A0A5K4FEU8_SCHMA Loading...

BAT2_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEU8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,370 aa.

						>A0A5K4FEU8_SCHMA|A0A5K4FEU8
MSSKVKSEKTKVKFAQSNINHVYKGNTTEPQHKPTVRQYGMQVVGKLQGTRRLPPPAWVPSIKAETGGLDSRVSLVPAGGGGWGAPSTSSADQPPVSSTTTDSLPVVSTLPSVNGALYSETVGNSLEPAYTKFAYGNSDMGVTGVSTLKDTSVGVNGPVKTNKTEEAVKDKVSSQLLKPPSDKPGSSGGLAANKPFFQRPTPIVTTSSTATTTSKSEIPTKVDGGAREIVGEPSGWVAIGQDEPDFDERIIFSDDEEYEVKPVRSTTTTNISEQSAQFLIPPPSTVKTSLHAMPMKPFVNPSTNLQGACVIQSQSTVSQNMYGSNLMTSNTWSAADVSYTRNCSVSHPGPPPLNLPYSIASINTCGITSDANRSLPSGQFMNHVTSPGVIDSFYSTHPLQSRLAVSIASGITDSVRSATDVDAELQQAQRQARTQEFKNAVERAQQARARQKLSESCSVENDNMLPKSALGLLPSMSENRPFPLVSAPFTTTACQPDPNCLFPMGDHSSVNHMLSTPPPNMLPAFPTSGPLDITAAIAAATAAAIAYTGGADSGVPERSRTEMPLSVPSVIPQTQVPMPVSSNTVTAGTWQTQFGSNNSMPAAMVRLLSQQPLMAQLLQNALKMSAGNSQVPKSTQNPQGAFLNPDFSVERFLEIFNQSQMNWPQGPPISSPKNTLSSESNTQVTISTMRHDQSSTSTVDSCLRSQFASTTSIPGNPDGTVGSQNVKESDGSSEKTRRVHRVSQSSSRSDVPVVTTSSTVTSSNSPSQRTTRVPGLMDIKVSCASSQHLAHLWDKEDHLLEPVSRGFRGRGKSLISYKPQRGSAKGRGTSKSHLLEAVTGDLKSMDLRESNDPHYSADDYDVSHRSHSVSKSSKSWRSKPSHSVDDSVIDAYNMNSRVKSGLTDDEHMRYRKQVRNITDDSCWTRTDLDNNSSPSVLSSESENNECGVLSDVQEGDGTEDDKRYNRFHTESGKKRSQHLSKFSHPNQAGVSDNKDKNKSLSTSYNRRGRRGRVGTNSHFTSSRSYTTDDFSSYSKRYSKGSEQDYYWRQYYGSGSRGVRTGHSAGMNIDQYKNHSNDDIFYRPSERQASRSITSGSFTGISGYFGGRMTRSYAQYESSRDQNKDLDSQYYVTNGRQMRPQKMYYSHKGQFSSATDFSHEYVASDNDENRSHGRSTNYPDSKAKVYAVSGRFHKTYRKNPTNTTTKSELNTQPHIDTEQVAKLTLDSTNSQIEGIDDPEVPTVRVPASDSVIMNAQYTKMRTNRFATHKVLGTSKRVSNRAGQNHQSKRLNGSVIHTTRRYREMRDRYNDEKDGDGGAAAGGAGRSGTSSGVSASIIFKTGTGGNSNSRGGNQCSGNGGHTDSAVDFVDQGKQSNNSEVVSNTANDPLDENNMNSRSLTRRRQAVGTSSRPAAGGIALQTECSKVSSSPSVISGTVQKNEKSHLSGGSSTNQHSAYRSNTRASRCGTTFYHKRNDMSSIPPLMSIKPHASFPENSYAVDSLSTWANRTERKSETVSKDDSDKFSQSRKEFYEVNQDTFEEDTPHGDGFTKVVSKASKYFARRRMQQEVSVSGDLSTRRSNGFSRNIGNVTQVYSKEGSTLTTTLSQNYVHTNDHKSQSSGLLRSLSGKKKCLPTKVSFMGPPLCLDATSSVCTVTTSILSGQTNQPVPCSSSLSATPTSSVLQKISFSTTRTWSKVVGTKFAKVPPENHGDSTKTSSSVLLNSNSVWQTEHSNHVITEESNEDKKLLDNTATTTTSNTDSVVKCSYASMQSLWSIGDSIPQANKNHSTNSTLLLASSTVQGTVVPSVGPLCTVSPSTTFSSQISNNICKVKPQQQQLLQVTSISPLISTSMHLNLLSPSNNNIIENISTADLIAETERSDFECCGDIGRPNALLRPHTSDNLQNLTTLSSNAFQSWSSSNALYTPFSLSNVPINRHESNMFSGNVWPTADQSMDMNINCMTGSYNTNSNQPHFQNQLSSNILSSVLTHNNTTPSLDGMTKQSNISITPRQQHIQSYQNSILTPADRVNIYSSGPYGNNSTELGKLSNNLCVPSQQMTYVSAAPSLYVHPQSTAIQPAPSRSFHHSLSIPIQSQMSQARKCRQQVPHQMDPSTFTAGYTSFPTDIKNEYNFPPSIAGCIPPPPSVGLYSAIHQSNYPQNSGRHAIGFPTTVNSYSLLGNPSATSNLQAAGQPYAPAIGPAAGNGGGLLPHPVPQGGYNNTPCHFPTPITSNSVSNYANASNYVGVIGGGRPNTDHSNATVRQRGLQHHNLFPHPNLPQSPSAQGQQSFQLPSSFYPSISPSHQRVSLQQFGGTSRAAITGPINPQNGLYGPAFGGASHPPNQATPPPIGHQLNPIGFYSNQFQYPSRPDGLH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	36.6	Very low	155 Å²	155	97.9 Å²	97.9	76%	0.764	51%	0.51	S	S	*	.				0	127.5	0	-74.8	129.4	80.7	0	0	106.7
2	S	38.2	Very low	36.9	Very low	89 Å²	89	97.4 Å²	97.4	62%	0.622	51%	0.514	S	S	*	.				66.8	129.9	72.8	-170.5	0	0	0	0	112.7
3	S	33	Very low	37.1	Very low	48 Å²	48	99.3 Å²	99.3	34%	0.336	52%	0.515	S	S	.	.			cis	-165.1	-179.5	-17.4	62.3	0	0	0	0	110.9	H1708	S3-H1708 PolarHBondContact O-CE1 2.56Å; S3-H1708 PolarHBondContact O-ND1 3.32Å
4	K	37.4	Very low	37.3	Very low	139 Å²	139	98.4 Å²	98.4	60%	0.604	51%	0.505	S	S	*	.			trans	41.8	117.8	150.7	-64.2	155.3	-168.8	164.2	0	118.5
5	V	32.5	Very low	37.8	Very low	83 Å²	83	98.1 Å²	98.1	50%	0.503	52%	0.524	S	S	.	.				60.9	108.9	51.7	-173.9	0	0	0	0	114.6
6	K	35.2	Very low	38.1	Very low	131 Å²	131	103.9 Å²	103.9	57%	0.57	55%	0.547	S	S	*	.				-158.6	135.9	124.5	-142.5	124.3	-70.2	-160.3	0	114.7	Q1682 K1683	K6-Q1682 WeakPolarHBondContact CE-O 3.5Å; K6-Q1682 PolarHBondContact NZ-O 3.21Å; K6-K1683 VanDerWaalsContact CD-O 3.25Å; K6-K1683 WeakPolarHBondContact CD-O 2.63Å; K6-K1683 WeakPolarHBondContact CE-O 2.88Å; K6-K1683 PolarHBondContact NZ-O 3.19Å
7	S	29.3	Very low	38.4	Very low	97 Å²	97	104.9 Å²	104.9	68%	0.678	56%	0.564	S	S	*	*			trans	-126.6	158	162.7	62.9	0	0	0	0	107.6
8	E	36.1	Very low	38.9	Very low	61 Å²	61	105.7 Å²	105.7	29%	0.285	57%	0.568	S	S	.	*			trans	-146.5	142.8	150.3	-160.3	80.7	171.9	0	0	112	T10 I1684	E8-T10 VanDerWaalsContact CD-OG1 3.27Å; E8-T10 WeakPolarHBondContact CG-OG1 3.31Å; E8-T10 PolarHBondContact OE1-OG1 2.99Å; E8-I1684 WeakPolarHBondContact OE2-CA 3.29Å; E8-I1684 PolarHBondContact OE2-N 3.47Å
9	K	35	Very low	39.3	Very low	124 Å²	124	107.2 Å²	107.2	54%	0.539	58%	0.575	S	S	.	*			trans	-142.3	115.8	154.1	-52.3	171.4	-168.6	170.2	0	106.3	Q820 R821	K9-Q820 PolarHBondContact NZ-O 2.88Å; K9-R821 VanDerWaalsContact CE-O 3.31Å; K9-R821 WeakPolarHBondContact CE-O 3.49Å; K9-R821 PolarHBondContact NZ-O 2.62Å
10	T	46.4	Very low	39.7	Very low	30 Å²	30	108.5 Å²	108.5	18%	0.184	58%	0.581	C	S	.	*			trans	-131.3	92.2	-171.7	-74.5	0	0	0	0	115.5	E8 S1687	E8-T10 VanDerWaalsContact CD-OG1 3.27Å; E8-T10 WeakPolarHBondContact CG-OG1 3.31Å; E8-T10 PolarHBondContact OE1-OG1 2.99Å; T10-S1687 WeakPolarHBondContact O-CA 3.38Å
11	K	41.2	Very low	40.2	Very low	120 Å²	120	112.1 Å²	112.1	52%	0.522	59%	0.594	S	S	.	*				56.3	153.4	126.6	-57.2	165.4	-162.8	156.1	0	117.5	T1689	K11-T1689 VanDerWaalsContact CA-OG1 3.31Å; K11-T1689 WeakPolarHBondContact CA-OG1 3.27Å; K11-T1689 PolarHBondContact N-OG1 2.85Å; K11-T1689 PolarHBondContact O-OG1 2.91Å
12	V	40.1	Very low	40.6	Very low	92 Å²	92	108 Å²	108	56%	0.558	58%	0.578	S	S	*	*				-153.2	144.2	54.1	175.7	0	0	0	0	113.7	T1689 R1690	V12-T1689 PolarHBondContact N-OG1 2.97Å; V12-R1690 VanDerWaalsContact O-CZ 3.23Å; V12-R1690 PolarHBondContact O-NE 2.72Å; V12-R1690 PolarHBondContact O-NH2 2.93Å
13	K	39.9	Very low	40.7	Very low	122 Å²	122	110.1 Å²	110.1	53%	0.53	57%	0.573	S	S	.	*			trans	-14.8	177.7	145.5	-48.6	-176.4	160.2	-162.6	0	119.8	R1690 W1692	K13-R1690 PolarHBondContact O-NH2 2.76Å; K13-W1692 HydrophobicContact CB-CZ2 4.17Å; K13-W1692 HydrophobicContact CD-CZ2 3.61Å; K13-W1692 VanDerWaalsContact CE-CZ2 3.49Å; K13-W1692 HydrophobicContact CG-CZ2 3.65Å
14	F	39.3	Very low	41.1	Very low	86 Å²	86	116.5 Å²	116.5	38%	0.377	60%	0.595	S	S	.	*				-179.5	151.2	-51.2	-107.3	-71	0	0	0	107.3	R1690 T1691 W1692	F14-R1690 HydrophobicContact CE2-CG 4.1Å; F14-T1691 WeakPolarHBondContact CE2-O 3.48Å; F14-T1691 WeakPolarHBondContact CZ-O 3.47Å; F14-W1692 HydrophobicContact CB-CH2 4.34Å; F14-W1692 HydrophobicContact CB-CZ2 4.03Å; F14-W1692 AromaticContact CD2-CD1 3.89Å; F14-W1692 AromaticContact CD2-CD2 3.92Å; F14-W1692 HydrophobicContact CD2-CD2 3.92Å; F14-W1692 AromaticContact CD2-CE2 3.29Å; F14-W1692 HydrophobicContact CD2-CG 4.26Å; F14-W1692 HydrophobicContact CD2-CH2 4.25Å; F14-W1692 AromaticContact CD2-CZ2 3.47Å; F14-W1692 HydrophobicContact CD2-CZ2 3.47Å; F14-W1692 VanDerWaalsContact CD2-CZ2 3.47Å; F14-W1692 AromaticContact CD2-NE1 3.33Å; F14-W1692 VanDerWaalsContact CD2-NE1 3.33Å; F14-W1692 AromaticContact CE2-CD1 3.43Å; F14-W1692 VanDerWaalsContact CE2-CD1 3.43Å; F14-W1692 AromaticContact CE2-CD2 3.83Å; F14-W1692 HydrophobicContact CE2-CD2 3.83Å; F14-W1692 AromaticContact CE2-CE2 3.61Å; F14-W1692 AromaticContact CE2-CG 3.72Å; F14-W1692 HydrophobicContact CE2-CG 3.72Å; F14-W1692 HydrophobicContact CE2-CZ2 4.25Å; F14-W1692 AromaticContact CE2-NE1 3.4Å; F14-W1692 HydrophobicContact CG-CH2 4.48Å; F14-W1692 HydrophobicContact CG-CZ2 4.04Å; F14-W1692 HydrophobicContact CZ-CG 4.48Å
15	A	44.8	Very low	41.2	Very low	95 Å²	95	112.3 Å²	112.3	79%	0.785	59%	0.591	S	S	*	*			trans	-165.3	170.3	158.9	0	0	0	0	0	109.6
16	Q	42.5	Very low	41.4	Very low	191 Å²	191	114.9 Å²	114.9	89%	0.893	60%	0.602	S	S	*	*				-154.9	149.1	-94.6	174.2	170.6	-19.7	0	0	108.5
17	S	43.4	Very low	41.8	Very low	121 Å²	121	113.3 Å²	113.3	85%	0.846	60%	0.604	S	S	*	*			trans	-142.8	158	172.6	64.1	0	0	0	0	112.3
18	N	47.7	Very low	42	Very low	119 Å²	119	111.5 Å²	111.5	64%	0.636	59%	0.589	S	S	*	*			trans	-92.7	154.9	-155.2	-163.1	-47.9	0	0	0	113.5	N20	N18-N20 PolarHBondContact O-N 3.4Å; N18-N20 VanDerWaalsContact O-N 3.12Å
19	I	46.5	Very low	41.8	Very low	134 Å²	134	115.9 Å²	115.9	69%	0.687	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-66.9	-13.4	-168.7	-140.1	161	0	0	0	114.5	H21 V22	I19-H21 PolarHBondContact O-N 2.75Å; I19-V22 PolarHBondContact O-N 3.09Å; I19-V22 VanDerWaalsContact O-N 3.13Å
20	N	46.6	Very low	41.8	Very low	132 Å²	132	114.9 Å²	114.9	71%	0.706	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-55.7	-18	177.7	-77.4	-20.4	0	0	0	114.7	N18	N18-N20 PolarHBondContact O-N 3.4Å; N18-N20 VanDerWaalsContact O-N 3.12Å
21	H	50.1	Low	41	Very low	185 Å²	185	121.7 Å²	121.7	86%	0.856	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-84	-7.9	178.5	-90	-117.8	0	0	0	115.8	I19	I19-H21 PolarHBondContact O-N 2.75Å
22	V	46.8	Very low	40.8	Very low	70 Å²	70	124.2 Å²	124.2	42%	0.424	66%	0.658	S	S	.	*	S	Bend	trans	-96	-13.1	-179.5	-172.7	0	0	0	0	112.3	I19	I19-V22 PolarHBondContact O-N 3.09Å; I19-V22 VanDerWaalsContact O-N 3.13Å
23	Y	41.2	Very low	40.5	Very low	132 Å²	132	128.5 Å²	128.5	52%	0.518	67%	0.669	S	S	.	*	S	Bend	trans	-118.1	59.6	-168	-114.7	-127.3	0	0	0	115.4	G809 R810	Y23-G809 VanDerWaalsContact OH-CA 3.25Å; Y23-G809 WeakPolarHBondContact OH-CA 3.44Å; Y23-R810 HydrophobicContact CD2-CB 4.04Å; Y23-R810 HydrophobicContact CD2-CG 4.31Å; Y23-R810 HydrophobicContact CE2-CB 3.65Å; Y23-R810 HydrophobicContact CE2-CG 4.03Å; Y23-R810 VanDerWaalsContact CG-NH1 3.26Å; Y23-R810 VanDerWaalsContact O-CZ 3.31Å; Y23-R810 PolarHBondContact O-NH1 2.73Å
24	K	40.5	Very low	40.4	Very low	183 Å²	183	128.4 Å²	128.4	80%	0.796	68%	0.682	S	S	*	*	S	Bend	trans	-152.3	141.3	143.5	-105.7	175.8	-177.5	177.2	0	109.2
25	G	40	Very low	40.2	Very low	51 Å²	51	130.2 Å²	130.2	53%	0.526	70%	0.7	S	S	.	*			trans	-84.7	-175.6	-176.2	0	0	0	0	0	113.6
26	N	37.4	Very low	39.7	Very low	136 Å²	136	131 Å²	131	73%	0.727	70%	0.695	S	S	*	*			cis	-138.6	-158.9	29.3	-78.4	-17.4	0	0	0	114.8	K812	N26-K812 PolarHBondContact O-NZ 2.78Å
27	T	42.4	Very low	39	Very low	98 Å²	98	131.7 Å²	131.7	60%	0.601	69%	0.689	S	S	*	*			trans	-144.6	177.3	-144.8	46.1	0	0	0	0	113.7
28	T	33.5	Very low	38.7	Very low	60 Å²	60	133.3 Å²	133.3	37%	0.368	68%	0.683	S	S	.	*			trans	-122.8	127.6	-170.4	58.9	0	0	0	0	112.3	L305 Q306	T28-L305 VanDerWaalsContact CG2-O 3.26Å; T28-L305 WeakPolarHBondContact CG2-O 2.92Å; T28-Q306 WeakPolarHBondContact CA-O 3.41Å; T28-Q306 VanDerWaalsContact CB-O 3.28Å; T28-Q306 WeakPolarHBondContact CB-O 3.27Å; T28-Q306 HydrophobicContact CG2-CB 3.83Å; T28-Q306 WeakPolarHBondContact CG2-O 3.14Å
29	E	32.4	Very low	38	Very low	152 Å²	152	137.3 Å²	137.3	71%	0.71	69%	0.691	S	S	*	*			trans	56.1	176.3	159.7	-86.2	-164.8	102.4	0	0	119.7
30	P	36.3	Very low	37.7	Very low	103 Å²	103	134.5 Å²	134.5	67%	0.669	70%	0.695	S	S	*	*			cis	-129.3	-160.3	-33.4	32	-11.3	0	0	0	113.7
31	Q	29.5	Very low	37.3	Very low	173 Å²	173	136.1 Å²	136.1	81%	0.808	70%	0.7	S	S	*	*			trans	-21.2	156.4	169.4	-52.3	176.2	14.1	0	0	118.8
32	H	36.2	Very low	36.9	Very low	173 Å²	173	134.9 Å²	134.9	80%	0.801	70%	0.695	S	S	*	*			cis	-158.3	172.8	35.1	-166.4	-94.6	0	0	0	113.2
33	K	34.4	Very low	36.6	Very low	182 Å²	182	137.4 Å²	137.4	79%	0.791	71%	0.71	S	S	*	*			trans	-92.2	164.5	176.2	-64.1	-176.5	173.8	-178.7	0	113.1
34	P	37.4	Very low	36.5	Very low	121 Å²	121	138 Å²	138	79%	0.786	73%	0.727	S	S	*	*				-152.1	-158.8	91	38.8	-17.5	0	0	0	115.2
35	T	35.7	Very low	36.2	Very low	123 Å²	123	132.4 Å²	132.4	76%	0.755	72%	0.721	S	S	*	*			trans	94.1	-162.4	163	-38.8	0	0	0	0	116.9
36	V	32.4	Very low	36.5	Very low	113 Å²	113	140 Å²	140	69%	0.685	74%	0.739	S	S	*	*			trans	-165.2	151.8	-131.8	149.8	0	0	0	0	107.9
37	R	29.5	Very low	36.6	Very low	204 Å²	204	141.1 Å²	141.1	77%	0.77	75%	0.745	S	S	*	*			cis	-169.4	158.6	-18.7	-92.7	177.5	-167	169.8	2.1	106.2
38	Q	37.1	Very low	36.1	Very low	155 Å²	155	144.8 Å²	144.8	72%	0.724	76%	0.755	S	S	*	*				156.5	118.5	118.1	-85.2	-168.7	-23	0	0	115
39	Y	32.4	Very low	36	Very low	204 Å²	204	145.2 Å²	145.2	80%	0.8	77%	0.772	S	S	*	*			trans	57.1	137.2	154.1	-51.4	-61.5	0	0	0	123.1
40	G	40.4	Very low	36.2	Very low	75 Å²	75	144.5 Å²	144.5	77%	0.773	78%	0.778	S	S	*	*			trans	143.6	105.6	-172.5	0	0	0	0	0	109.5
41	M	38.2	Very low	36.2	Very low	166 Å²	166	150.4 Å²	150.4	82%	0.818	79%	0.787	S	S	*	*			trans	-80.7	167.2	-173.3	-71.2	156.4	50.9	0	0	111.4
42	Q	41.1	Very low	36.6	Very low	158 Å²	158	154 Å²	154	74%	0.738	79%	0.793	S	S	*	*			cis	-160.1	144.4	27.5	-157.8	159	-2	0	0	113.8
43	V	40.2	Very low	36.8	Very low	124 Å²	124	153.6 Å²	153.6	75%	0.752	80%	0.796	S	S	*	*			trans	41.3	114.5	150.8	178.1	0	0	0	0	120.8
44	V	39.3	Very low	37.2	Very low	145 Å²	145	149.9 Å²	149.9	88%	0.879	79%	0.79	S	S	*	*				-140.3	134.1	100	-179	0	0	0	0	108.2
45	G	34.1	Very low	37.5	Very low	64 Å²	64	149.6 Å²	149.6	66%	0.66	79%	0.788	S	S	*	*			trans	-80.1	148.3	-171.5	0	0	0	0	0	115.6
46	K	46.1	Very low	37.8	Very low	210 Å²	210	149.3 Å²	149.3	91%	0.913	79%	0.789	S	S	*	*			trans	-125.9	105.5	149.1	-73.5	-172.7	178.2	-179.2	0	107.5
47	L	40	Very low	37.9	Very low	161 Å²	161	148 Å²	148	84%	0.843	79%	0.79	S	S	*	*			trans	-67.4	161.2	-179.2	-97.6	120.4	0	0	0	112.3
48	Q	32.5	Very low	38.3	Very low	174 Å²	174	149.1 Å²	149.1	81%	0.813	79%	0.794	S	S	*	*			trans	-53.8	159.7	162.9	-62.5	131.7	-28.2	0	0	110.3
49	G	31.2	Very low	38.5	Very low	70 Å²	70	145.8 Å²	145.8	72%	0.722	78%	0.784	S	S	*	*			cis	123.9	60.8	12.8	0	0	0	0	0	110.4
50	T	35.8	Very low	38.9	Very low	137 Å²	137	141.2 Å²	141.2	84%	0.84	78%	0.78	S	S	*	*			trans	-108	98.7	-176.4	-54.7	0	0	0	0	111.6
51	R	37.6	Very low	39.1	Very low	227 Å²	227	140.2 Å²	140.2	86%	0.857	76%	0.761	S	S	*	*			trans	37	109.4	144.5	-59.1	-178.1	178.2	-134.9	-2.8	118.9	L53	R51-L53 PolarHBondContact O-N 3.26Å
52	R	37.3	Very low	39.6	Very low	247 Å²	247	137.6 Å²	137.6	93%	0.932	75%	0.749	S	S	*	*			trans	45.5	72.5	135.7	-59.3	-174.7	178.6	-161.7	-0.1	116.8
53	L	39.1	Very low	39.9	Very low	166 Å²	166	136.9 Å²	136.9	87%	0.869	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-67.1	139.3	135.7	-67.8	175.2	0	0	0	107.7	R51	R51-L53 PolarHBondContact O-N 3.26Å
54	P	43.5	Very low	40.2	Very low	103 Å²	103	134.3 Å²	134.3	67%	0.669	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-62.7	152.4	172	28.2	-34.2	0	0	0	109.8
55	P	42.7	Very low	40.8	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-57	129.9	169.1	26.1	-33.2	0	0	0	108.3	A57	P55-A57 PolarHBondContact O-N 2.95Å
56	P	43.1	Very low	41.4	Very low	117 Å²	117	136 Å²	136	76%	0.76	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-52.4	130.2	176.2	-27.6	35.5	0	0	0	110	W58	P56-W58 PolarHBondContact O-N 2.69Å
57	A	35.5	Very low	41	Very low	87 Å²	87	128.6 Å²	128.6	72%	0.719	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-50.7	140.7	-179.7	0	0	0	0	0	109.9	P55 V59	P55-A57 PolarHBondContact O-N 2.95Å; A57-V59 VanDerWaalsContact C-N 3.33Å; A57-V59 WeakPolarHBondContact O-CG2 3.19Å; A57-V59 PolarHBondContact O-N 2.88Å
58	W	37.4	Very low	41.3	Very low	226 Å²	226	124.4 Å²	124.4	86%	0.856	70%	0.703	S	S	*	*			trans	-61.1	88.1	-170.4	-77.9	10.3	0	0	0	112.5	P56 P60	P56-W58 PolarHBondContact O-N 2.69Å; W58-P60 VanDerWaalsContact O-CD 3.26Å; W58-P60 WeakPolarHBondContact O-CD 3.4Å
59	V	40.8	Very low	41.9	Very low	85 Å²	85	122.9 Å²	122.9	52%	0.515	70%	0.7	S	S	.	*			trans	-68	119.1	170	-173.3	0	0	0	0	107.5	A57 S61 I62	A57-V59 VanDerWaalsContact C-N 3.33Å; A57-V59 WeakPolarHBondContact O-CG2 3.19Å; A57-V59 PolarHBondContact O-N 2.88Å; V59-S61 PolarHBondContact O-N 3.28Å; V59-I62 PolarHBondContact O-N 3.16Å
60	P	40.4	Very low	42.9	Very low	109 Å²	109	123.8 Å²	123.8	71%	0.708	69%	0.689	S	S	*	*	H	α-helix	trans	-62	-16.6	-176.9	-26.4	36.9	0	0	0	114.3	W58 A64	W58-P60 VanDerWaalsContact O-CD 3.26Å; W58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-A64 PolarHBondContact O-N 3.28Å
61	S	44.4	Very low	44	Very low	54 Å²	54	123 Å²	123	38%	0.378	69%	0.689	S	S	.	*	H	α-helix	trans	-60.1	-49.1	176.1	85	0	0	0	0	111.9	V59 K63 A64 E65	V59-S61 PolarHBondContact O-N 3.28Å; S61-K63 PolarHBondContact O-N 3.3Å; S61-K63 VanDerWaalsContact O-N 3.12Å; S61-A64 CarbonylContact O-C 3.6Å; S61-A64 WeakPolarHBondContact O-CA 3.3Å; S61-A64 WeakPolarHBondContact O-CB 3.07Å; S61-A64 PolarHBondContact O-N 2.7Å; S61-E65 WeakPolarHBondContact CB-OE1 3.25Å; S61-E65 VanDerWaalsContact O-CG 3.28Å; S61-E65 WeakPolarHBondContact O-CG 3.31Å; S61-E65 PolarHBondContact O-N 3.27Å; S61-E65 PolarHBondContact OG-OE1 3.2Å
62	I	49.7	Very low	44.6	Very low	111 Å²	111	122.5 Å²	122.5	57%	0.569	69%	0.687	S	S	*	*	H	α-helix	trans	-64.2	-28.6	-172.5	-66.4	178.1	0	0	0	111.7	V59 E65 T66	V59-I62 PolarHBondContact O-N 3.16Å; I62-E65 PolarHBondContact N-OE1 3.32Å; I62-T66 PolarHBondContact O-N 2.82Å; I62-T66 VanDerWaalsContact O-N 3.14Å; I62-T66 PolarHBondContact O-OG1 3Å
63	K	46.9	Very low	45.3	Very low	143 Å²	143	114.8 Å²	114.8	62%	0.622	67%	0.667	S	S	*	*	H	α-helix	trans	-78.7	-18.1	171.6	-109	179.4	179.1	174.5	0	114.2	S61 G67	S61-K63 PolarHBondContact O-N 3.3Å; S61-K63 VanDerWaalsContact O-N 3.12Å; K63-G67 WeakPolarHBondContact O-CA 3.08Å; K63-G67 PolarHBondContact O-N 3.17Å
64	A	45.9	Very low	46	Very low	69 Å²	69	111.3 Å²	111.3	57%	0.57	66%	0.656	S	S	*	*	H	α-helix	trans	-86.8	-30.9	168.6	0	0	0	0	0	112.5	P60 S61 T66	P60-A64 PolarHBondContact O-N 3.28Å; S61-A64 CarbonylContact O-C 3.6Å; S61-A64 WeakPolarHBondContact O-CA 3.3Å; S61-A64 WeakPolarHBondContact O-CB 3.07Å; S61-A64 PolarHBondContact O-N 2.7Å; A64-T66 VanDerWaalsContact C-N 3.32Å
65	E	52.2	Low	46.7	Very low	130 Å²	130	112.6 Å²	112.6	61%	0.607	66%	0.657	S	S	*	*	H	α-helix	trans	-75	-21.5	175.8	-61.7	169.7	-107.4	0	0	112.2	S61 I62	S61-E65 WeakPolarHBondContact CB-OE1 3.25Å; S61-E65 VanDerWaalsContact O-CG 3.28Å; S61-E65 WeakPolarHBondContact O-CG 3.31Å; S61-E65 PolarHBondContact O-N 3.27Å; S61-E65 PolarHBondContact OG-OE1 3.2Å; I62-E65 PolarHBondContact N-OE1 3.32Å
66	T	48.1	Very low	47.3	Very low	114 Å²	114	111.9 Å²	111.9	70%	0.699	65%	0.65	S	S	*	*	S	Bend	trans	-113.5	-8.3	173.5	56.7	0	0	0	0	114.4	I62 A64	I62-T66 PolarHBondContact O-N 2.82Å; I62-T66 VanDerWaalsContact O-N 3.14Å; I62-T66 PolarHBondContact O-OG1 3Å; A64-T66 VanDerWaalsContact C-N 3.32Å
67	G	38	Very low	47.5	Very low	56 Å²	56	108.8 Å²	108.8	58%	0.577	63%	0.63	S	S	*	*	S	Bend	trans	-116.4	74.3	178.8	0	0	0	0	0	112	K63	K63-G67 WeakPolarHBondContact O-CA 3.08Å; K63-G67 PolarHBondContact O-N 3.17Å
68	G	44.3	Very low	47.8	Very low	72 Å²	72	109.7 Å²	109.7	74%	0.742	64%	0.638	S	S	*	*	S	Bend	trans	172.6	-14.9	179.5	0	0	0	0	0	116.5	D70	G68-D70 PolarHBondContact O-N 2.67Å
69	L	46.7	Very low	47.7	Very low	143 Å²	143	102 Å²	102	75%	0.749	63%	0.629	S	S	*	*			trans	-83.8	98.8	173	-72.1	171.2	0	0	0	110.5	S71	L69-S71 PolarHBondContact O-N 3.17Å
70	D	52.6	Low	47.5	Very low	89 Å²	89	102 Å²	102	48%	0.476	65%	0.646	S	S	.	*			trans	-62.9	121.1	164.8	-176.6	-6.2	0	0	0	109.1	G68 R72 V73	G68-D70 PolarHBondContact O-N 2.67Å; D70-R72 PolarHBondContact O-N 3.49Å; D70-R72 VanDerWaalsContact OD1-CB 3.32Å; D70-R72 WeakPolarHBondContact OD1-CB 3.35Å; D70-R72 WeakPolarHBondContact OD1-CG 3.43Å; D70-R72 PolarHBondContact OD1-N 3.37Å; D70-V73 PolarHBondContact O-N 2.85Å
71	S	57.6	Low	47.4	Very low	121 Å²	121	100.9 Å²	100.9	85%	0.846	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-8.7	178.5	55.4	0	0	0	0	114.2	L69	L69-S71 PolarHBondContact O-N 3.17Å
72	R	50.4	Low	47.2	Very low	215 Å²	215	101.5 Å²	101.5	81%	0.811	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-1.2	177.6	-63.1	166.6	174.2	158.1	-1.1	114.5	D70	D70-R72 PolarHBondContact O-N 3.49Å; D70-R72 VanDerWaalsContact OD1-CB 3.32Å; D70-R72 WeakPolarHBondContact OD1-CB 3.35Å; D70-R72 WeakPolarHBondContact OD1-CG 3.43Å; D70-R72 PolarHBondContact OD1-N 3.37Å
73	V	52	Low	46.7	Very low	86 Å²	86	106.9 Å²	106.9	52%	0.521	68%	0.683	S	S	.	*			trans	-119.6	97	177.7	-172.9	0	0	0	0	111	D70 L75	D70-V73 PolarHBondContact O-N 2.85Å; V73-L75 PolarHBondContact O-N 3.39Å
74	S	54.2	Low	46.2	Very low	92 Å²	92	102.6 Å²	102.6	64%	0.643	68%	0.679	S	S	*	*			trans	-69.7	124.1	168.9	-175	0	0	0	0	110.3	V76	S74-V76 PolarHBondContact O-N 3.44Å; S74-V76 PolarHBondContact OG-N 2.95Å; S74-V76 PolarHBondContact OG-O 3.27Å
75	L	57.8	Low	45.6	Very low	131 Å²	131	101.7 Å²	101.7	69%	0.686	67%	0.671	S	S	*	*	S	Bend	trans	-76.9	1.9	176.8	-74.1	165.7	0	0	0	113.9	V73 M1563	V73-L75 PolarHBondContact O-N 3.39Å; L75-M1563 HydrophobicContact CD2-SD 4.37Å
76	V	56.3	Low	44.8	Very low	99 Å²	99	99.7 Å²	99.7	60%	0.6	67%	0.669	S	S	*	*	S	Bend	trans	-132.8	121.1	165.3	-175	0	0	0	0	108.1	S74	S74-V76 PolarHBondContact O-N 3.44Å; S74-V76 PolarHBondContact OG-N 2.95Å; S74-V76 PolarHBondContact OG-O 3.27Å
77	P	45.9	Very low	44.2	Very low	53 Å²	53	96.1 Å²	96.1	34%	0.344	65%	0.649	S	S	.	*			trans	-80.9	123	173.7	33.5	-32.6	0	0	0	109.4	G79 E1566 V1567	P77-G79 PolarHBondContact O-N 3.04Å; P77-E1566 HydrophobicContact CG-CB 4.24Å; P77-E1566 WeakPolarHBondContact CG-O 3.33Å; P77-V1567 HydrophobicContact CB-CB 3.68Å; P77-V1567 HydrophobicContact CB-CG1 4.11Å; P77-V1567 HydrophobicContact CB-CG2 3.68Å; P77-V1567 HydrophobicContact CG-CB 3.85Å; P77-V1567 HydrophobicContact CG-CG2 3.8Å
78	A	42.7	Very low	44	Very low	106 Å²	106	96.8 Å²	96.8	88%	0.876	64%	0.642	S	S	*	*			trans	-89	105.2	-165.4	0	0	0	0	0	113.3
79	G	35.6	Very low	43.3	Very low	65 Å²	65	96.1 Å²	96.1	67%	0.67	63%	0.626	S	S	*	*			trans	144.8	105.8	166.6	0	0	0	0	0	113.5	P77	P77-G79 PolarHBondContact O-N 3.04Å
80	G	36.5	Very low	42.5	Very low	84 Å²	84	94 Å²	94	87%	0.866	62%	0.623	S	S	*	*			trans	156.8	72.9	-179.7	0	0	0	0	0	112.4
81	G	38.6	Very low	41.5	Very low	85 Å²	85	94.1 Å²	94.1	88%	0.876	64%	0.636	S	S	*	*			trans	-82.4	117.8	-174.4	0	0	0	0	0	113.7
82	G	38.6	Very low	40.5	Very low	68 Å²	68	94.7 Å²	94.7	70%	0.701	63%	0.63	S	S	*	*			trans	88.3	114.5	153.8	0	0	0	0	0	117.3
83	W	40.3	Very low	39.5	Very low	224 Å²	224	91.8 Å²	91.8	85%	0.848	63%	0.626	S	S	*	*			trans	-123.4	103	150.9	-94.7	99.4	0	0	0	109.6
84	G	36.6	Very low	38.5	Very low	53 Å²	53	92.3 Å²	92.3	55%	0.546	63%	0.631	S	S	.	*			trans	-95.3	-6.8	172.1	0	0	0	0	0	114.1
85	A	33.7	Very low	37.6	Very low	50 Å²	50	93 Å²	93	41%	0.413	63%	0.634	S	S	.	*			trans	64.9	177.6	177	0	0	0	0	0	114.3	S2171 Y2172	A85-S2171 CarbonylContact O-C 3.35Å; A85-Y2172 PolarHBondContact O-N 3.47Å
86	P	35	Very low	36.3	Very low	87 Å²	87	93.1 Å²	93.1	57%	0.565	64%	0.639	S	S	*	*	B	Isolated β-bridge		-134.6	170.2	-82.4	39.9	-24.1	0	0	0	114.8
87	S	35.8	Very low	35.3	Very low	39 Å²	39	93.4 Å²	93.4	27%	0.273	65%	0.645	S	S	.	*			trans	67.6	96.2	137.7	70.6	0	0	0	0	123	S2173 L2174 L2175	S87-S2173 VanDerWaalsContact CA-O 3.25Å; S87-S2173 WeakPolarHBondContact CA-O 3.31Å; S87-S2173 PolarHBondContact N-O 2.87Å; S87-L2174 WeakPolarHBondContact CA-O 3.44Å; S87-L2174 VanDerWaalsContact CB-C 3.45Å; S87-L2174 WeakPolarHBondContact CB-O 3.21Å; S87-L2175 CarbonylContact C-O 2.93Å; S87-L2175 WeakPolarHBondContact CB-O 3.44Å; S87-L2175 CarbonylContact O-C 3.49Å; S87-L2175 PolarHBondContact OG-O 3.33Å
88	T	33.2	Very low	34.5	Very low	71 Å²	71	94.7 Å²	94.7	44%	0.436	66%	0.656	S	S	.	*			trans	-150.5	141.9	141.6	-67.7	0	0	0	0	111.6	L2174 L2175 G2176 N2177	T88-L2174 VanDerWaalsContact N-C 3.31Å; T88-L2174 VanDerWaalsContact N-N 3.12Å; T88-L2174 WeakPolarHBondContact O-CA 3.04Å; T88-L2174 PolarHBondContact O-N 3.39Å; T88-L2175 PolarHBondContact O-N 2.84Å; T88-G2176 PolarHBondContact OG1-O 3.31Å; T88-N2177 HydrophobicContact CG2-CB 4.2Å
89	S	29.3	Very low	34.2	Very low	57 Å²	57	93.5 Å²	93.5	40%	0.399	64%	0.638	S	S	.	*			trans	-90.7	-174.8	-165.2	53.1	0	0	0	0	112.9
90	S	30.6	Very low	33.9	Very low	99 Å²	99	96.4 Å²	96.4	69%	0.692	64%	0.643	S	S	*	*			cis	-162	177.2	23.4	-38.4	0	0	0	0	111.7
91	A	31	Very low	33.7	Very low	91 Å²	91	98.1 Å²	98.1	75%	0.752	64%	0.637	S	S	*	*			trans	73.3	150.9	158.8	0	0	0	0	0	117.5
92	D	37.4	Very low	33.2	Very low	134 Å²	134	98.8 Å²	98.8	72%	0.717	62%	0.62	S	S	*	*			cis	-148.4	160.9	1.9	-141.9	-4.7	0	0	0	117.2
93	Q	28.6	Very low	32.8	Very low	153 Å²	153	99 Å²	99	72%	0.715	61%	0.611	S	S	*	*			trans	60.3	137.9	159.5	-69.5	-64.4	-65.4	0	0	121
94	P	31.6	Very low	33	Very low	97 Å²	97	95.8 Å²	95.8	63%	0.63	61%	0.609	S	S	*	*				-142.5	-129.5	-120.8	41.7	-16.2	0	0	0	111.8
95	P	34.9	Very low	33.1	Very low	108 Å²	108	98.1 Å²	98.1	70%	0.701	62%	0.615	S	S	*	*			trans	-88.2	176.1	-171.2	41.1	-40.6	0	0	0	112.8
96	V	30.9	Very low	32.7	Very low	133 Å²	133	101.1 Å²	101.1	81%	0.806	63%	0.628	S	S	*	*				-148	145.4	129.2	-108.8	0	0	0	0	111.1
97	S	34.4	Very low	32.3	Very low	104 Å²	104	101.4 Å²	101.4	73%	0.727	63%	0.628	S	S	*	*			trans	61.7	144.4	142.3	-63.7	0	0	0	0	122.3
98	S	29.8	Very low	32.4	Very low	80 Å²	80	105.1 Å²	105.1	56%	0.559	65%	0.654	S	S	*	*			cis	168.5	-171.3	-31.9	47	0	0	0	0	107.2
99	T	35.3	Very low	32.9	Very low	82 Å²	82	107.8 Å²	107.8	50%	0.503	67%	0.67	S	S	.	*			trans	53.4	93.7	145	44.6	0	0	0	0	117.2	R1583	T99-R1583 PolarHBondContact O-NH2 2.83Å
100	T	29.6	Very low	33	Very low	125 Å²	125	111 Å²	111	77%	0.767	68%	0.682	S	S	*	*	S	Bend		-24.4	150.1	118.7	43.2	0	0	0	0	113.7
101	T	31.9	Very low	32.9	Very low	121 Å²	121	111 Å²	111	74%	0.742	68%	0.68	S	S	*	*			trans	54.3	89.2	173.4	55.5	0	0	0	0	115.1
102	D	28	Very low	33.1	Very low	98 Å²	98	111.4 Å²	111.4	52%	0.524	68%	0.677	S	S	.	*				-78.6	127.9	111	-85.8	-47.8	0	0	0	105.6	R1583	D102-R1583 WeakPolarHBondContact OD2-CD 3.14Å; D102-R1583 IonicContact OD2-CZ 2.7Å; D102-R1583 IonicContact OD2-NE 2.62Å; D102-R1583 IonicContact OD2-NH1 2.67Å; D102-R1583 PolarHBondContact OD2-NH1 3.24Å
103	S	30.1	Very low	33.1	Very low	73 Å²	73	110.6 Å²	110.6	51%	0.51	68%	0.677	S	S	.	*				65.4	98	59.4	103.2	0	0	0	0	110.3	P105	S103-P105 WeakPolarHBondContact O-CD 3.3Å
104	L	45.6	Very low	33	Very low	156 Å²	156	110.7 Å²	110.7	82%	0.817	68%	0.682	S	S	*	*			trans	-67.9	136.2	149.2	-64.8	161.5	0	0	0	106.1	V106	L104-V106 VanDerWaalsContact O-CG2 3.26Å; L104-V106 WeakPolarHBondContact O-CG2 3.49Å
105	P	37.7	Very low	33	Very low	102 Å²	102	109.6 Å²	109.6	66%	0.662	69%	0.689	S	S	*	*			trans	-91.7	89.4	142	30.2	-25.4	0	0	0	106.7	S103	S103-P105 WeakPolarHBondContact O-CD 3.3Å
106	V	26.1	Very low	32.7	Very low	114 Å²	114	108.5 Å²	108.5	69%	0.691	69%	0.689	S	S	*	*				82.8	104.9	75	166	0	0	0	0	112.4	L104	L104-V106 VanDerWaalsContact O-CG2 3.26Å; L104-V106 WeakPolarHBondContact O-CG2 3.49Å
107	V	27.4	Very low	33	Very low	92 Å²	92	109.1 Å²	109.1	56%	0.558	69%	0.687	S	S	*	*			trans	65.4	110.6	142.6	178.6	0	0	0	0	118.6	L110	V107-L110 HydrophobicContact CG1-CD2 4.46Å; V107-L110 HydrophobicContact CG1-CG 4.28Å
108	S	37.1	Very low	33	Very low	117 Å²	117	111.8 Å²	111.8	82%	0.818	68%	0.682	S	S	*	*	S	Bend		-165.6	122.1	101.5	-73.4	0	0	0	0	108.1
109	T	43.4	Very low	33	Very low	127 Å²	127	111.3 Å²	111.3	78%	0.779	68%	0.679	S	S	*	*	S	Bend	cis	-95.7	136	7.1	45.6	0	0	0	0	112.6
110	L	31	Very low	32.9	Very low	124 Å²	124	115.7 Å²	115.7	65%	0.649	69%	0.694	S	S	*	*				76.4	137.6	69.9	-72.3	168.9	0	0	0	113.3	V107	V107-L110 HydrophobicContact CG1-CD2 4.46Å; V107-L110 HydrophobicContact CG1-CG 4.28Å
111	P	28.1	Very low	33.4	Very low	99 Å²	99	115.1 Å²	115.1	64%	0.643	69%	0.69	S	S	*	*				-140.2	-139.6	-110.9	43.7	-25	0	0	0	112.5
112	S	36.2	Very low	33.3	Very low	100 Å²	100	115.7 Å²	115.7	70%	0.699	69%	0.693	S	S	*	*			trans	76.2	141.4	159.4	-81.4	0	0	0	0	117.8
113	V	36.5	Very low	33.5	Very low	117 Å²	117	114 Å²	114	71%	0.709	70%	0.699	S	S	*	*			cis	-148.3	165.2	-20.9	-114	0	0	0	0	110.2
114	N	28.3	Very low	33.8	Very low	155 Å²	155	117.8 Å²	117.8	83%	0.829	71%	0.713	S	S	*	*			trans	-21.1	144.9	139.7	-40.3	-31.5	0	0	0	114.4
115	G	30.7	Very low	33.1	Very low	75 Å²	75	114.9 Å²	114.9	77%	0.773	71%	0.707	S	S	*	*			trans	176.4	104	166.5	0	0	0	0	0	114
116	A	29	Very low	33	Very low	85 Å²	85	117.8 Å²	117.8	70%	0.702	72%	0.715	S	S	*	*			trans	-50.2	164.5	161.5	0	0	0	0	0	111.5
117	L	37.4	Very low	33.5	Very low	146 Å²	146	120 Å²	120	76%	0.764	72%	0.719	S	S	*	*				-161.7	138.4	61.8	-75.8	166	0	0	0	111
118	Y	33.6	Very low	34.3	Very low	159 Å²	159	122 Å²	122	62%	0.624	73%	0.733	S	S	*	*			trans	36.3	148.9	145.4	-61.9	-98.6	0	0	0	123.2	Y2234	Y118-Y2234 HydrophobicContact CD1-CD2 4.48Å; Y118-Y2234 AromaticContact CD1-CE2 3.71Å; Y118-Y2234 HydrophobicContact CD1-CE2 3.71Å; Y118-Y2234 HydrophobicContact CE1-CD2 4.41Å; Y118-Y2234 HydrophobicContact CE1-CE2 4.01Å; Y118-Y2234 HydrophobicContact CG-CE2 4.16Å
119	S	30.5	Very low	33.8	Very low	71 Å²	71	119.8 Å²	119.8	50%	0.497	72%	0.722	S	S	.	*				-6.8	150.4	122.2	-56.2	0	0	0	0	115.6	Y2234	S119-Y2234 PolarHBondContact N-OH 2.84Å; S119-Y2234 PolarHBondContact OG-OH 2.93Å
120	E	33.5	Very low	33.4	Very low	174 Å²	174	124.3 Å²	124.3	81%	0.813	73%	0.726	S	S	*	*			cis	-156.4	159.2	40.8	-157.8	152.8	167.3	0	0	115.7
121	T	38.7	Very low	33.7	Very low	112 Å²	112	123.1 Å²	123.1	69%	0.687	72%	0.724	S	S	*	*			trans	-25.3	153.4	165.3	-28	0	0	0	0	118.3
122	V	31.2	Very low	34	Very low	133 Å²	133	126.4 Å²	126.4	81%	0.806	73%	0.728	S	S	*	*			trans	74.5	108.9	166.8	-161	0	0	0	0	114.6
123	G	30.6	Very low	33.8	Very low	63 Å²	63	129.8 Å²	129.8	65%	0.649	73%	0.731	S	S	*	*			trans	-83.5	-163.4	170.5	0	0	0	0	0	112.6
124	N	36.4	Very low	33.6	Very low	152 Å²	152	128.1 Å²	128.1	81%	0.813	73%	0.729	S	S	*	*			trans	-151.7	136.4	165.1	-105	-46.9	0	0	0	111.6
125	S	30.8	Very low	33.7	Very low	96 Å²	96	132.3 Å²	132.3	67%	0.671	74%	0.735	S	S	*	*				32.2	135.2	118.2	-60.4	0	0	0	0	118.5
126	L	36.8	Very low	33.8	Very low	162 Å²	162	132.3 Å²	132.3	85%	0.848	74%	0.735	S	S	*	*			cis	-162.2	151	27.1	-118.4	148.9	0	0	0	111.4
127	E	36.6	Very low	33.8	Very low	162 Å²	162	136 Å²	136	76%	0.757	74%	0.743	S	S	*	*			trans	-80.1	165.2	163.4	-65	-174.5	133	0	0	111.9
128	P	43.2	Very low	33.5	Very low	132 Å²	132	133.8 Å²	133.8	86%	0.857	74%	0.739	S	S	*	*			trans	-120.8	126.7	135.8	34.2	-26.6	0	0	0	111.8
129	A	26.6	Very low	33.4	Very low	71 Å²	71	132.9 Å²	132.9	59%	0.587	75%	0.745	S	S	*	*			trans	-95.5	153.3	-172	0	0	0	0	0	114.6
130	Y	35.5	Very low	33.4	Very low	223 Å²	223	138.3 Å²	138.3	88%	0.875	77%	0.765	S	S	*	*			trans	-140.8	127.3	153.3	-89.3	-94.7	0	0	0	109.2
131	T	36.7	Very low	33.3	Very low	98 Å²	98	133.5 Å²	133.5	60%	0.601	76%	0.762	S	S	*	*			cis	-165.9	145.5	-11.7	3.5	0	0	0	0	110
132	K	35.1	Very low	33	Very low	169 Å²	169	134.6 Å²	134.6	74%	0.735	77%	0.768	S	S	*	*			trans	57	136.7	151.2	-78.3	173.3	167.8	177.9	0	118.9
133	F	32.3	Very low	33	Very low	171 Å²	171	134 Å²	134	75%	0.75	77%	0.766	S	S	*	*			cis	-132.4	132	4.6	-75.6	-86.5	0	0	0	108.3
134	A	33	Very low	33.2	Very low	81 Å²	81	135 Å²	135	67%	0.669	78%	0.775	S	S	*	*				56.4	93.2	87.8	0	0	0	0	0	113.7
135	Y	28.9	Very low	32.9	Very low	244 Å²	244	134 Å²	134	96%	0.957	77%	0.774	S	S	*	*				83.1	109.7	88	-101.1	-79.6	0	0	0	114.2
136	G	32.4	Very low	32.8	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	78%	0.775	S	S	*	*			trans	165.4	93.2	170.6	0	0	0	0	0	117.9
137	N	29.2	Very low	32.6	Very low	161 Å²	161	133.3 Å²	133.3	86%	0.861	78%	0.777	S	S	*	*			trans	35.5	142.5	148.6	-95.7	-3.3	0	0	0	125.9
138	S	31.9	Very low	32.5	Very low	100 Å²	100	133.4 Å²	133.4	70%	0.699	78%	0.782	S	S	*	*			trans	70.2	117.9	139.7	61.1	0	0	0	0	123.5
139	D	32.2	Very low	32.2	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	78%	0.781	S	S	*	*			trans	55.8	130.4	134.7	-76.4	-14.5	0	0	0	123.2
140	M	29.3	Very low	32.4	Very low	186 Å²	186	138.3 Å²	138.3	92%	0.916	78%	0.782	S	S	*	*			trans	68.3	116.1	145.5	-62.8	-80.7	-78.1	0	0	119.7
141	G	31.2	Very low	32.3	Very low	72 Å²	72	133 Å²	133	74%	0.742	77%	0.773	S	S	*	*			trans	170.4	83	163.6	0	0	0	0	0	119
142	V	34	Very low	32.2	Very low	135 Å²	135	133.7 Å²	133.7	82%	0.818	78%	0.782	S	S	*	*				35.1	118.1	129.6	175	0	0	0	0	120.1
143	T	30.9	Very low	32.2	Very low	122 Å²	122	132.4 Å²	132.4	75%	0.748	79%	0.788	S	S	*	*			trans	32.9	119.5	152.7	64	0	0	0	0	120.1
144	G	33.7	Very low	32.2	Very low	82 Å²	82	127.7 Å²	127.7	85%	0.845	79%	0.787	S	S	*	*			trans	-69.2	137.4	165.9	0	0	0	0	0	113.6
145	V	30.7	Very low	32.3	Very low	131 Å²	131	128.5 Å²	128.5	79%	0.794	78%	0.784	S	S	*	*			trans	-129.2	143.7	156.3	171.6	0	0	0	0	107.4
146	S	28.4	Very low	32.7	Very low	99 Å²	99	123 Å²	123	69%	0.692	77%	0.771	S	S	*	*			trans	-48.6	129.8	-175.7	52.4	0	0	0	0	115.2	L148	S146-L148 PolarHBondContact O-N 2.89Å
147	T	33.3	Very low	33.1	Very low	146 Å²	146	122.3 Å²	122.3	90%	0.896	76%	0.764	S	S	*	*			trans	-77	110.2	154.4	37.6	0	0	0	0	109.5
148	L	34	Very low	33.8	Very low	164 Å²	164	120.8 Å²	120.8	86%	0.859	76%	0.762	S	S	*	*			trans	-81.9	140.2	171.7	-131.8	163.2	0	0	0	109	S146	S146-L148 PolarHBondContact O-N 2.89Å
149	K	36.5	Very low	34	Very low	191 Å²	191	121.4 Å²	121.4	83%	0.83	76%	0.762	S	S	*	*			trans	-68.7	156.7	-179.1	-58.1	176.9	179.7	-179.7	0	111.8
150	D	31.1	Very low	34.7	Very low	114 Å²	114	121.9 Å²	121.9	61%	0.61	76%	0.757	S	S	*	*			trans	-113.3	139.2	155.7	-102.9	-34.7	0	0	0	111.3	Q977	D150-Q977 PolarHBondContact OD1-NE2 3.16Å; D150-Q977 VanDerWaalsContact OD1-NE2 3.15Å; D150-Q977 PolarHBondContact OD2-NE2 2.74Å
151	T	33.8	Very low	35.6	Very low	111 Å²	111	114.9 Å²	114.9	68%	0.681	73%	0.725	S	S	*	*			trans	58.5	91.4	147.6	-49	0	0	0	0	121.7
152	S	35.4	Very low	35.3	Very low	113 Å²	113	114.9 Å²	114.9	79%	0.79	71%	0.708	S	S	*	*				179.7	110.5	113.3	30.7	0	0	0	0	107.9
153	V	33.2	Very low	35.4	Very low	143 Å²	143	112.5 Å²	112.5	87%	0.867	69%	0.686	S	S	*	*				65.4	96.4	60.4	-174.4	0	0	0	0	111.2
154	G	33.4	Very low	35.8	Very low	71 Å²	71	113.2 Å²	113.2	73%	0.732	69%	0.691	S	S	*	*			trans	-174.1	28.6	-169.9	0	0	0	0	0	118.5
155	V	35.4	Very low	36	Very low	98 Å²	98	114.8 Å²	114.8	59%	0.594	68%	0.676	S	S	*	*			trans	64.9	118.5	160.8	-173.2	0	0	0	0	120	W923	V155-W923 HydrophobicContact CG1-CH2 3.65Å; V155-W923 HydrophobicContact CG1-CZ2 3.59Å; V155-W923 HydrophobicContact CG2-CH2 4.41Å
156	N	36.8	Very low	36.3	Very low	130 Å²	130	115.3 Å²	115.3	70%	0.695	67%	0.67	S	S	*	*			trans	9.7	145.9	140.6	-39.4	-24.4	0	0	0	120
157	G	41.3	Very low	36.8	Very low	60 Å²	60	113.2 Å²	113.2	62%	0.619	66%	0.659	S	S	*	*			cis	133.8	127.9	6.6	0	0	0	0	0	111.9
158	P	43.7	Very low	37	Very low	128 Å²	128	111.6 Å²	111.6	83%	0.831	65%	0.649	S	S	*	*			trans	-84.1	157.6	175.1	34.9	-34	0	0	0	111.5
159	V	35.8	Very low	36.9	Very low	113 Å²	113	112.8 Å²	112.8	69%	0.685	65%	0.647	S	S	*	*			cis	-109.7	150.2	20.6	172.1	0	0	0	0	112.9
160	K	46.9	Very low	36.7	Very low	150 Å²	150	108.4 Å²	108.4	65%	0.652	63%	0.633	S	S	*	*			trans	-120	143.6	157.9	-79.4	-163.7	169.2	-170.5	0	107.6
161	T	48.5	Very low	36.7	Very low	39 Å²	39	111.3 Å²	111.3	24%	0.239	64%	0.64	C	S	.	*			cis	-163.5	-174.1	-1.9	24.1	0	0	0	0	108.1	K163 E166 A167	T161-K163 HydrophobicContact CG2-CB 3.55Å; T161-K163 HydrophobicContact CG2-CD 4.29Å; T161-K163 HydrophobicContact CG2-CG 3.54Å; T161-E166 WeakPolarHBondContact CB-O 3.12Å; T161-E166 PolarHBondContact OG1-O 3.2Å; T161-A167 CarbonylContact O-C 3.26Å; T161-A167 VanDerWaalsContact O-C 3.3Å; T161-A167 PolarHBondContact O-N 3.11Å
162	N	24.7	Very low	36.4	Very low	73 Å²	73	112 Å²	112	39%	0.39	64%	0.643	S	S	.	*			cis	-42.5	147.8	12.9	-63.9	25.4	0	0	0	116.9	D920 S921	N162-D920 VanDerWaalsContact CB-OD1 3.28Å; N162-D920 WeakPolarHBondContact CB-OD1 3.29Å; N162-S921 PolarHBondContact O-OG 3.23Å
163	K	36.2	Very low	35.9	Very low	84 Å²	84	111.8 Å²	111.8	37%	0.365	64%	0.642	S	S	.	*	S	Bend	cis	58.4	128.4	-8.1	-94	-166.1	-178.6	-166.1	0	117.8	T161 E165 E166 D920	T161-K163 HydrophobicContact CG2-CB 3.55Å; T161-K163 HydrophobicContact CG2-CD 4.29Å; T161-K163 HydrophobicContact CG2-CG 3.54Å; K163-E165 WeakPolarHBondContact CD-O 3.46Å; K163-E165 WeakPolarHBondContact CD-OE2 3.05Å; K163-E165 VanDerWaalsContact CE-OE2 3.31Å; K163-E165 WeakPolarHBondContact CE-OE2 3.04Å; K163-E165 PolarHBondContact NZ-O 2.98Å; K163-E165 IonicContact NZ-OE2 2.77Å; K163-E165 PolarHBondContact NZ-OE2 2.82Å; K163-E165 CarbonylContact O-C 2.91Å; K163-E166 PolarHBondContact O-N 2.72Å; K163-E166 VanDerWaalsContact O-N 3.16Å; K163-D920 WeakPolarHBondContact CA-OD2 2.97Å; K163-D920 PolarHBondContact N-OD2 2.99Å
164	T	39.2	Very low	35.8	Very low	138 Å²	138	109.9 Å²	109.9	85%	0.847	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn		-74.3	109.3	119	-57.5	0	0	0	0	107.9	D920	T164-D920 PolarHBondContact N-OD2 2.71Å
165	E	37	Very low	35.8	Very low	114 Å²	114	114.8 Å²	114.8	53%	0.533	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	cis	-108.7	128.3	1.1	-7.1	76.1	146.5	0	0	116.1	K163	K163-E165 WeakPolarHBondContact CD-O 3.46Å; K163-E165 WeakPolarHBondContact CD-OE2 3.05Å; K163-E165 VanDerWaalsContact CE-OE2 3.31Å; K163-E165 WeakPolarHBondContact CE-OE2 3.04Å; K163-E165 PolarHBondContact NZ-O 2.98Å; K163-E165 IonicContact NZ-OE2 2.77Å; K163-E165 PolarHBondContact NZ-OE2 2.82Å; K163-E165 CarbonylContact O-C 2.91Å
166	E	37.5	Very low	35.4	Very low	142 Å²	142	117 Å²	117	66%	0.664	65%	0.647	S	S	*	*			trans	76.2	152.5	152.4	-59	178.6	135.3	0	0	119	T161 K163	T161-E166 WeakPolarHBondContact CB-O 3.12Å; T161-E166 PolarHBondContact OG1-O 3.2Å; K163-E166 PolarHBondContact O-N 2.72Å; K163-E166 VanDerWaalsContact O-N 3.16Å
167	A	38.5	Very low	35.2	Very low	55 Å²	55	118.2 Å²	118.2	46%	0.455	65%	0.652	S	S	.	*			cis	-159.6	142.2	-18.7	0	0	0	0	0	112.5	T161	T161-A167 CarbonylContact O-C 3.26Å; T161-A167 VanDerWaalsContact O-C 3.3Å; T161-A167 PolarHBondContact O-N 3.11Å
168	V	37.6	Very low	34.5	Very low	113 Å²	113	124.6 Å²	124.6	69%	0.685	66%	0.663	S	S	*	*			trans	30.7	111.9	130.3	-168.4	0	0	0	0	117.3
169	K	32.1	Very low	34.3	Very low	188 Å²	188	124.3 Å²	124.3	82%	0.817	66%	0.661	S	S	*	*				65.8	156.9	73.2	-125.8	-178.5	-169.6	172.7	0	115.6
170	D	33.2	Very low	34.4	Very low	100 Å²	100	124.8 Å²	124.8	54%	0.535	67%	0.667	S	S	.	*			trans	65.6	105.5	160.7	-78.6	33.4	0	0	0	121.3
171	K	31.1	Very low	33.5	Very low	175 Å²	175	121.1 Å²	121.1	76%	0.761	66%	0.66	S	S	*	*				107	139.5	107.2	-85.7	178.3	-178.6	138.2	0	122.4
172	V	26.8	Very low	32.9	Very low	124 Å²	124	124 Å²	124	75%	0.752	67%	0.674	S	S	*	*			trans	81	101.7	135.1	169.5	0	0	0	0	120
173	S	25.6	Very low	33.5	Very low	110 Å²	110	125.4 Å²	125.4	77%	0.769	68%	0.677	S	S	*	*				68	179	127.7	-152.7	0	0	0	0	119.6
174	S	30.6	Very low	33.6	Very low	103 Å²	103	126.9 Å²	126.9	72%	0.72	70%	0.695	S	S	*	*			trans	67.7	99.1	177	-47.9	0	0	0	0	114.1
175	Q	32.6	Very low	33.3	Very low	174 Å²	174	123.3 Å²	123.3	81%	0.813	69%	0.685	S	S	*	*				78.5	113.4	83	-82.1	-157.2	26.9	0	0	115.9
176	L	28.6	Very low	33.3	Very low	145 Å²	145	123.9 Å²	123.9	76%	0.759	70%	0.702	S	S	*	*				81.5	156.5	128.4	-152.7	65.8	0	0	0	119.8
177	L	31.8	Very low	33.3	Very low	155 Å²	155	123.1 Å²	123.1	81%	0.812	71%	0.712	S	S	*	*			trans	80.5	115.4	167.1	-71.9	128.8	0	0	0	121.7
178	K	26.9	Very low	33	Very low	194 Å²	194	124.2 Å²	124.2	84%	0.843	73%	0.728	S	S	*	*			trans	-64.3	170.5	149.7	-61.8	168.8	179.3	172.2	0	110.6
179	P	39.4	Very low	32.8	Very low	121 Å²	121	121.9 Å²	121.9	79%	0.786	73%	0.728	S	S	*	*			cis	-115.7	-98.2	10.8	24.6	0.7	0	0	0	113.6
180	P	38.4	Very low	32.8	Very low	124 Å²	124	121.8 Å²	121.8	81%	0.805	74%	0.735	S	S	*	*			cis	-107.9	-126.5	-6.7	41.4	-27	0	0	0	113.1
181	S	27.8	Very low	32.8	Very low	73 Å²	73	121.6 Å²	121.6	51%	0.51	75%	0.747	S	S	.	*			trans	-152.3	156.6	-175.3	168.3	0	0	0	0	110
182	D	34.8	Very low	32.8	Very low	99 Å²	99	117 Å²	117	53%	0.529	74%	0.742	S	S	.	*				168.6	157	120.6	-89.4	6.3	0	0	0	114.7	Q1616 S1617	D182-Q1616 CarbonylContact O-C 3.28Å; D182-Q1616 WeakPolarHBondContact O-CA 3.46Å; D182-Q1616 PolarHBondContact O-N 2.76Å; D182-S1617 WeakPolarHBondContact CA-OG 3.01Å; D182-S1617 PolarHBondContact N-OG 3.31Å; D182-S1617 VanDerWaalsContact N-OG 3.13Å; D182-S1617 PolarHBondContact O-N 3.02Å; D182-S1617 PolarHBondContact O-OG 3.02Å
183	K	36.9	Very low	33.2	Very low	103 Å²	103	117.2 Å²	117.2	45%	0.448	74%	0.739	S	S	.	*			trans	-164	110.7	-174.5	-167.4	-179.4	-154.7	157.4	0	113.9	S1617 S1618	K183-S1617 WeakPolarHBondContact CD-O 3.11Å; K183-S1617 WeakPolarHBondContact CE-O 3.11Å; K183-S1617 PolarHBondContact NZ-O 2.99Å; K183-S1618 WeakPolarHBondContact CD-OG 2.88Å; K183-S1618 PolarHBondContact NZ-O 3.36Å; K183-S1618 PolarHBondContact NZ-OG 3Å
184	P	38.3	Very low	33.5	Very low	115 Å²	115	120.7 Å²	120.7	75%	0.747	74%	0.74	S	S	*	*				-116.8	-173.7	110	-10.2	30	0	0	0	111.8	Q1616	P184-Q1616 PolarHBondContact O-NE2 2.83Å
185	G	33.4	Very low	33.8	Very low	62 Å²	62	120.6 Å²	120.6	64%	0.639	74%	0.737	S	S	*	*			cis	154.6	129.1	-0.1	0	0	0	0	0	107.9
186	S	37.7	Very low	33.7	Very low	127 Å²	127	120.3 Å²	120.3	89%	0.888	73%	0.733	S	S	*	*			cis	85.6	102.3	49.1	-167.2	0	0	0	0	114
187	S	36.2	Very low	33.8	Very low	125 Å²	125	121.9 Å²	121.9	87%	0.874	73%	0.734	S	S	*	*			trans	-165	126.1	154.7	58	0	0	0	0	108.5
188	G	32.6	Very low	33.9	Very low	78 Å²	78	122.3 Å²	122.3	80%	0.804	73%	0.732	S	S	*	*			cis	178.3	163.3	-8.1	0	0	0	0	0	109.3
189	G	33.7	Very low	34	Very low	65 Å²	65	121.3 Å²	121.3	67%	0.67	72%	0.723	S	S	*	*			cis	158.7	168.9	-6.3	0	0	0	0	0	111.9
190	L	33.3	Very low	33.4	Very low	185 Å²	185	121.4 Å²	121.4	97%	0.969	72%	0.724	S	S	*	*			trans	68.7	142.4	165.1	-49.6	178.4	0	0	0	115.3
191	A	31.4	Very low	33	Very low	96 Å²	96	120.7 Å²	120.7	79%	0.793	72%	0.717	S	S	*	*			cis	-152.7	-178.2	-6.5	0	0	0	0	0	107.7
192	A	32.4	Very low	33.3	Very low	78 Å²	78	122.5 Å²	122.5	65%	0.645	73%	0.727	S	S	*	*			cis	-161	-179.9	-4.3	0	0	0	0	0	109.7
193	N	34.8	Very low	33.2	Very low	130 Å²	130	122.8 Å²	122.8	70%	0.695	73%	0.728	S	S	*	*			trans	7	142.2	145.4	-61.2	-75	0	0	0	119.7
194	K	32.2	Very low	33.3	Very low	182 Å²	182	124 Å²	124	79%	0.791	74%	0.743	S	S	*	*			cis	-164.6	165.3	5.5	-113.9	162.9	-178.8	166.2	0	109.3
195	P	36.2	Very low	33.2	Very low	101 Å²	101	123.6 Å²	123.6	66%	0.656	74%	0.739	S	S	*	*			trans	-88	167.8	-179.3	36.8	-34.3	0	0	0	112.7
196	F	31.7	Very low	33.4	Very low	168 Å²	168	126.9 Å²	126.9	74%	0.737	75%	0.747	S	S	*	*				174.2	138.5	119.6	-107.4	-79	0	0	0	113.1
197	F	30.4	Very low	33.3	Very low	178 Å²	178	126.2 Å²	126.2	78%	0.781	74%	0.742	S	S	*	*			trans	63.4	148.9	177.3	-53.1	-71.1	0	0	0	115.7
198	Q	33.6	Very low	33.2	Very low	164 Å²	164	125.2 Å²	125.2	77%	0.766	74%	0.735	S	S	*	*			cis	-141.9	126.2	17.7	-172.1	161.5	-66.5	0	0	114.1
199	R	29.1	Very low	33.2	Very low	174 Å²	174	125.6 Å²	125.6	66%	0.657	72%	0.722	S	S	*	*			trans	53.2	106.4	160.7	-66.9	174.9	177.4	-115.7	-1.4	119.3
200	P	27.4	Very low	33.3	Very low	122 Å²	122	125.3 Å²	125.3	79%	0.792	71%	0.713	S	S	*	*				-83.2	161.7	110.4	34.7	-31.7	0	0	0	110.9
201	T	30.2	Very low	33.4	Very low	109 Å²	109	118.7 Å²	118.7	67%	0.669	68%	0.681	S	S	*	*			trans	-116.8	111.6	174.2	42.9	0	0	0	0	111.1
202	P	33.7	Very low	33.8	Very low	111 Å²	111	119.7 Å²	119.7	72%	0.721	68%	0.677	S	S	*	*			trans	-98.5	152.4	171.3	36.5	-31.8	0	0	0	112.7
203	I	33.2	Very low	34.2	Very low	106 Å²	106	121 Å²	121	54%	0.544	68%	0.677	S	S	.	*			trans	-71.8	156.4	161.4	-67.3	165.6	0	0	0	109.2	R249	I203-R249 WeakPolarHBondContact CD1-O 3.41Å
204	V	37.4	Very low	34.5	Very low	127 Å²	127	119.8 Å²	119.8	77%	0.77	68%	0.679	S	S	*	*			trans	-123.9	100.6	163.4	179.3	0	0	0	0	109.9
205	T	36.9	Very low	34.8	Very low	108 Å²	108	119.7 Å²	119.7	66%	0.663	68%	0.678	S	S	*	*				45.9	121.9	123.8	-46.4	0	0	0	0	117.5
206	T	38.2	Very low	34.7	Very low	130 Å²	130	118.3 Å²	118.3	80%	0.798	67%	0.671	S	S	*	*			cis	-171.5	175.2	4.5	13.5	0	0	0	0	107.2
207	S	35.4	Very low	34.7	Very low	114 Å²	114	115.4 Å²	115.4	80%	0.797	66%	0.66	S	S	*	*			cis	-159.5	-163.7	-2.6	46.8	0	0	0	0	107.7
208	S	32.7	Very low	34.9	Very low	103 Å²	103	110.6 Å²	110.6	72%	0.72	64%	0.642	S	S	*	*			trans	-154.6	-178.8	-176.7	63.6	0	0	0	0	115.4
209	T	34.4	Very low	35	Very low	87 Å²	87	105.9 Å²	105.9	53%	0.534	63%	0.625	S	S	.	*			trans	93.5	163.2	151.6	-25.2	0	0	0	0	118.8
210	A	35.4	Very low	35.4	Very low	59 Å²	59	102.4 Å²	102.4	49%	0.488	62%	0.623	S	S	.	*			trans	105.2	144.5	160.4	0	0	0	0	0	119.1
211	T	35	Very low	35.6	Very low	45 Å²	45	105.5 Å²	105.5	28%	0.276	63%	0.625	S	S	.	*			cis	-152.6	-178.3	-39.3	-50.4	0	0	0	0	106.6	T213 D223 G224	T211-T213 HydrophobicContact CG2-CG2 4.46Å; T211-D223 WeakPolarHBondContact CB-OD1 3.22Å; T211-D223 WeakPolarHBondContact CG2-OD2 3.44Å; T211-D223 VanDerWaalsContact OG1-CG 3.25Å; T211-D223 PolarHBondContact OG1-OD1 2.78Å; T211-G224 WeakPolarHBondContact OG1-CA 3.18Å
212	T	40.7	Very low	35.9	Very low	117 Å²	117	106.9 Å²	106.9	72%	0.718	63%	0.632	S	S	*	*				161	170.8	78.4	43.1	0	0	0	0	107.7
213	T	39.9	Very low	36	Very low	106 Å²	106	105.3 Å²	105.3	65%	0.65	62%	0.618	S	S	*	*			cis	-158	178.9	-39.8	37.3	0	0	0	0	104.8	T211	T211-T213 HydrophobicContact CG2-CG2 4.46Å
214	S	40.7	Very low	36.1	Very low	104 Å²	104	100.9 Å²	100.9	73%	0.727	60%	0.598	S	S	*	*				167.3	158.5	66	34.8	0	0	0	0	107.8
215	K	38.1	Very low	36.3	Very low	180 Å²	180	96.5 Å²	96.5	78%	0.783	58%	0.579	S	S	*	*			cis	-164.4	170.1	-8.5	-107.1	-156.2	171.9	-171	0	105
216	S	34.6	Very low	36.4	Very low	73 Å²	73	94.8 Å²	94.8	51%	0.51	58%	0.576	S	S	.	*			cis	174.2	170.6	-20.5	176.1	0	0	0	0	108.9	I889	S216-I889 CarbonylContact C-O 2.93Å
217	E	32.4	Very low	36.5	Very low	106 Å²	106	98.6 Å²	98.6	50%	0.495	58%	0.576	S	S	.	*			trans	119.7	130.5	146.2	-62.7	-158.7	161.1	0	0	113.5	I889 D890	E217-I889 CarbonylContact C-O 2.8Å; E217-I889 VanDerWaalsContact C-O 3.28Å; E217-I889 WeakPolarHBondContact CA-O 3.12Å; E217-I889 PolarHBondContact N-O 2.89Å; E217-I889 CarbonylContact O-C 3.53Å; E217-D890 CarbonylContact O-C 3.27Å; E217-D890 VanDerWaalsContact O-C 3.24Å; E217-D890 PolarHBondContact O-N 3.04Å
218	I	34.5	Very low	36.5	Very low	78 Å²	78	99.2 Å²	99.2	40%	0.4	57%	0.566	S	S	.	*			cis	-167.7	171.4	-15.1	-126.5	168.1	0	0	0	108.3	Y892	I218-Y892 VanDerWaalsContact O-CE2 3.32Å; I218-Y892 WeakPolarHBondContact O-CE2 3.03Å; I218-Y892 PolarHBondContact O-OH 3.32Å
219	P	36	Very low	36.7	Very low	65 Å²	65	100.7 Å²	100.7	42%	0.422	56%	0.564	S	S	.	*			cis	-112.8	-170.8	-40.3	37.6	-18.8	0	0	0	110.6
220	T	35.9	Very low	36.6	Very low	100 Å²	100	103.4 Å²	103.4	61%	0.613	58%	0.58	S	S	*	*			cis	-160.1	121.7	26.5	-20.7	0	0	0	0	111.7
221	K	32.8	Very low	36.4	Very low	188 Å²	188	104.1 Å²	104.1	82%	0.817	59%	0.594	S	S	*	*			trans	61.2	126	161.5	-58.7	173	-177.4	-174.7	0	118.6
222	V	36.6	Very low	36.2	Very low	138 Å²	138	110.8 Å²	110.8	84%	0.836	62%	0.622	S	S	*	*			cis	165.3	152.6	-13.6	125.5	0	0	0	0	106.2
223	D	34.5	Very low	36.3	Very low	77 Å²	77	110.2 Å²	110.2	41%	0.412	62%	0.62	S	S	.	*			cis	-173.1	156.4	-19.1	177.4	-130.1	0	0	0	104.7	T211 D886	T211-D223 WeakPolarHBondContact CB-OD1 3.22Å; T211-D223 WeakPolarHBondContact CG2-OD2 3.44Å; T211-D223 VanDerWaalsContact OG1-CG 3.25Å; T211-D223 PolarHBondContact OG1-OD1 2.78Å; D223-D886 CarbonylContact C-O 3.11Å; D223-D886 VanDerWaalsContact CA-O 3.28Å; D223-D886 WeakPolarHBondContact CA-O 3.28Å
224	G	35.5	Very low	35.9	Very low	13 Å²	13	111.3 Å²	111.3	13%	0.134	63%	0.632	C	S	.	*	B	Isolated β-bridge	cis	-156.2	-119.3	10.9	0	0	0	0	0	112	T211 D886	T211-G224 WeakPolarHBondContact OG1-CA 3.18Å; G224-D886 WeakPolarHBondContact CA-O 3.43Å; G224-D886 PolarHBondContact N-O 2.92Å; G224-D886 PolarHBondContact O-N 2.89Å
225	G	41.6	Very low	35.5	Very low	35 Å²	35	109.2 Å²	109.2	36%	0.361	63%	0.627	S	S	.	*			cis	163.8	168.3	-4.8	0	0	0	0	0	115.3
226	A	39.9	Very low	35.3	Very low	73 Å²	73	112.3 Å²	112.3	60%	0.603	63%	0.634	S	S	*	*			trans	73.4	156.4	171.7	0	0	0	0	0	119.9
227	R	39.3	Very low	35.2	Very low	209 Å²	209	114.8 Å²	114.8	79%	0.789	65%	0.645	S	S	*	*			trans	-162.3	142.9	-165.5	-104.1	173.4	168.3	-107.1	-8.5	118
228	E	36.7	Very low	35.2	Very low	127 Å²	127	113.6 Å²	113.6	59%	0.593	65%	0.653	S	S	*	*			trans	76	139.5	130.3	-77.7	173.6	143.9	0	0	129.2
229	I	36	Very low	35	Very low	134 Å²	134	118.2 Å²	118.2	69%	0.687	68%	0.677	S	S	*	*				89.7	114.9	126.7	-75.3	171.1	0	0	0	125.5
230	V	31.7	Very low	35	Very low	144 Å²	144	118.3 Å²	118.3	87%	0.873	69%	0.69	S	S	*	*			trans	56.9	135	134.9	-178.3	0	0	0	0	123.6
231	G	32.9	Very low	35.1	Very low	74 Å²	74	121 Å²	121	76%	0.763	70%	0.696	S	S	*	*			trans	164.5	102.5	152.8	0	0	0	0	0	117.6
232	E	29.8	Very low	35.4	Very low	186 Å²	186	117.1 Å²	117.1	87%	0.869	68%	0.684	S	S	*	*			trans	-97.7	178.4	165.3	-87.2	-158	173.9	0	0	111.3
233	P	44.1	Very low	35.8	Very low	105 Å²	105	116.2 Å²	116.2	68%	0.682	67%	0.67	S	S	*	*			cis	-133.1	169.9	-46.3	37.3	-22.4	0	0	0	113
234	S	31.5	Very low	36	Very low	128 Å²	128	117.4 Å²	117.4	90%	0.895	68%	0.683	S	S	*	*			trans	150.9	144.4	134.8	59.1	0	0	0	0	114.9
235	G	31.8	Very low	36.4	Very low	60 Å²	60	119.2 Å²	119.2	62%	0.619	69%	0.689	S	S	*	*			trans	106.7	100.5	153	0	0	0	0	0	119.9
236	W	33.5	Very low	36.3	Very low	246 Å²	246	122.3 Å²	122.3	93%	0.932	69%	0.693	S	S	*	*			trans	63.2	124.3	135.8	-63.3	104.1	0	0	0	123.3
237	V	32.8	Very low	36.4	Very low	124 Å²	124	121.8 Å²	121.8	75%	0.752	68%	0.68	S	S	*	*			trans	72.9	81.4	146.1	-171.3	0	0	0	0	119.5
238	A	31.5	Very low	36.6	Very low	81 Å²	81	116.3 Å²	116.3	67%	0.669	66%	0.663	S	S	*	*				37.9	132	107.6	0	0	0	0	0	122.8
239	I	31.8	Very low	37.1	Very low	175 Å²	175	114.1 Å²	114.1	90%	0.897	65%	0.649	S	S	*	*			trans	91.7	120.2	150.2	-61.5	155.8	0	0	0	119.1
240	G	36.1	Very low	37.4	Very low	67 Å²	67	111.9 Å²	111.9	69%	0.691	64%	0.638	S	S	*	*			trans	126.3	60.4	168.6	0	0	0	0	0	113
241	Q	36.2	Very low	37.6	Very low	157 Å²	157	107 Å²	107	73%	0.734	61%	0.606	S	S	*	*				64.1	117.9	90.8	-67.3	-149.1	5.9	0	0	116
242	D	39	Very low	37.7	Very low	107 Å²	107	110.5 Å²	110.5	57%	0.572	60%	0.601	S	S	*	*			trans	87.7	96.4	150	-57.1	-2.4	0	0	0	120.5	K287	D242-K287 IonicContact OD1-NZ 2.65Å; D242-K287 PolarHBondContact OD1-NZ 2.75Å; D242-K287 IonicContact OD2-NZ 3.51Å; D242-K287 PolarHBondContact OD2-NZ 3.33Å
243	E	45.9	Very low	38.1	Very low	118 Å²	118	104.6 Å²	104.6	55%	0.551	58%	0.58	S	S	*	*				-12.5	157.7	127.3	-90.1	171.4	151.9	0	0	117.8	D245	E243-D245 HydrophobicContact CG-CB 4.24Å
244	P	38.6	Very low	37.8	Very low	103 Å²	103	106.3 Å²	106.3	67%	0.669	58%	0.584	S	S	*	*			cis	-100.1	150.6	41.5	39.2	-38.5	0	0	0	114.4
245	D	43.1	Very low	38.1	Very low	50 Å²	50	107.1 Å²	107.1	27%	0.267	58%	0.578	S	S	.	*			cis	74.4	114.7	39.2	-168.3	14	0	0	0	112.8	E243	E243-D245 HydrophobicContact CG-CB 4.24Å
246	F	39.5	Very low	38.5	Very low	101 Å²	101	111.7 Å²	111.7	44%	0.443	58%	0.583	S	S	.	*			trans	-160.8	105.8	130.1	-111.1	-59	0	0	0	112.4	S875 W876	F246-S875 VanDerWaalsContact CE2-N 3.28Å; F246-W876 WeakPolarHBondContact CE1-O 3.42Å
247	D	42.8	Very low	38.6	Very low	61 Å²	61	106.5 Å²	106.5	33%	0.326	57%	0.569	S	S	.	*			trans	-65	155.1	163.6	-92.5	-14.9	0	0	0	112.4	R249	D247-R249 VanDerWaalsContact CG-NH2 3.32Å; D247-R249 IonicContact OD1-CZ 3.44Å; D247-R249 IonicContact OD1-NE 2.84Å; D247-R249 PolarHBondContact OD1-NE 2.59Å; D247-R249 IonicContact OD1-NH2 3.27Å; D247-R249 PolarHBondContact OD1-NH2 3.35Å; D247-R249 IonicContact OD2-CZ 2.62Å; D247-R249 IonicContact OD2-NE 2.72Å; D247-R249 PolarHBondContact OD2-NE 3.12Å; D247-R249 IonicContact OD2-NH2 3.4Å; D247-R249 PolarHBondContact OD2-NH2 2.77Å
248	E	42.9	Very low	39	Very low	95 Å²	95	109.2 Å²	109.2	44%	0.444	57%	0.567	S	S	.	*				-179.8	172.2	113.7	-98.7	173.2	-142.7	0	0	116.7	W876 S878	E248-W876 VanDerWaalsContact OE1-O 3.12Å; E248-S878 PolarHBondContact OE1-N 3.33Å
249	R	47	Very low	39.2	Very low	80 Å²	80	113.2 Å²	113.2	30%	0.302	57%	0.572	S	S	.	*				-143.7	-154	-125.2	-74.1	142.5	174.6	-54.8	-12.1	116.3	I203 D247 K879 P880 S881	I203-R249 WeakPolarHBondContact CD1-O 3.41Å; D247-R249 VanDerWaalsContact CG-NH2 3.32Å; D247-R249 IonicContact OD1-CZ 3.44Å; D247-R249 IonicContact OD1-NE 2.84Å; D247-R249 PolarHBondContact OD1-NE 2.59Å; D247-R249 IonicContact OD1-NH2 3.27Å; D247-R249 PolarHBondContact OD1-NH2 3.35Å; D247-R249 IonicContact OD2-CZ 2.62Å; D247-R249 IonicContact OD2-NE 2.72Å; D247-R249 PolarHBondContact OD2-NE 3.12Å; D247-R249 IonicContact OD2-NH2 3.4Å; D247-R249 PolarHBondContact OD2-NH2 2.77Å; R249-K879 VanDerWaalsContact CD-C 3.48Å; R249-P880 WeakPolarHBondContact CB-O 3.31Å; R249-P880 WeakPolarHBondContact CD-O 3.09Å; R249-P880 WeakPolarHBondContact CG-O 3.01Å; R249-P880 PolarHBondContact NH1-O 3.13Å; R249-S881 PolarHBondContact NH1-OG 2.99Å; R249-S881 VanDerWaalsContact NH1-OG 3.08Å
250	I	42.2	Very low	39.4	Very low	87 Å²	87	110.3 Å²	110.3	45%	0.446	56%	0.562	S	S	.	*			trans	-152.6	-142.4	-148.2	-78	-169	0	0	0	115.3	P880 H882	I250-P880 WeakPolarHBondContact O-CG 2.99Å; I250-H882 VanDerWaalsContact CB-O 3.29Å; I250-H882 WeakPolarHBondContact CB-O 3.49Å; I250-H882 VanDerWaalsContact CG2-C 3.44Å; I250-H882 VanDerWaalsContact CG2-N 3.34Å; I250-H882 WeakPolarHBondContact CG2-O 3.25Å
251	I	36.9	Very low	39.2	Very low	41 Å²	41	116.8 Å²	116.8	21%	0.21	57%	0.571	C	S	.	*			trans	67	155.4	-165.6	36.7	173	0	0	0	117.7	P880 S881 H882 L1599 T1600	I251-P880 HydrophobicContact CD1-CB 3.61Å; I251-P880 HydrophobicContact CD1-CG 3.9Å; I251-P880 HydrophobicContact CG1-CB 3.8Å; I251-P880 HydrophobicContact CG1-CG 3.71Å; I251-S881 VanDerWaalsContact CG2-O 3.25Å; I251-S881 WeakPolarHBondContact CG2-O 3.35Å; I251-H882 WeakPolarHBondContact CA-O 3.25Å; I251-H882 HydrophobicContact CG2-CB 4.31Å; I251-H882 VanDerWaalsContact CG2-O 3.31Å; I251-H882 WeakPolarHBondContact CG2-O 3.43Å; I251-H882 PolarHBondContact N-O 2.8Å; I251-L1599 CarbonylContact O-C 3.23Å; I251-L1599 WeakPolarHBondContact O-CA 3.34Å; I251-L1599 PolarHBondContact O-N 3.41Å; I251-L1599 VanDerWaalsContact O-N 3.1Å; I251-T1600 PolarHBondContact O-N 3.32Å
252	F	35.7	Very low	39.2	Very low	149 Å²	149	115.5 Å²	115.5	65%	0.654	58%	0.577	S	S	*	*			cis	-139.5	-159.4	3.3	-126.8	-39	0	0	0	109.7	L1599	F252-L1599 HydrophobicContact CB-CD2 4.03Å
253	S	36.9	Very low	38.7	Very low	61 Å²	61	116.9 Å²	116.9	43%	0.427	59%	0.589	S	S	.	*			cis	-159.2	-175.8	24.6	-36.5	0	0	0	0	112.7	L1599	S253-L1599 WeakPolarHBondContact OG-CD2 3.06Å
254	D	37.7	Very low	37.9	Very low	142 Å²	142	122.3 Å²	122.3	76%	0.759	60%	0.604	S	S	*	*			trans	34.5	147.6	140.5	-42.2	-23.6	0	0	0	121.9
255	D	38.2	Very low	37.3	Very low	145 Å²	145	121 Å²	121	78%	0.775	60%	0.597	S	S	*	*			cis	-159.2	-177.8	5.4	-132.4	-27.5	0	0	0	113.5
256	E	40.6	Very low	36.5	Very low	155 Å²	155	124.1 Å²	124.1	72%	0.724	62%	0.618	S	S	*	*			trans	83.1	96.4	164.7	-64.7	-62.7	169.1	0	0	124
257	E	36	Very low	35.8	Very low	138 Å²	138	123.6 Å²	123.6	65%	0.645	62%	0.624	S	S	*	*			trans	53.7	152.2	134.5	-138.9	169.9	-149.4	0	0	126.4
258	Y	41.4	Very low	35.1	Very low	181 Å²	181	125.4 Å²	125.4	71%	0.71	64%	0.637	S	S	*	*			trans	72.8	132.5	170.9	-56.5	-81.4	0	0	0	120
259	E	34.6	Very low	34.3	Very low	165 Å²	165	125.8 Å²	125.8	77%	0.771	65%	0.646	S	S	*	*			cis	-160.9	166.8	-18.4	-140.7	-159.6	140.3	0	0	113.2
260	V	35.7	Very low	33.7	Very low	113 Å²	113	127.6 Å²	127.6	69%	0.685	66%	0.662	S	S	*	*			trans	50.1	87.1	163.2	-157.5	0	0	0	0	123
261	K	33.2	Very low	33.1	Very low	203 Å²	203	128.7 Å²	128.7	88%	0.883	67%	0.667	S	S	*	*				21.6	153.4	129.3	-69.6	165.2	-178.2	163.9	0	124.6
262	P	34.4	Very low	32.9	Very low	131 Å²	131	130.2 Å²	130.2	85%	0.851	68%	0.681	S	S	*	*			trans	-128.2	-161.3	-156.2	42.8	-23.4	0	0	0	117.3
263	V	30.4	Very low	32.7	Very low	135 Å²	135	129.4 Å²	129.4	82%	0.818	68%	0.68	S	S	*	*			trans	-96.9	144.8	-163.1	170.6	0	0	0	0	116
264	R	27.7	Very low	32.4	Very low	232 Å²	232	134.2 Å²	134.2	88%	0.875	70%	0.695	S	S	*	*	S	Bend	trans	32.1	122.8	154.4	-160.3	174	-173.2	157.3	-1.8	119.8	T266	R264-T266 PolarHBondContact O-N 3.26Å
265	S	25.5	Very low	32.1	Very low	76 Å²	76	131.9 Å²	131.9	53%	0.531	69%	0.691	S	S	.	*			trans	-33	112	-178.9	-47.3	0	0	0	0	117.9
266	T	27.6	Very low	31.6	Very low	115 Å²	115	127.7 Å²	127.7	71%	0.706	68%	0.676	S	S	*	*			trans	-122.4	161	142	27.1	0	0	0	0	111.2	R264	R264-T266 PolarHBondContact O-N 3.26Å
267	T	25.3	Very low	31	Very low	91 Å²	91	125.8 Å²	125.8	56%	0.558	67%	0.667	S	S	*	*			trans	-18.5	152.5	140.3	-7	0	0	0	0	114.9
268	T	27.8	Very low	30.5	Very low	98 Å²	98	125.8 Å²	125.8	60%	0.601	67%	0.665	S	S	*	*			cis	-166.1	157.6	25.9	-31.8	0	0	0	0	111
269	T	25.1	Very low	29.9	Very low	104 Å²	104	122.1 Å²	122.1	64%	0.638	66%	0.657	S	S	*	*			trans	57.8	177.6	156.5	45.8	0	0	0	0	114.3
270	N	34.6	Very low	29.7	Very low	117 Å²	117	120.2 Å²	120.2	63%	0.626	65%	0.651	S	S	*	*			cis	-128.1	141.5	25.5	-65.8	-28.8	0	0	0	114.7
271	I	29.6	Very low	29.5	Very low	111 Å²	111	120.5 Å²	120.5	57%	0.569	66%	0.655	S	S	*	*			trans	-80.5	154	143.2	0.9	176.3	0	0	0	105.7	R1012	I271-R1012 VanDerWaalsContact CG2-NH2 3.27Å
272	S	32.1	Very low	29.5	Very low	72 Å²	72	116.4 Å²	116.4	50%	0.503	65%	0.65	S	S	.	*			cis	-159.4	166.4	9	-161.4	0	0	0	0	108.7
273	E	31.7	Very low	29.4	Very low	133 Å²	133	116.2 Å²	116.2	62%	0.621	65%	0.648	S	S	*	*	S	Bend	trans	-146	113.3	130.5	-142.1	148.6	-133.6	0	0	111.2	V1013	E273-V1013 HydrophobicContact CB-CG2 4.28Å
274	Q	31.6	Very low	29.6	Very low	161 Å²	161	114.7 Å²	114.7	75%	0.752	64%	0.643	S	S	*	*			trans	52.8	138.6	149.4	-58.3	176.2	43.9	0	0	120.1
275	S	30.5	Very low	29.7	Very low	94 Å²	94	108.6 Å²	108.6	66%	0.657	63%	0.632	S	S	*	*			cis	-171.7	176.1	-9.8	63.3	0	0	0	0	108.5
276	A	27.6	Very low	30	Very low	57 Å²	57	109.2 Å²	109.2	47%	0.471	63%	0.633	S	S	.	*			cis	-160.6	153.6	9	0	0	0	0	0	112.6	D1540	A276-D1540 WeakPolarHBondContact O-CB 3.34Å
277	Q	28	Very low	29.9	Very low	115 Å²	115	108.2 Å²	108.2	54%	0.537	62%	0.618	S	S	.	*	S	Bend	trans	104.1	73	170.2	-55	-170.9	29	0	0	121.6	D1540 T1541	Q277-D1540 VanDerWaalsContact C-OD2 3.28Å; Q277-D1540 WeakPolarHBondContact CA-OD2 3.17Å; Q277-D1540 HydrophobicContact CB-CB 4.45Å; Q277-D1540 PolarHBondContact N-OD2 3.27Å; Q277-T1541 CarbonylContact O-C 3.48Å; Q277-T1541 VanDerWaalsContact O-C 3.29Å; Q277-T1541 WeakPolarHBondContact O-CA 3.27Å; Q277-T1541 PolarHBondContact O-N 2.82Å
278	F	27	Very low	30	Very low	138 Å²	138	109.6 Å²	109.6	61%	0.605	63%	0.627	S	S	*	*			trans	68.4	122.3	161	-52.2	-82.4	0	0	0	117.5	D1540 T1541 P1542	F278-D1540 WeakPolarHBondContact CA-OD1 3.11Å; F278-D1540 PolarHBondContact N-OD1 2.86Å; F278-D1540 PolarHBondContact N-OD2 3.38Å; F278-D1540 VanDerWaalsContact O-OD1 3.06Å; F278-T1541 PolarHBondContact O-OG1 2.93Å; F278-P1542 HydrophobicContact CD2-CB 4.17Å
279	L	27.7	Very low	30.2	Very low	103 Å²	103	109.6 Å²	109.6	54%	0.539	63%	0.631	S	S	.	*				-143.2	177.8	78.2	-151.7	60.6	0	0	0	117.2	E1539 D1540	L279-E1539 WeakPolarHBondContact CB-OE1 3.19Å; L279-E1539 PolarHBondContact N-OE1 2.85Å; L279-E1539 VanDerWaalsContact N-OE1 3.11Å; L279-D1540 PolarHBondContact N-OD1 3.44Å
280	I	31	Very low	30.4	Very low	126 Å²	126	110.2 Å²	110.2	65%	0.646	63%	0.63	S	S	*	*			trans	69.5	98.4	164.8	-49.4	179.4	0	0	0	118.5
281	P	31.5	Very low	30.3	Very low	119 Å²	119	110.8 Å²	110.8	77%	0.773	63%	0.628	S	S	*	*			trans	-80.4	160.3	163.4	32.7	-33.6	0	0	0	113.7
282	P	32	Very low	30	Very low	117 Å²	117	107.8 Å²	107.8	76%	0.76	62%	0.62	S	S	*	*			trans	-94.4	165.9	-158.1	36.7	-38.6	0	0	0	116.5	S284	P282-S284 PolarHBondContact O-N 2.86Å
283	P	32.8	Very low	29.6	Very low	127 Å²	127	110.4 Å²	110.4	83%	0.825	63%	0.626	S	S	*	*			trans	-75.8	83.7	176.1	32.4	-36.2	0	0	0	113.7
284	S	34.5	Very low	29.9	Very low	102 Å²	102	106.8 Å²	106.8	71%	0.713	61%	0.614	S	S	*	*			trans	49.7	113.3	141.6	65.3	0	0	0	0	121.3	P282	P282-S284 PolarHBondContact O-N 2.86Å
285	T	30	Very low	29.8	Very low	105 Å²	105	104.9 Å²	104.9	64%	0.644	61%	0.606	S	S	*	*				-152.9	154	120.6	-3.4	0	0	0	0	112.5	R877	T285-R877 PolarHBondContact O-NH2 3.36Å
286	V	31	Very low	29.7	Very low	89 Å²	89	109.4 Å²	109.4	54%	0.539	61%	0.614	S	S	.	*			trans	69	130.8	-179	-167	0	0	0	0	114.5
287	K	26.6	Very low	30	Very low	93 Å²	93	111.6 Å²	111.6	40%	0.404	62%	0.624	S	S	.	*			cis	147.6	153.8	-29.2	-89.1	-174.1	154.3	-169.8	0	108.8	D242	D242-K287 IonicContact OD1-NZ 2.65Å; D242-K287 PolarHBondContact OD1-NZ 2.75Å; D242-K287 IonicContact OD2-NZ 3.51Å; D242-K287 PolarHBondContact OD2-NZ 3.33Å
288	T	26.3	Very low	30	Very low	120 Å²	120	115.2 Å²	115.2	74%	0.736	64%	0.638	S	S	*	*			trans	66.2	149.7	177.2	72.8	0	0	0	0	114.6	L290	T288-L290 HydrophobicContact CG2-CD1 3.8Å; T288-L290 HydrophobicContact CG2-CG 4.32Å
289	S	33.2	Very low	30.1	Very low	99 Å²	99	114 Å²	114	69%	0.692	64%	0.642	S	S	*	*			cis	-87.8	143.3	-1.2	-141.3	0	0	0	0	110.9
290	L	27.9	Very low	30.1	Very low	116 Å²	116	115.9 Å²	115.9	61%	0.607	65%	0.652	S	S	*	*			cis	61.2	126.3	49.5	-55.2	167.7	0	0	0	111.4	T288 A292	T288-L290 HydrophobicContact CG2-CD1 3.8Å; T288-L290 HydrophobicContact CG2-CG 4.32Å; L290-A292 HydrophobicContact CD2-CB 3.94Å
291	H	32.6	Very low	30.5	Very low	129 Å²	129	114.8 Å²	114.8	60%	0.597	65%	0.653	S	S	*	*			cis	-133	150	47.4	-69.1	57.7	0	0	0	112.7	R1577 S1578	H291-R1577 VanDerWaalsContact CB-O 3.26Å; H291-R1577 WeakPolarHBondContact CB-O 3.45Å; H291-R1577 PolarHBondContact O-N 2.7Å; H291-S1578 WeakPolarHBondContact CB-O 3.26Å; H291-S1578 PolarHBondContact CD2-O 2.8Å; H291-S1578 VanDerWaalsContact CG-O 3.28Å
292	A	23.9	Very low	30.4	Very low	48 Å²	48	114 Å²	114	40%	0.397	65%	0.651	S	S	.	*			cis	71.9	95.9	18.1	0	0	0	0	0	117.2	L290 R1576 R1577	L290-A292 HydrophobicContact CD2-CB 3.94Å; A292-R1576 CarbonylContact C-O 3.18Å; A292-R1576 WeakPolarHBondContact CA-O 3.07Å; A292-R1576 PolarHBondContact N-O 2.61Å; A292-R1577 CarbonylContact C-O 3.51Å
293	M	24.8	Very low	30.3	Very low	128 Å²	128	113.9 Å²	113.9	63%	0.631	65%	0.648	S	S	*	*			trans	104.8	-175.2	173.8	-50.1	-56	-77	0	0	116.3	R1576 R1577	M293-R1576 PolarHBondContact N-O 2.92Å; M293-R1576 CarbonylContact O-C 3.12Å; M293-R1576 VanDerWaalsContact O-CB 3.3Å; M293-R1576 WeakPolarHBondContact O-CB 3.28Å; M293-R1577 CarbonylContact C-O 3.29Å; M293-R1577 PolarHBondContact N-O 3.37Å; M293-R1577 CarbonylContact O-C 3.41Å; M293-R1577 VanDerWaalsContact O-C 3.3Å; M293-R1577 WeakPolarHBondContact O-CA 3.19Å; M293-R1577 WeakPolarHBondContact O-CB 3.46Å; M293-R1577 PolarHBondContact O-N 3.27Å
294	P	37.1	Very low	30.3	Very low	56 Å²	56	114.2 Å²	114.2	36%	0.364	64%	0.643	S	S	.	*				-114.8	-155.7	-95.7	36	-22.5	0	0	0	115.8	R1576 S1578	P294-R1576 VanDerWaalsContact O-CD 3.29Å; P294-R1576 WeakPolarHBondContact O-CD 3.37Å; P294-R1576 PolarHBondContact O-NH1 2.76Å; P294-S1578 WeakPolarHBondContact CD-OG 3.36Å
295	M	29.3	Very low	30.3	Very low	121 Å²	121	115.2 Å²	115.2	60%	0.596	64%	0.639	S	S	*	*			trans	97.5	108.6	163.6	-55.7	-58.7	-177.4	0	0	120.8	R1576	M295-R1576 PolarHBondContact O-NH1 2.76Å; M295-R1576 PolarHBondContact O-NH2 3.03Å; M295-R1576 VanDerWaalsContact O-NH2 3.1Å
296	K	28.6	Very low	30.7	Very low	190 Å²	190	116.1 Å²	116.1	83%	0.826	64%	0.636	S	S	*	*			trans	79	154	135.3	-72.4	-176	177.2	-177.2	0	119
297	P	34	Very low	30.9	Very low	103 Å²	103	113.8 Å²	113.8	67%	0.669	63%	0.631	S	S	*	*				-122.3	-148.6	-129.4	46	-35.6	0	0	0	115
298	F	27.7	Very low	30.8	Very low	190 Å²	190	113.9 Å²	113.9	83%	0.833	65%	0.649	S	S	*	*			trans	81	140.3	-174.7	-64.9	-91.3	0	0	0	115.5
299	V	30.1	Very low	30.7	Very low	113 Å²	113	113.6 Å²	113.6	69%	0.685	65%	0.65	S	S	*	*			cis	-162.5	147.6	-28.6	99.6	0	0	0	0	111.4
300	N	27.9	Very low	30.3	Very low	143 Å²	143	114.9 Å²	114.9	77%	0.765	65%	0.654	S	S	*	*			trans	67.6	155	160.9	-80.5	-9.8	0	0	0	121.6
301	P	38	Very low	30.3	Very low	102 Å²	102	115 Å²	115	66%	0.662	65%	0.654	S	S	*	*				-145	172.5	-118.7	46.7	-28.2	0	0	0	119.5
302	S	29.6	Very low	30	Very low	103 Å²	103	115.9 Å²	115.9	72%	0.72	66%	0.658	S	S	*	*				30.7	149.7	128.5	-52.5	0	0	0	0	123
303	T	31.3	Very low	30.2	Very low	115 Å²	115	119.8 Å²	119.8	71%	0.706	68%	0.682	S	S	*	*			cis	-172.6	145	0	21.5	0	0	0	0	114
304	N	31.1	Very low	30.4	Very low	133 Å²	133	119 Å²	119	71%	0.711	68%	0.677	S	S	*	*			trans	44.7	123	138.5	-72.8	-40	0	0	0	126.4
305	L	35.6	Very low	30	Very low	123 Å²	123	118 Å²	118	64%	0.644	67%	0.672	S	S	*	*			trans	74.3	124	136.2	-94.5	79.6	0	0	0	124	T28 G307	T28-L305 VanDerWaalsContact CG2-O 3.26Å; T28-L305 WeakPolarHBondContact CG2-O 2.92Å; L305-G307 VanDerWaalsContact C-N 3.32Å; L305-G307 PolarHBondContact O-N 2.95Å
306	Q	38.8	Very low	30	Very low	124 Å²	124	115.3 Å²	115.3	58%	0.579	66%	0.662	S	S	*	*			trans	47.2	18.6	137.3	-100.3	64.6	10	0	0	121.7	T28	T28-Q306 WeakPolarHBondContact CA-O 3.41Å; T28-Q306 VanDerWaalsContact CB-O 3.28Å; T28-Q306 WeakPolarHBondContact CB-O 3.27Å; T28-Q306 HydrophobicContact CG2-CB 3.83Å; T28-Q306 WeakPolarHBondContact CG2-O 3.14Å
307	G	34.2	Very low	30.1	Very low	41 Å²	41	108.2 Å²	108.2	42%	0.423	64%	0.635	S	S	.	*			trans	-73.9	136.4	163.2	0	0	0	0	0	111.2	L305	L305-G307 VanDerWaalsContact C-N 3.32Å; L305-G307 PolarHBondContact O-N 2.95Å
308	A	25	Very low	30	Very low	95 Å²	95	103.5 Å²	103.5	79%	0.785	60%	0.604	S	S	*	*	S	Bend	trans	-69	143.4	155	0	0	0	0	0	108.4
309	C	23.7	Very low	30.2	Very low	113 Å²	113	96.4 Å²	96.4	76%	0.764	57%	0.574	S	S	*	*			trans	53.6	129.4	-161.9	57.8	0	0	0	0	115.1
310	V	25.1	Very low	30.2	Very low	126 Å²	126	95 Å²	95	76%	0.764	56%	0.562	S	S	*	*			cis	66.6	142	46.1	-176.8	0	0	0	0	111.3
311	I	27.3	Very low	30.1	Very low	120 Å²	120	94.7 Å²	94.7	62%	0.615	56%	0.558	S	S	*	*			trans	70.6	87.6	-177.7	-70.6	151.4	0	0	0	111.8
312	Q	27.4	Very low	29.7	Very low	147 Å²	147	98.8 Å²	98.8	69%	0.687	56%	0.561	S	S	*	*				76.7	135.8	84.3	-72.8	164.6	-7.3	0	0	113.1	Q314	Q312-Q314 HydrophobicContact CB-CG 3.83Å; Q312-Q314 PolarHBondContact O-NE2 2.87Å
313	S	27.1	Very low	29.9	Very low	129 Å²	129	95.8 Å²	95.8	90%	0.902	55%	0.547	S	S	*	.			trans	-128.9	85.7	146.1	-68.6	0	0	0	0	106.1
314	Q	30.2	Very low	29.9	Very low	111 Å²	111	94 Å²	94	52%	0.519	54%	0.539	S	S	.	.				74.3	99.2	67.5	-67.7	-178.4	62.9	0	0	113.3	Q312 T316	Q312-Q314 HydrophobicContact CB-CG 3.83Å; Q312-Q314 PolarHBondContact O-NE2 2.87Å; Q314-T316 HydrophobicContact CB-CG2 4Å
315	S	28.1	Very low	29.9	Very low	37 Å²	37	91.4 Å²	91.4	26%	0.259	53%	0.525	S	S	.	.				-116.7	114.3	107.2	177.9	0	0	0	0	106.4
316	T	28.9	Very low	29.8	Very low	64 Å²	64	92 Å²	92	39%	0.393	53%	0.528	S	S	.	.				71.9	145	59.4	67.2	0	0	0	0	114.2	Q314 K1828	Q314-T316 HydrophobicContact CB-CG2 4Å; T316-K1828 WeakPolarHBondContact O-CG 3.49Å
317	V	30.9	Very low	29.4	Very low	41 Å²	41	92.9 Å²	92.9	25%	0.248	53%	0.534	C	S	.	.			trans	76.5	135.7	174.6	-176.8	0	0	0	0	112.5	P466 K1828 V1829	V317-P466 HydrophobicContact CG1-CG 4.41Å; V317-K1828 HydrophobicContact CB-CD 4Å; V317-K1828 HydrophobicContact CG1-CD 4.01Å; V317-K1828 WeakPolarHBondContact O-CB 3.08Å; V317-K1828 WeakPolarHBondContact O-CD 3.27Å; V317-K1828 WeakPolarHBondContact O-CG 3.41Å; V317-V1829 WeakPolarHBondContact O-CA 3.14Å
318	S	31.5	Very low	29.3	Very low	4 Å²	4	97 Å²	97	3%	0.028	55%	0.551	C	S	.	*			cis	-164.7	174	-21.8	-101	0	0	0	0	112.9	P466 K467 S468 V1829 K1830	S318-P466 WeakPolarHBondContact CB-O 3.28Å; S318-P466 WeakPolarHBondContact O-CG 3.33Å; S318-K467 WeakPolarHBondContact CB-O 3.26Å; S318-K467 PolarHBondContact OG-O 3.27Å; S318-S468 PolarHBondContact OG-OG 2.8Å; S318-V1829 WeakPolarHBondContact O-CG1 3.34Å; S318-K1830 CarbonylContact C-O 3.07Å; S318-K1830 VanDerWaalsContact O-O 3.07Å; S318-K1830 PolarHBondContact OG-NZ 2.76Å
319	Q	31.9	Very low	29.4	Very low	41 Å²	41	96.6 Å²	96.6	19%	0.192	54%	0.543	C	S	.	.			trans	-21	167.5	170.5	-72.5	-169.3	-23.4	0	0	119.4	P466 K467 K1830 P1831	Q319-P466 WeakPolarHBondContact O-CB 3.15Å; Q319-K467 HydrophobicContact CB-CB 4.13Å; Q319-K467 WeakPolarHBondContact CB-O 3.43Å; Q319-K467 WeakPolarHBondContact CG-O 3.4Å; Q319-K467 PolarHBondContact OE1-O 3.32Å; Q319-K1830 PolarHBondContact N-O 3.26Å; Q319-P1831 HydrophobicContact CB-CB 4.22Å; Q319-P1831 HydrophobicContact CG-CB 3.42Å; Q319-P1831 VanDerWaalsContact CG-CB 3.42Å
320	N	29.9	Very low	29.9	Very low	83 Å²	83	98.4 Å²	98.4	44%	0.444	55%	0.545	S	S	.	.			cis	-174.3	146.1	-3.6	-104.8	-7.1	0	0	0	102.6
321	M	26	Very low	30.4	Very low	136 Å²	136	97.3 Å²	97.3	67%	0.67	54%	0.539	S	S	*	.				40.1	134.5	117.9	-52.9	-164.8	-67.8	0	0	119
322	Y	30.8	Very low	30.6	Very low	188 Å²	188	99.2 Å²	99.2	74%	0.737	54%	0.538	S	S	*	.			trans	68.2	140.3	-178.9	-47.5	-84.2	0	0	0	113.3	F652	Y322-F652 VanDerWaalsContact CB-CE2 3.47Å; Y322-F652 HydrophobicContact CD1-CZ 4.39Å; Y322-F652 HydrophobicContact CD2-CZ 4.46Å; Y322-F652 HydrophobicContact CG-CE2 4.25Å; Y322-F652 AromaticContact CG-CZ 3.91Å; Y322-F652 HydrophobicContact CG-CZ 3.91Å
323	G	32.6	Very low	30.6	Very low	41 Å²	41	96.9 Å²	96.9	42%	0.423	54%	0.538	S	S	.	.			cis	126.8	139.2	4.5	0	0	0	0	0	110	F652	G323-F652 WeakPolarHBondContact O-CD2 3.47Å; G323-F652 WeakPolarHBondContact O-CE2 3.05Å
324	S	30.9	Very low	30.8	Very low	76 Å²	76	94.6 Å²	94.6	53%	0.531	53%	0.527	S	S	.	.			cis	-159.2	-161.5	8.5	24.9	0	0	0	0	110.2	E650	S324-E650 WeakPolarHBondContact CA-OE2 3.41Å; S324-E650 WeakPolarHBondContact CB-OE2 3.26Å; S324-E650 PolarHBondContact N-OE2 3.48Å; S324-E650 PolarHBondContact OG-OE2 3.49Å
325	N	31.3	Very low	30.7	Very low	80 Å²	80	93.3 Å²	93.3	43%	0.428	54%	0.536	S	S	.	.			trans	86.2	138.7	-171.5	-70	0.3	0	0	0	116.3	V649 E650	N325-V649 PolarHBondContact ND2-O 3.39Å; N325-E650 HydrophobicContact CB-CB 4.07Å; N325-E650 VanDerWaalsContact ND2-CB 3.35Å; N325-E650 WeakPolarHBondContact ND2-CB 3.28Å; N325-E650 WeakPolarHBondContact ND2-CG 3.17Å; N325-E650 VanDerWaalsContact OD1-CD 3.23Å; N325-E650 PolarHBondContact OD1-OE1 3.16Å
326	L	33.7	Very low	30.6	Very low	135 Å²	135	99 Å²	99	71%	0.707	56%	0.563	S	S	*	*	S	Bend	cis	-139.5	153.6	-11.9	-144.5	66.5	0	0	0	105.7
327	M	30.1	Very low	30.7	Very low	142 Å²	142	102 Å²	102	70%	0.7	58%	0.581	S	S	*	*			cis	-156.7	149.9	21.8	-169.2	139.5	62.8	0	0	110.7
328	T	31.9	Very low	30.8	Very low	128 Å²	128	104.9 Å²	104.9	79%	0.785	60%	0.603	S	S	*	*			trans	59.8	141.5	165.7	50.5	0	0	0	0	120.6
329	S	27.4	Very low	30.9	Very low	86 Å²	86	114.6 Å²	114.6	60%	0.601	64%	0.64	S	S	*	*			cis	-177.8	151.9	-28.6	44.4	0	0	0	0	110.3
330	N	34.2	Very low	31	Very low	151 Å²	151	118.6 Å²	118.6	81%	0.807	67%	0.668	S	S	*	*			trans	68.9	161.1	151.2	-62.6	-6.5	0	0	0	120.3
331	T	37	Very low	31.2	Very low	104 Å²	104	126.2 Å²	126.2	64%	0.638	69%	0.69	S	S	*	*				-156.4	161.2	-53.9	-30.7	0	0	0	0	108.8
332	W	31.5	Very low	31.3	Very low	159 Å²	159	127.3 Å²	127.3	60%	0.602	70%	0.699	S	S	*	*			trans	69.5	140.6	170	-61.1	-12	0	0	0	116.8	Q2101 Q2102	W332-Q2101 VanDerWaalsContact CH2-O 3.3Å; W332-Q2101 WeakPolarHBondContact CH2-O 3.26Å; W332-Q2102 HydrophobicContact CD2-CG 4.44Å; W332-Q2102 HydrophobicContact CE3-CG 3.83Å; W332-Q2102 HydrophobicContact CH2-CG 3.85Å; W332-Q2102 HydrophobicContact CZ2-CG 4.42Å; W332-Q2102 HydrophobicContact CZ3-CB 4.4Å; W332-Q2102 HydrophobicContact CZ3-CG 3.51Å
333	S	26	Very low	31.1	Very low	99 Å²	99	123.8 Å²	123.8	69%	0.692	70%	0.7	S	S	*	*			cis	89.2	134	13.9	-49.8	0	0	0	0	117.4	Q2102	S333-Q2102 PolarHBondContact O-NE2 2.71Å
334	A	31.7	Very low	30.9	Very low	81 Å²	81	127 Å²	127	67%	0.669	72%	0.717	S	S	*	*			trans	62.7	164.7	-179.3	0	0	0	0	0	115.5
335	A	27.5	Very low	31.1	Very low	84 Å²	84	130 Å²	130	69%	0.694	73%	0.731	S	S	*	*			cis	-168.6	141.6	-43	0	0	0	0	0	106.6
336	D	26.2	Very low	31.2	Very low	157 Å²	157	131 Å²	131	84%	0.84	74%	0.744	S	S	*	*			trans	55.6	146.7	162.9	-80.1	-49.3	0	0	0	123.1
337	V	32.8	Very low	31.9	Very low	126 Å²	126	132.2 Å²	132.2	76%	0.764	75%	0.746	S	S	*	*			trans	60.8	102.5	160	-178.9	0	0	0	0	119.1
338	S	32.9	Very low	32.3	Very low	101 Å²	101	132 Å²	132	71%	0.706	76%	0.755	S	S	*	*	S	Bend	trans	71.5	118.7	153.4	-56.9	0	0	0	0	119.7
339	Y	32.2	Very low	32.3	Very low	209 Å²	209	129.1 Å²	129.1	82%	0.82	75%	0.751	S	S	*	*			cis	-158.3	129.9	-7.1	-127.7	-87.9	0	0	0	110
340	T	33.8	Very low	33.1	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	76%	0.762	S	S	*	*			trans	86.6	106.6	165.2	74.1	0	0	0	0	124.2
341	R	34.9	Very low	33.8	Very low	243 Å²	243	127.4 Å²	127.4	92%	0.917	75%	0.746	S	S	*	*			trans	72.2	135.5	145	-66.3	-171.3	173.6	-165.6	-1.3	123.6
342	N	28.2	Very low	34.2	Very low	160 Å²	160	126.9 Å²	126.9	86%	0.856	75%	0.745	S	S	*	*			trans	-141.7	177.9	-173.4	-67.5	-13.3	0	0	0	112.2
343	C	27	Very low	34.6	Very low	113 Å²	113	126.8 Å²	126.8	76%	0.764	76%	0.755	S	S	*	*			cis	-166.8	170.1	-48.5	-96.9	0	0	0	0	113.5
344	S	28.2	Very low	35.2	Very low	110 Å²	110	128 Å²	128	77%	0.769	75%	0.754	S	S	*	*			trans	74.9	141.8	169.9	-53.2	0	0	0	0	118.8
345	V	35.3	Very low	35.2	Very low	137 Å²	137	131.4 Å²	131.4	83%	0.83	76%	0.76	S	S	*	*			cis	83.1	141.5	5.7	-151.6	0	0	0	0	114.4
346	S	32.9	Very low	35.9	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	75%	0.754	S	S	*	*			cis	-145.7	169.9	26.4	-44.1	0	0	0	0	114.9
347	H	47.5	Very low	36.4	Very low	162 Å²	162	134.4 Å²	134.4	75%	0.75	75%	0.754	S	S	*	*			trans	-149.4	155.6	179.5	-47.7	-35.5	0	0	0	116.3
348	P	39.9	Very low	36.2	Very low	137 Å²	137	132.5 Å²	132.5	89%	0.89	75%	0.747	S	S	*	*			trans	-97.2	-165.8	170.1	41	-37	0	0	0	113.8
349	G	31.8	Very low	36.3	Very low	68 Å²	68	135.4 Å²	135.4	70%	0.701	75%	0.753	S	S	*	*			cis	-176.8	178.8	0.7	0	0	0	0	0	113.5
350	P	42.9	Very low	36.3	Very low	128 Å²	128	129.2 Å²	129.2	83%	0.831	75%	0.745	S	S	*	*			trans	-132.2	166.6	-165.4	42.3	-27.4	0	0	0	119.9
351	P	49.2	Very low	36.1	Very low	73 Å²	73	128.7 Å²	128.7	47%	0.474	75%	0.746	S	S	.	*			trans	-123.4	177	175.1	42.5	-31.2	0	0	0	117.8
352	P	44.8	Very low	36.1	Very low	93 Å²	93	123.7 Å²	123.7	60%	0.604	74%	0.736	S	S	*	*			trans	-132.6	175.3	-166.7	44.1	-28.7	0	0	0	120.5
353	L	39.9	Very low	36.1	Very low	157 Å²	157	122 Å²	122	82%	0.822	73%	0.727	S	S	*	*			trans	57.6	138.6	168.3	-62.7	-177.7	0	0	0	122.5
354	N	38.5	Very low	36.3	Very low	125 Å²	125	120.8 Å²	120.8	67%	0.668	72%	0.717	S	S	*	*			cis	-167.1	126	-40.6	-127.9	-0	0	0	0	115.7
355	L	31.6	Very low	36.2	Very low	152 Å²	152	117 Å²	117	80%	0.796	69%	0.69	S	S	*	*			trans	48.3	179.8	136.4	-77.1	174.3	0	0	0	123.4
356	P	44.1	Very low	35.7	Very low	87 Å²	87	111.9 Å²	111.9	57%	0.565	67%	0.665	S	S	*	*			cis	-136.7	-174.1	-15.4	22.1	4.6	0	0	0	117.5
357	Y	35.8	Very low	35.5	Very low	216 Å²	216	112.4 Å²	112.4	85%	0.847	66%	0.658	S	S	*	*			trans	72.8	146.5	155.5	-66.7	-56.3	0	0	0	121.5
358	S	29.2	Very low	34.6	Very low	87 Å²	87	109.5 Å²	109.5	61%	0.608	65%	0.652	S	S	*	*			cis	-169.1	165.3	-24.1	-145.5	0	0	0	0	113
359	I	34	Very low	34.1	Very low	161 Å²	161	107.7 Å²	107.7	83%	0.826	64%	0.643	S	S	*	*			trans	62.9	141.6	155.3	-69	159.6	0	0	0	117.7
360	A	32.5	Very low	34.3	Very low	79 Å²	79	110.4 Å²	110.4	65%	0.653	64%	0.641	S	S	*	*			cis	-162.6	178.7	-26.8	0	0	0	0	0	108.9
361	S	29.4	Very low	33.8	Very low	113 Å²	113	109.3 Å²	109.3	79%	0.79	64%	0.643	S	S	*	*			trans	5.7	148	158.9	-46.1	0	0	0	0	120.5
362	I	34.4	Very low	33	Very low	138 Å²	138	110.4 Å²	110.4	71%	0.708	65%	0.645	S	S	*	*			cis	-146.6	-178.9	37.7	-58	163.7	0	0	0	110.2	Y2356	I362-Y2356 PolarHBondContact O-OH 3.45Å; I362-Y2356 VanDerWaalsContact O-OH 3.06Å
363	N	28.7	Very low	32.1	Very low	124 Å²	124	112.8 Å²	112.8	66%	0.663	64%	0.642	S	S	*	*			trans	-81.7	162.1	169.2	-55.6	-71.1	0	0	0	113.5	Y2356	N363-Y2356 PolarHBondContact O-OH 2.94Å
364	T	31.8	Very low	31.5	Very low	89 Å²	89	107.2 Å²	107.2	55%	0.546	62%	0.616	S	S	.	*			trans	110.8	53.9	159.3	-36.7	0	0	0	0	118.2	Y2356 S2357	T364-Y2356 VanDerWaalsContact O-CD1 3.22Å; T364-Y2356 WeakPolarHBondContact O-CD1 3.26Å; T364-Y2356 WeakPolarHBondContact O-CE1 3.45Å; T364-S2357 PolarHBondContact O-OG 3.41Å
365	C	25.1	Very low	31.1	Very low	30 Å²	30	104.8 Å²	104.8	20%	0.203	60%	0.603	C	S	.	*				25.1	127.6	99.8	-75.7	0	0	0	0	116	I2353 F2355 S2357	C365-I2353 WeakPolarHBondContact SG-CG2 3.27Å; C365-F2355 VanDerWaalsContact CA-CB 3.42Å; C365-F2355 VanDerWaalsContact CA-CE1 3.49Å; C365-F2355 HydrophobicContact CB-CB 3.62Å; C365-F2355 HydrophobicContact CB-CD1 2.35Å; C365-F2355 HydrophobicContact CB-CD2 2.33Å; C365-F2355 HydrophobicContact CB-CE1 2.35Å; C365-F2355 HydrophobicContact CB-CE2 2.35Å; C365-F2355 HydrophobicContact CB-CG 2.35Å; C365-F2355 HydrophobicContact CB-CZ 2.35Å; C365-F2355 VanDerWaalsContact N-CG 3.33Å; C365-F2355 WeakPolarHBondContact SG-CD1 3.26Å; C365-F2355 WeakPolarHBondContact SG-CD2 3.03Å; C365-F2355 WeakPolarHBondContact SG-CE1 3.18Å; C365-F2355 WeakPolarHBondContact SG-CE2 3.11Å; C365-F2355 WeakPolarHBondContact SG-CG 3.26Å; C365-F2355 WeakPolarHBondContact SG-CZ 3.43Å; C365-S2357 PolarHBondContact O-OG 2.91Å
366	G	26.4	Very low	31.1	Very low	30 Å²	30	98.2 Å²	98.2	31%	0.309	57%	0.569	S	S	.	*			cis	-138.9	144.1	31.8	0	0	0	0	0	116.4	Y2356 S2357	G366-Y2356 CarbonylContact C-O 3.46Å; G366-Y2356 VanDerWaalsContact C-O 3.26Å; G366-Y2356 CarbonylContact O-C 2.7Å; G366-S2357 PolarHBondContact N-OG 3.07Å; G366-S2357 WeakPolarHBondContact O-CA 3.14Å
367	I	27.4	Very low	30.3	Very low	112 Å²	112	95.8 Å²	95.8	57%	0.574	55%	0.554	S	S	*	*			trans	56.7	130.6	159.4	60.3	166.9	0	0	0	119.4	F2355 Y2356	I367-F2355 VanDerWaalsContact N-C 3.3Å; I367-F2355 VanDerWaalsContact N-CA 3.35Å; I367-Y2356 CarbonylContact C-O 2.87Å; I367-Y2356 PolarHBondContact N-O 2.86Å
368	T	28.4	Very low	30	Very low	100 Å²	100	87.7 Å²	87.7	61%	0.613	54%	0.536	S	S	*	.			cis	-174	165.6	31.8	-9.4	0	0	0	0	114.6	Y2356	T368-Y2356 PolarHBondContact N-O 3.02Å
369	S	30.5	Very low	30	Very low	100 Å²	100	87.6 Å²	87.6	70%	0.699	53%	0.526	S	S	*	.			trans	68.4	150.9	140.7	-61.7	0	0	0	0	120.5
370	D	35.4	Very low	29.6	Very low	125 Å²	125	85.4 Å²	85.4	67%	0.668	51%	0.511	S	S	*	.				-155.3	132.8	102.3	-124.3	-15.5	0	0	0	116.1	N372	D370-N372 VanDerWaalsContact OD1-CB 3.27Å; D370-N372 WeakPolarHBondContact OD1-CB 3.25Å; D370-N372 PolarHBondContact OD1-N 3.49Å; D370-N372 PolarHBondContact OD1-ND2 3.36Å; D370-N372 PolarHBondContact OD2-ND2 3.34Å
371	A	32.3	Very low	29.3	Very low	104 Å²	104	85.5 Å²	85.5	86%	0.86	50%	0.498	S	S	*	.			trans	-139.5	61.9	158.7	0	0	0	0	0	105.8
372	N	33.3	Very low	29.2	Very low	96 Å²	96	83.1 Å²	83.1	51%	0.513	48%	0.477	S	S	.	.			trans	-69.5	137.1	-162	-143.6	-40.8	0	0	0	112.1	D370	D370-N372 VanDerWaalsContact OD1-CB 3.27Å; D370-N372 WeakPolarHBondContact OD1-CB 3.25Å; D370-N372 PolarHBondContact OD1-N 3.49Å; D370-N372 PolarHBondContact OD1-ND2 3.36Å; D370-N372 PolarHBondContact OD2-ND2 3.34Å
373	R	26.6	Very low	28.8	Very low	144 Å²	144	81.6 Å²	81.6	54%	0.543	47%	0.467	S	S	.	.				-171.3	125.1	120.8	-101.4	172.7	-171.4	-161.3	4.8	108.9	P2190 Y2191	R373-P2190 PolarHBondContact NH1-O 3.43Å; R373-P2190 PolarHBondContact NH2-O 2.92Å; R373-Y2191 PolarHBondContact NH1-O 2.98Å
374	S	25.4	Very low	28.7	Very low	40 Å²	40	79.5 Å²	79.5	28%	0.28	46%	0.458	S	S	.	.			trans	63.3	117.3	-179.2	75.6	0	0	0	0	112.7	K1141 P2363 S2364	S374-K1141 PolarHBondContact OG-NZ 3.32Å; S374-P2363 VanDerWaalsContact CB-O 3.28Å; S374-P2363 WeakPolarHBondContact CB-O 3.46Å; S374-S2364 VanDerWaalsContact CB-C 3.45Å; S374-S2364 WeakPolarHBondContact CB-O 3.06Å; S374-S2364 PolarHBondContact OG-O 3.32Å
375	L	31.1	Very low	28.5	Very low	74 Å²	74	77.7 Å²	77.7	39%	0.387	45%	0.447	S	S	.	.			cis	50.8	146.1	44.1	-52.2	170.5	0	0	0	111.4	Y2362 P2363 S2364	L375-Y2362 WeakPolarHBondContact CD1-O 3.46Å; L375-P2363 CarbonylContact C-O 3.28Å; L375-P2363 WeakPolarHBondContact CB-O 2.93Å; L375-P2363 CarbonylContact O-C 3.52Å; L375-P2363 VanDerWaalsContact O-C 3.24Å; L375-S2364 PolarHBondContact O-N 3.46Å
376	P	32.4	Very low	28.7	Very low	14 Å²	14	79.3 Å²	79.3	9%	0.091	46%	0.459	C	S	.	.			cis	-79.6	132.3	7.4	-6.7	24.5	0	0	0	115.1	Y1143 Y2362 P2363	P376-Y1143 HydrophobicContact CB-CE1 4.39Å; P376-Y1143 HydrophobicContact CG-CD1 4.27Å; P376-Y1143 HydrophobicContact CG-CE1 4.33Å; P376-Y1143 WeakPolarHBondContact O-CE1 3.42Å; P376-Y1143 PolarHBondContact O-OH 3.49Å; P376-Y2362 HydrophobicContact CB-CD1 3.67Å; P376-Y2362 HydrophobicContact CB-CD2 4.47Å; P376-Y2362 HydrophobicContact CB-CE1 3.8Å; P376-Y2362 HydrophobicContact CB-CG 4.01Å; P376-Y2362 HydrophobicContact CG-CD1 4.18Å; P376-Y2362 HydrophobicContact CG-CE1 4.33Å; P376-P2363 HydrophobicContact CG-CB 4.15Å
377	S	27.4	Very low	29.2	Very low	35 Å²	35	81.4 Å²	81.4	25%	0.245	47%	0.467	C	S	.	.			trans	-26.7	165.4	131.5	59.7	0	0	0	0	116.2	Q2361 Y2362	S377-Q2361 WeakPolarHBondContact OG-CA 3.28Å; S377-Y2362 WeakPolarHBondContact OG-CD2 3.18Å; S377-Y2362 VanDerWaalsContact OG-CE2 3.23Å; S377-Y2362 WeakPolarHBondContact OG-CE2 3.34Å; S377-Y2362 PolarHBondContact OG-N 3.49Å
378	G	28.5	Very low	29.5	Very low	46 Å²	46	77.4 Å²	77.4	47%	0.474	45%	0.453	S	S	.	.				71.4	125.7	129.5	0	0	0	0	0	117.1	Y2362	G378-Y2362 PolarHBondContact O-OH 2.76Å
379	Q	28.7	Very low	29.8	Very low	86 Å²	86	76.5 Å²	76.5	40%	0.402	45%	0.447	S	S	.	.			cis	-141.9	145.4	30.9	-83.1	-176.6	-34.2	0	0	111.1	L2326	Q379-L2326 HydrophobicContact CB-CD2 4.45Å
380	F	26.1	Very low	30	Very low	115 Å²	115	78 Å²	78	50%	0.504	45%	0.446	S	S	.	.			trans	38.8	107.9	137	-70.4	-73.5	0	0	0	119.1	Y2327	F380-Y2327 HydrophobicContact CB-CD1 3.56Å; F380-Y2327 HydrophobicContact CB-CE1 3.58Å; F380-Y2327 HydrophobicContact CB-CG 4.37Å; F380-Y2327 AromaticContact CD1-CD1 3.6Å; F380-Y2327 HydrophobicContact CD1-CD1 3.6Å; F380-Y2327 AromaticContact CD1-CE1 3.56Å; F380-Y2327 HydrophobicContact CD1-CE1 3.56Å; F380-Y2327 HydrophobicContact CD2-CD1 4.16Å; F380-Y2327 AromaticContact CD2-CE1 3.36Å; F380-Y2327 HydrophobicContact CD2-CE1 3.36Å; F380-Y2327 HydrophobicContact CE1-CD1 4.26Å; F380-Y2327 AromaticContact CE1-CE1 3.99Å; F380-Y2327 HydrophobicContact CE1-CE1 3.99Å; F380-Y2327 AromaticContact CE2-CE1 3.82Å; F380-Y2327 HydrophobicContact CE2-CE1 3.82Å; F380-Y2327 AromaticContact CG-CD1 3.53Å; F380-Y2327 HydrophobicContact CG-CD1 3.53Å; F380-Y2327 AromaticContact CG-CE1 3.21Å; F380-Y2327 HydrophobicContact CG-CE1 3.21Å; F380-Y2327 HydrophobicContact CZ-CE1 4.1Å
381	M	27.1	Very low	29.6	Very low	80 Å²	80	77.7 Å²	77.7	39%	0.394	45%	0.445	S	S	.	.				72.1	95.3	107.1	-115.2	-167.9	-176.1	0	0	115.6	Y2327 G2328 P2329	M381-Y2327 HydrophobicContact CB-CD1 4.48Å; M381-Y2327 CarbonylContact O-C 3.21Å; M381-Y2327 VanDerWaalsContact O-CA 3.25Å; M381-Y2327 WeakPolarHBondContact O-CA 3.25Å; M381-Y2327 HydrophobicContact SD-CD1 3.76Å; M381-Y2327 HydrophobicContact SD-CG 4.36Å; M381-G2328 WeakPolarHBondContact CE-O 3.03Å; M381-G2328 VanDerWaalsContact CG-CA 3.46Å; M381-G2328 VanDerWaalsContact CG-N 3.31Å; M381-G2328 PolarHBondContact O-N 3.32Å; M381-G2328 VanDerWaalsContact O-N 3.16Å; M381-G2328 PolarHBondContact SD-N 2.9Å; M381-P2329 HydrophobicContact CB-CB 4.19Å; M381-P2329 HydrophobicContact CE-CG 4.21Å; M381-P2329 HydrophobicContact CG-CB 3.43Å; M381-P2329 VanDerWaalsContact CG-CB 3.43Å; M381-P2329 HydrophobicContact CG-CG 3.83Å
382	N	26.7	Very low	29.7	Very low	64 Å²	64	78.6 Å²	78.6	34%	0.342	44%	0.444	S	S	.	.				-175.7	158.6	112.4	-142	-6.8	0	0	0	116.8	Y2327 G2328	N382-Y2327 VanDerWaalsContact CB-O 3.28Å; N382-Y2327 WeakPolarHBondContact CB-O 3.13Å; N382-Y2327 PolarHBondContact ND2-O 2.89Å; N382-G2328 VanDerWaalsContact CB-CA 3.43Å; N382-G2328 WeakPolarHBondContact ND2-CA 3.48Å; N382-G2328 WeakPolarHBondContact OD1-CA 3.46Å
383	H	25.2	Very low	29.5	Very low	106 Å²	106	82.5 Å²	82.5	49%	0.491	46%	0.457	S	S	.	.			trans	51.1	137	146.3	-75	-20.2	0	0	0	121.8
384	V	26.3	Very low	29.3	Very low	79 Å²	79	84 Å²	84	48%	0.479	46%	0.464	S	S	.	.			trans	54.2	104.1	141.4	-175.7	0	0	0	0	117.3	F2331	V384-F2331 HydrophobicContact CG2-CE2 4.19Å; V384-F2331 HydrophobicContact CG2-CZ 4.42Å
385	T	27.7	Very low	29.2	Very low	51 Å²	51	85.6 Å²	85.6	31%	0.313	48%	0.475	S	S	.	.			trans	17.7	125.2	147.3	3.3	0	0	0	0	118.6	F2331 A2334	T385-F2331 HydrophobicContact CG2-CD1 3.72Å; T385-F2331 HydrophobicContact CG2-CE1 4.09Å; T385-F2331 WeakPolarHBondContact OG1-CD1 3.28Å; T385-F2331 WeakPolarHBondContact OG1-CE1 3.23Å; T385-A2334 HydrophobicContact CG2-CB 4.1Å
386	S	30.4	Very low	29.1	Very low	65 Å²	65	84.3 Å²	84.3	46%	0.455	47%	0.47	S	S	.	.				72.1	175.3	129.2	-78.9	0	0	0	0	118.1	A2334	S386-A2334 WeakPolarHBondContact CB-O 3.41Å; S386-A2334 WeakPolarHBondContact OG-CA 3.27Å; S386-A2334 PolarHBondContact OG-N 3.08Å; S386-A2334 PolarHBondContact OG-O 3.34Å
387	P	36.7	Very low	28.8	Very low	74 Å²	74	86.9 Å²	86.9	48%	0.481	48%	0.481	S	S	.	.			cis	-128.9	-128.1	-41.2	34.8	-17.8	0	0	0	108.2	V389 A2334 S2335 H2336	P387-V389 HydrophobicContact CG-CG2 4Å; P387-A2334 WeakPolarHBondContact CB-O 3.38Å; P387-S2335 WeakPolarHBondContact CB-OG 3.08Å; P387-S2335 WeakPolarHBondContact CG-OG 2.91Å; P387-H2336 HydrophobicContact CB-CB 4.18Å
388	G	34.4	Very low	29.3	Very low	27 Å²	27	88.8 Å²	88.8	28%	0.278	49%	0.492	S	S	.	.			trans	-158.2	29.6	154.1	0	0	0	0	0	111.3	I390 H2336	G388-I390 WeakPolarHBondContact O-CG1 3.38Å; G388-I390 PolarHBondContact O-N 2.58Å; G388-H2336 VanDerWaalsContact N-CG 3.33Å; G388-H2336 PolarHBondContact O-CE1 3.05Å; G388-H2336 PolarHBondContact O-ND1 2.95Å; G388-H2336 VanDerWaalsContact O-ND1 3.12Å
389	V	34.3	Very low	29.3	Very low	81 Å²	81	90.6 Å²	90.6	49%	0.491	49%	0.491	S	S	.	.			trans	31.8	-113.8	-174.9	-158.2	0	0	0	0	114	P387 H2336	P387-V389 HydrophobicContact CG-CG2 4Å; V389-H2336 PolarHBondContact O-ND1 2.71Å
390	I	34.3	Very low	29.2	Very low	132 Å²	132	91.2 Å²	91.2	68%	0.677	49%	0.494	S	S	*	.			cis	-129.2	-177.1	-11.5	-16.6	168.4	0	0	0	109.6	G388	G388-I390 WeakPolarHBondContact O-CG1 3.38Å; G388-I390 PolarHBondContact O-N 2.58Å
391	D	27.8	Very low	29.3	Very low	119 Å²	119	87.4 Å²	87.4	64%	0.636	48%	0.482	S	S	*	.			trans	-66.2	138.5	-170.7	-55.5	-71.3	0	0	0	116.2
392	S	33.3	Very low	29.3	Very low	122 Å²	122	92.4 Å²	92.4	85%	0.853	50%	0.496	S	S	*	.				-167.7	130.7	129.6	-80.9	0	0	0	0	109.5
393	F	28.9	Very low	29.4	Very low	178 Å²	178	96 Å²	96	78%	0.781	51%	0.514	S	S	*	.			trans	-101.1	160.6	-173.1	-81.3	-97.3	0	0	0	113.6
394	Y	22.9	Very low	29.5	Very low	176 Å²	176	94.9 Å²	94.9	69%	0.69	52%	0.523	S	S	*	.			trans	82.3	99.5	169.3	-73.9	-84.1	0	0	0	121
395	S	23	Very low	29.5	Very low	73 Å²	73	97.4 Å²	97.4	51%	0.51	54%	0.539	S	S	.	.			trans	88.5	155.3	130.1	-147.4	0	0	0	0	123
396	T	29.1	Very low	29.5	Very low	47 Å²	47	100.2 Å²	100.2	29%	0.288	56%	0.56	S	S	.	*			trans	74.8	78.7	167.2	66.7	0	0	0	0	121.5	R1119	T396-R1119 PolarHBondContact O-NH2 3.03Å
397	H	26.8	Very low	29.6	Very low	69 Å²	69	105.5 Å²	105.5	32%	0.319	58%	0.582	S	S	.	*				24.5	168.8	108.5	-54.2	-18.1	0	0	0	122.5	S1127 V1293	H397-S1127 VanDerWaalsContact CE1-CB 3.41Å; H397-S1127 WeakPolarHBondContact CE1-CB 3.45Å; H397-V1293 WeakPolarHBondContact CA-O 3.17Å; H397-V1293 PolarHBondContact N-O 3.47Å; H397-V1293 VanDerWaalsContact N-O 3.14Å
398	P	36.3	Very low	29.2	Very low	74 Å²	74	105.9 Å²	105.9	48%	0.481	59%	0.591	S	S	.	*			cis	-135.5	178.9	-15.2	31.6	-9.5	0	0	0	116.6	V1293	P398-V1293 VanDerWaalsContact CA-CG1 3.49Å
399	L	28.7	Very low	28.9	Very low	84 Å²	84	110.7 Å²	110.7	44%	0.44	62%	0.62	S	S	.	*			trans	72.1	153.6	165.6	-45.1	-173.9	0	0	0	117.2	Y1129	L399-Y1129 HydrophobicContact CD2-CD2 3.47Å; L399-Y1129 VanDerWaalsContact CD2-CD2 3.47Å; L399-Y1129 HydrophobicContact CD2-CE2 4.16Å; L399-Y1129 HydrophobicContact CD2-CG 4.26Å
400	Q	28.1	Very low	28.7	Very low	99 Å²	99	110.4 Å²	110.4	46%	0.463	63%	0.634	S	S	.	*			cis	-169	170.1	-13.2	-111.8	-166.9	93.5	0	0	108.4	Y1129	Q400-Y1129 HydrophobicContact CG-CD1 3.56Å; Q400-Y1129 HydrophobicContact CG-CD2 3.73Å; Q400-Y1129 HydrophobicContact CG-CE1 3.96Å; Q400-Y1129 HydrophobicContact CG-CE2 4.13Å; Q400-Y1129 HydrophobicContact CG-CG 3.45Å; Q400-Y1129 VanDerWaalsContact CG-CG 3.45Å
401	S	27.9	Very low	28.7	Very low	36 Å²	36	109.2 Å²	109.2	25%	0.252	63%	0.628	S	S	.	*			cis	-164	158.1	-13.9	74.4	0	0	0	0	111.5	Y1130 V1131	S401-Y1130 CarbonylContact C-O 3.45Å; S401-Y1130 WeakPolarHBondContact CA-O 3.08Å; S401-V1131 CarbonylContact C-O 3.24Å
402	R	27.1	Very low	29	Very low	185 Å²	185	109 Å²	109	70%	0.698	63%	0.631	S	S	*	*			trans	70.7	144.6	154.9	-65	-178.8	173.9	-116.4	-2.4	118	Y1130	R402-Y1130 PolarHBondContact N-O 2.9Å
403	L	28.1	Very low	28.9	Very low	138 Å²	138	110.3 Å²	110.3	72%	0.723	63%	0.629	S	S	*	*			cis	-159.1	141.5	-6.4	-121	167.3	0	0	0	111.7
404	A	27.6	Very low	29.6	Very low	83 Å²	83	105 Å²	105	69%	0.686	61%	0.614	S	S	*	*			trans	-137.3	139.8	163.1	0	0	0	0	0	106.8
405	V	27.1	Very low	30.3	Very low	132 Å²	132	103.6 Å²	103.6	80%	0.8	62%	0.623	S	S	*	*			cis	83.7	91.2	49	-179.6	0	0	0	0	113.4
406	S	27.8	Very low	31	Very low	110 Å²	110	112.2 Å²	112.2	77%	0.769	65%	0.645	S	S	*	*			trans	59.1	117	143.5	-52.6	0	0	0	0	122
407	I	31.7	Very low	31.4	Very low	177 Å²	177	114.8 Å²	114.8	91%	0.908	66%	0.664	S	S	*	*			trans	-125.2	155	140.4	-61.4	-178.2	0	0	0	107.4
408	A	29.2	Very low	32.1	Very low	81 Å²	81	115.3 Å²	115.3	67%	0.669	68%	0.68	S	S	*	*			trans	-96	168.9	-171.3	0	0	0	0	0	114.3
409	S	28	Very low	33	Very low	128 Å²	128	118.3 Å²	118.3	90%	0.895	70%	0.698	S	S	*	*			trans	34.1	112.4	150.8	-54.3	0	0	0	0	119.6
410	G	28.6	Very low	34.1	Very low	76 Å²	76	118.5 Å²	118.5	78%	0.784	70%	0.699	S	S	*	*			trans	174.5	62.8	170.1	0	0	0	0	0	114.8
411	I	35.6	Very low	35.8	Very low	107 Å²	107	117.9 Å²	117.9	55%	0.549	70%	0.702	S	S	.	*			trans	-91.8	124.9	157.4	-57.8	172.7	0	0	0	103.7	T1266	I411-T1266 VanDerWaalsContact CD1-O 3.31Å; I411-T1266 WeakPolarHBondContact CD1-O 3.19Å
412	T	33.9	Very low	37.6	Very low	114 Å²	114	122 Å²	122	70%	0.699	72%	0.721	S	S	*	*				-125.7	165.5	61.7	73.7	0	0	0	0	113.4
413	D	31.2	Very low	39.8	Very low	149 Å²	149	115.9 Å²	115.9	80%	0.797	71%	0.71	S	S	*	*			cis	-128.8	165.1	11.1	-94.7	-69.7	0	0	0	113.8
414	S	42.1	Very low	42	Very low	68 Å²	68	111 Å²	111	48%	0.476	68%	0.684	S	S	.	*			trans	-125.4	122.7	-176.1	-82.4	0	0	0	0	113.9	T1266	S414-T1266 PolarHBondContact OG-OG1 3.46Å
415	V	39	Very low	44.6	Very low	145 Å²	145	111.9 Å²	111.9	88%	0.879	68%	0.676	S	S	*	*			trans	-144.7	122.2	140.4	-173.1	0	0	0	0	108.9
416	R	37.5	Very low	47.2	Very low	255 Å²	255	111 Å²	111	96%	0.962	66%	0.664	S	S	*	*			trans	-161.5	167.1	155.9	-115.6	166	-172.7	-166.2	-0.2	113
417	S	36.6	Very low	49.8	Very low	100 Å²	100	110.5 Å²	110.5	70%	0.699	65%	0.649	S	S	*	*			trans	-93	170.9	-147.6	-162.4	0	0	0	0	116.3	T419	S417-T419 VanDerWaalsContact C-N 3.34Å; S417-T419 PolarHBondContact O-N 3.43Å
418	A	43.2	Very low	52.2	Low	80 Å²	80	103 Å²	103	66%	0.661	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-75.5	0.6	-161	0	0	0	0	0	117.2	D420	A418-D420 VanDerWaalsContact C-N 3.26Å; A418-D420 PolarHBondContact O-N 2.99Å
419	T	53.2	Low	54.9	Low	137 Å²	137	104.2 Å²	104.2	84%	0.84	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-75.3	-7.4	-176	42.9	0	0	0	0	114.9	S417	S417-T419 VanDerWaalsContact C-N 3.34Å; S417-T419 PolarHBondContact O-N 3.43Å
420	D	52.2	Low	57.4	Low	88 Å²	88	105.7 Å²	105.7	47%	0.471	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-91.1	6.7	-172.9	-161.5	28.6	0	0	0	114.1	A418 K1268	A418-D420 VanDerWaalsContact C-N 3.26Å; A418-D420 PolarHBondContact O-N 2.99Å; D420-K1268 VanDerWaalsContact O-CE 3.3Å; D420-K1268 WeakPolarHBondContact O-CE 3.28Å; D420-K1268 PolarHBondContact O-NZ 3.29Å; D420-K1268 WeakPolarHBondContact OD2-CD 2.98Å; D420-K1268 WeakPolarHBondContact OD2-CE 3.39Å
421	V	64	Low	60.1	Low	87 Å²	87	104.5 Å²	104.5	53%	0.527	57%	0.565	S	S	.	*	H	α-helix	trans	-80.7	-47.3	-172.9	-176.6	0	0	0	0	113	A423 E424 L425	V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.95Å; V421-E424 WeakPolarHBondContact O-CB 3.44Å; V421-E424 PolarHBondContact O-N 3.13Å; V421-L425 PolarHBondContact O-N 2.89Å
422	D	67	Low	62.4	Low	122 Å²	122	101.8 Å²	101.8	65%	0.652	56%	0.559	S	S	*	*	H	α-helix	trans	-70.5	-28.1	-177.4	-73.6	-47.3	0	0	0	113.5	L425 Q426	D422-L425 PolarHBondContact O-N 2.6Å; D422-Q426 PolarHBondContact O-N 3.08Å
423	A	72.8	Confident	64.7	Low	56 Å²	56	104.2 Å²	104.2	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-61.2	-44.2	171.3	0	0	0	0	0	111.3	V421 L425 Q426 Q427	V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.95Å; A423-L425 VanDerWaalsContact C-N 3.33Å; A423-L425 PolarHBondContact O-N 2.99Å; A423-Q426 PolarHBondContact O-N 3.1Å; A423-Q427 WeakPolarHBondContact O-CB 3.22Å; A423-Q427 PolarHBondContact O-N 2.81Å
424	E	75	Confident	67.3	Low	37 Å²	37	100.8 Å²	100.8	17%	0.173	54%	0.539	C	S	.	.	H	α-helix	trans	-61.1	-41.7	175.4	-174.4	168.1	-152.7	0	0	111.5	V421 Q427 A428 K1268 V1269	V421-E424 WeakPolarHBondContact O-CB 3.44Å; V421-E424 PolarHBondContact O-N 3.13Å; E424-Q427 PolarHBondContact O-N 2.71Å; E424-A428 WeakPolarHBondContact O-CB 3.39Å; E424-A428 PolarHBondContact O-N 2.96Å; E424-K1268 HydrophobicContact CB-CD 4.22Å; E424-K1268 HydrophobicContact CG-CB 4.49Å; E424-K1268 HydrophobicContact CG-CD 4.46Å; E424-K1268 WeakPolarHBondContact OE1-CA 3.35Å; E424-K1268 VanDerWaalsContact OE1-CB 3.26Å; E424-K1268 WeakPolarHBondContact OE1-CB 3.38Å; E424-K1268 WeakPolarHBondContact OE2-CG 3.41Å; E424-K1268 IonicContact OE2-NZ 2.73Å; E424-K1268 PolarHBondContact OE2-NZ 2.83Å; E424-V1269 HydrophobicContact CB-CG2 4.48Å; E424-V1269 HydrophobicContact CG-CG2 3.85Å; E424-V1269 PolarHBondContact OE1-N 3.1Å
425	L	81.6	Confident	69.4	Low	100 Å²	100	99 Å²	99	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-67.2	-42.6	-178.9	-173.5	60.3	0	0	0	112.8	V421 D422 A423 A428 Q429	V421-L425 PolarHBondContact O-N 2.89Å; D422-L425 PolarHBondContact O-N 2.6Å; A423-L425 VanDerWaalsContact C-N 3.33Å; A423-L425 PolarHBondContact O-N 2.99Å; L425-A428 PolarHBondContact O-N 3.47Å; L425-Q429 PolarHBondContact O-N 2.54Å; L425-Q429 VanDerWaalsContact O-N 3.16Å
426	Q	80.7	Confident	71.5	Confident	115 Å²	115	98.5 Å²	98.5	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-38	173.1	-77.4	-154.3	27.3	0	0	112.4	D422 A423 Q429 R430	D422-Q426 PolarHBondContact O-N 3.08Å; A423-Q426 PolarHBondContact O-N 3.1Å; Q426-Q429 PolarHBondContact O-N 3.01Å; Q426-R430 WeakPolarHBondContact O-CG 3.31Å; Q426-R430 PolarHBondContact O-N 2.96Å; Q426-R430 VanDerWaalsContact O-N 3.12Å
427	Q	82	Confident	73.8	Confident	99 Å²	99	93.3 Å²	93.3	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-65.2	-41.7	178.1	-170.7	161.4	-11.8	0	0	111.1	A423 E424 Q429 R430 Q431 V1269	A423-Q427 WeakPolarHBondContact O-CB 3.22Å; A423-Q427 PolarHBondContact O-N 2.81Å; E424-Q427 PolarHBondContact O-N 2.71Å; Q427-Q429 PolarHBondContact O-N 2.73Å; Q427-R430 PolarHBondContact O-N 3.19Å; Q427-Q431 WeakPolarHBondContact O-CG 3.31Å; Q427-Q431 PolarHBondContact O-N 3.31Å; Q427-V1269 HydrophobicContact CG-CG1 4Å; Q427-V1269 HydrophobicContact CG-CG2 4.36Å
428	A	83.1	Confident	76.1	Confident	18 Å²	18	94.7 Å²	94.7	15%	0.149	49%	0.49	C	S	.	.	H	α-helix	trans	-56.9	-47.2	173.2	0	0	0	0	0	112.6	E424 L425 R430 Q431 A432 L1270	E424-A428 WeakPolarHBondContact O-CB 3.39Å; E424-A428 PolarHBondContact O-N 2.96Å; L425-A428 PolarHBondContact O-N 3.47Å; A428-R430 VanDerWaalsContact C-N 3.34Å; A428-R430 PolarHBondContact O-N 2.98Å; A428-Q431 PolarHBondContact O-N 3.32Å; A428-A432 WeakPolarHBondContact O-CB 3.16Å; A428-A432 PolarHBondContact O-N 2.97Å; A428-L1270 HydrophobicContact CB-CD1 3.7Å; A428-L1270 HydrophobicContact CB-CD2 3.67Å; A428-L1270 HydrophobicContact CB-CG 4.32Å
429	Q	86.6	Confident	78.3	Confident	108 Å²	108	92.5 Å²	92.5	51%	0.505	47%	0.467	S	S	.	.	H	α-helix	trans	-66.8	-30.8	179.1	-71.2	-173.5	4.8	0	0	113.8	L425 Q426 Q427 R433	L425-Q429 PolarHBondContact O-N 2.54Å; L425-Q429 VanDerWaalsContact O-N 3.16Å; Q426-Q429 PolarHBondContact O-N 3.01Å; Q427-Q429 PolarHBondContact O-N 2.73Å; Q429-R433 PolarHBondContact O-N 3.45Å
430	R	80.5	Confident	79.7	Confident	158 Å²	158	88.2 Å²	88.2	60%	0.596	45%	0.446	S	S	*	.	H	α-helix	trans	-72.8	-40.4	173.9	-67.6	176.8	-159.9	-136.9	6.6	111.1	Q426 Q427 A428 T434	Q426-R430 WeakPolarHBondContact O-CG 3.31Å; Q426-R430 PolarHBondContact O-N 2.96Å; Q426-R430 VanDerWaalsContact O-N 3.12Å; Q427-R430 PolarHBondContact O-N 3.19Å; A428-R430 VanDerWaalsContact C-N 3.34Å; A428-R430 PolarHBondContact O-N 2.98Å; R430-T434 WeakPolarHBondContact O-CB 3.17Å; R430-T434 PolarHBondContact O-N 3.14Å; R430-T434 PolarHBondContact O-OG1 3.3Å
431	Q	85.3	Confident	81.4	Confident	52 Å²	52	86.8 Å²	86.8	24%	0.243	44%	0.44	C	S	.	.	H	α-helix	trans	-63.3	-45.1	174.1	-72.8	173.3	-46.9	0	0	111.8	Q427 A428 R433 T434 Q435 L1270	Q427-Q431 WeakPolarHBondContact O-CG 3.31Å; Q427-Q431 PolarHBondContact O-N 3.31Å; A428-Q431 PolarHBondContact O-N 3.32Å; Q431-R433 PolarHBondContact O-N 2.7Å; Q431-T434 WeakPolarHBondContact O-CB 3.3Å; Q431-T434 PolarHBondContact O-N 3.45Å; Q431-T434 VanDerWaalsContact O-N 3.12Å; Q431-Q435 WeakPolarHBondContact O-CG 3.21Å; Q431-Q435 PolarHBondContact O-N 3.16Å; Q431-L1270 PolarHBondContact NE2-O 3.19Å
432	A	82.9	Confident	82.5	Confident	50 Å²	50	84.9 Å²	84.9	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-54.6	-55	178.7	0	0	0	0	0	112.6	A428 T434 Q435 E436	A428-A432 WeakPolarHBondContact O-CB 3.16Å; A428-A432 PolarHBondContact O-N 2.97Å; A432-T434 PolarHBondContact O-N 3.23Å; A432-Q435 PolarHBondContact O-N 3.34Å; A432-E436 PolarHBondContact O-N 2.65Å; A432-E436 VanDerWaalsContact O-N 3.07Å
433	R	81.3	Confident	83	Confident	164 Å²	164	87 Å²	87	62%	0.619	42%	0.424	S	S	*	.	H	α-helix	trans	-59.5	-34.1	176.8	-76.7	-174.1	-82.3	-178.7	-9.5	113	Q429 Q431 E436 F437	Q429-R433 PolarHBondContact O-N 3.45Å; Q431-R433 PolarHBondContact O-N 2.7Å; R433-E436 PolarHBondContact O-N 3.13Å; R433-F437 PolarHBondContact O-N 2.62Å; R433-F437 VanDerWaalsContact O-N 3.13Å
434	T	86.5	Confident	83.2	Confident	77 Å²	77	86.7 Å²	86.7	47%	0.472	42%	0.421	S	S	.	.	H	α-helix	trans	-68.2	-34.6	176.6	-55.5	0	0	0	0	112.2	R430 Q431 A432 K438	R430-T434 WeakPolarHBondContact O-CB 3.17Å; R430-T434 PolarHBondContact O-N 3.14Å; R430-T434 PolarHBondContact O-OG1 3.3Å; Q431-T434 WeakPolarHBondContact O-CB 3.3Å; Q431-T434 PolarHBondContact O-N 3.45Å; Q431-T434 VanDerWaalsContact O-N 3.12Å; A432-T434 PolarHBondContact O-N 3.23Å; T434-K438 WeakPolarHBondContact O-CG 2.82Å; T434-K438 PolarHBondContact O-N 3.39Å
435	Q	86	Confident	83.5	Confident	32 Å²	32	91 Å²	91	15%	0.15	44%	0.441	C	S	.	.	H	α-helix	trans	-72.1	-41	175	-64.1	-179.2	26.5	0	0	111.8	Q431 A432 F437 K438 N439 T1272 S1273	Q431-Q435 WeakPolarHBondContact O-CG 3.21Å; Q431-Q435 PolarHBondContact O-N 3.16Å; A432-Q435 PolarHBondContact O-N 3.34Å; Q435-F437 VanDerWaalsContact C-N 3.32Å; Q435-F437 PolarHBondContact O-N 2.92Å; Q435-K438 PolarHBondContact O-N 3.28Å; Q435-N439 WeakPolarHBondContact O-CB 3.04Å; Q435-N439 PolarHBondContact O-N 3.41Å; Q435-N439 PolarHBondContact O-ND2 3.35Å; Q435-N439 PolarHBondContact O-OD1 2.91Å; Q435-T1272 VanDerWaalsContact CD-C 3.44Å; Q435-T1272 PolarHBondContact NE2-O 3.41Å; Q435-T1272 PolarHBondContact NE2-OG1 2.96Å; Q435-T1272 VanDerWaalsContact OE1-CB 3.23Å; Q435-T1272 PolarHBondContact OE1-OG1 3.26Å; Q435-S1273 WeakPolarHBondContact CG-O 3.47Å; Q435-S1273 PolarHBondContact OE1-O 2.63Å
436	E	84.1	Confident	83.4	Confident	134 Å²	134	91.9 Å²	91.9	63%	0.626	44%	0.443	S	S	*	.	H	α-helix	trans	-59.8	-42	175.7	-68.3	-171.4	136.3	0	0	112.1	A432 R433 N439 A440	A432-E436 PolarHBondContact O-N 2.65Å; A432-E436 VanDerWaalsContact O-N 3.07Å; R433-E436 PolarHBondContact O-N 3.13Å; E436-N439 CarbonylContact O-C 2.95Å; E436-N439 WeakPolarHBondContact O-CB 3.42Å; E436-N439 PolarHBondContact O-N 3.34Å; E436-A440 PolarHBondContact O-N 3.17Å
437	F	85	Confident	82.9	Confident	145 Å²	145	89 Å²	89	64%	0.636	44%	0.439	S	S	*	.	H	α-helix	trans	-60.5	-48.4	173.3	-177.3	-103.8	0	0	0	112.2	R433 Q435 N439 A440 V441	R433-F437 PolarHBondContact O-N 2.62Å; R433-F437 VanDerWaalsContact O-N 3.13Å; Q435-F437 VanDerWaalsContact C-N 3.32Å; Q435-F437 PolarHBondContact O-N 2.92Å; F437-N439 VanDerWaalsContact C-N 3.26Å; F437-N439 PolarHBondContact O-N 2.73Å; F437-A440 WeakPolarHBondContact O-CB 3.13Å; F437-A440 PolarHBondContact O-N 2.77Å; F437-A440 VanDerWaalsContact O-N 3.08Å; F437-V441 HydrophobicContact CD1-CG2 4.34Å; F437-V441 HydrophobicContact CE1-CG2 3.92Å; F437-V441 HydrophobicContact CE2-CG2 4.35Å; F437-V441 HydrophobicContact CZ-CG2 3.93Å; F437-V441 WeakPolarHBondContact O-CG2 3.02Å; F437-V441 PolarHBondContact O-N 2.81Å
438	K	86.1	Confident	82.5	Confident	129 Å²	129	92.5 Å²	92.5	56%	0.561	45%	0.448	S	S	*	.	H	α-helix	trans	-58.4	-37.8	173.7	-73.1	180	177.2	-175.6	0	112.2	T434 Q435 A440 V441 E442	T434-K438 WeakPolarHBondContact O-CG 2.82Å; T434-K438 PolarHBondContact O-N 3.39Å; Q435-K438 PolarHBondContact O-N 3.28Å; K438-A440 VanDerWaalsContact C-N 3.28Å; K438-A440 PolarHBondContact O-N 3.44Å; K438-V441 PolarHBondContact O-N 2.79Å; K438-E442 PolarHBondContact O-N 3.3Å
439	N	88.2	Confident	82	Confident	34 Å²	34	94 Å²	94	18%	0.182	46%	0.46	C	S	.	.	H	α-helix	trans	-71.3	-18.9	177.9	-65.4	-18.2	0	0	0	113.9	Q435 E436 F437 R443 K1274	Q435-N439 WeakPolarHBondContact O-CB 3.04Å; Q435-N439 PolarHBondContact O-N 3.41Å; Q435-N439 PolarHBondContact O-ND2 3.35Å; Q435-N439 PolarHBondContact O-OD1 2.91Å; E436-N439 CarbonylContact O-C 2.95Å; E436-N439 WeakPolarHBondContact O-CB 3.42Å; E436-N439 PolarHBondContact O-N 3.34Å; F437-N439 VanDerWaalsContact C-N 3.26Å; F437-N439 PolarHBondContact O-N 2.73Å; N439-R443 PolarHBondContact O-NE 2.7Å; N439-R443 VanDerWaalsContact O-NE 3.07Å; N439-R443 PolarHBondContact O-NH2 3.03Å; N439-K1274 WeakPolarHBondContact OD1-CD 3.38Å; N439-K1274 WeakPolarHBondContact OD1-CE 3.17Å; N439-K1274 VanDerWaalsContact OD1-CG 3.25Å; N439-K1274 WeakPolarHBondContact OD1-CG 3.15Å; N439-K1274 PolarHBondContact OD1-NZ 3.38Å
440	A	83.7	Confident	80.9	Confident	48 Å²	48	97.4 Å²	97.4	40%	0.397	47%	0.468	S	S	.	.	H	α-helix	trans	-84.2	-44.6	170	0	0	0	0	0	111.1	E436 F437 K438 R443 A444	E436-A440 PolarHBondContact O-N 3.17Å; F437-A440 WeakPolarHBondContact O-CB 3.13Å; F437-A440 PolarHBondContact O-N 2.77Å; F437-A440 VanDerWaalsContact O-N 3.08Å; K438-A440 VanDerWaalsContact C-N 3.28Å; K438-A440 PolarHBondContact O-N 3.44Å; A440-R443 WeakPolarHBondContact O-CB 3.16Å; A440-R443 PolarHBondContact O-N 3.12Å; A440-A444 PolarHBondContact O-N 3.3Å
441	V	86.7	Confident	80.1	Confident	58 Å²	58	95.7 Å²	95.7	35%	0.352	47%	0.467	S	S	.	.	H	α-helix	trans	-62.6	-44.6	179	175.5	0	0	0	0	112.1	F437 K438 R443 A444 Q445	F437-V441 HydrophobicContact CD1-CG2 4.34Å; F437-V441 HydrophobicContact CE1-CG2 3.92Å; F437-V441 HydrophobicContact CE2-CG2 4.35Å; F437-V441 HydrophobicContact CZ-CG2 3.93Å; F437-V441 WeakPolarHBondContact O-CG2 3.02Å; F437-V441 PolarHBondContact O-N 2.81Å; K438-V441 PolarHBondContact O-N 2.79Å; V441-R443 VanDerWaalsContact C-N 3.28Å; V441-R443 PolarHBondContact O-N 3.44Å; V441-A444 PolarHBondContact O-N 2.72Å; V441-Q445 WeakPolarHBondContact O-CG 3.41Å; V441-Q445 PolarHBondContact O-N 2.85Å
442	E	86.8	Confident	78.7	Confident	47 Å²	47	96.3 Å²	96.3	22%	0.22	47%	0.469	C	S	.	.	H	α-helix	trans	-59.8	-38.5	175.8	-170.8	-162.3	-133.2	0	0	111.4	K438 Q445 Q446 K1274 R1275	K438-E442 PolarHBondContact O-N 3.3Å; E442-Q445 PolarHBondContact O-N 3.05Å; E442-Q446 PolarHBondContact O-N 3.27Å; E442-K1274 WeakPolarHBondContact OE2-CD 2.9Å; E442-K1274 WeakPolarHBondContact OE2-CE 3.2Å; E442-K1274 IonicContact OE2-NZ 3.22Å; E442-K1274 PolarHBondContact OE2-NZ 2.98Å; E442-R1275 WeakPolarHBondContact OE1-CD 3.37Å
443	R	78.2	Confident	76.9	Confident	166 Å²	166	98 Å²	98	63%	0.626	47%	0.47	S	S	*	.	H	α-helix	trans	-66	-44.1	175	-101.6	-177.5	-66.7	176.5	0.1	112.3	N439 A440 V441 Q445 Q446 A447	N439-R443 PolarHBondContact O-NE 2.7Å; N439-R443 VanDerWaalsContact O-NE 3.07Å; N439-R443 PolarHBondContact O-NH2 3.03Å; A440-R443 WeakPolarHBondContact O-CB 3.16Å; A440-R443 PolarHBondContact O-N 3.12Å; V441-R443 VanDerWaalsContact C-N 3.28Å; V441-R443 PolarHBondContact O-N 3.44Å; R443-Q445 VanDerWaalsContact C-N 3.26Å; R443-Q445 PolarHBondContact O-N 2.98Å; R443-Q446 PolarHBondContact O-N 2.72Å; R443-A447 WeakPolarHBondContact O-CB 3.06Å; R443-A447 PolarHBondContact O-N 2.79Å
444	A	77.5	Confident	75.2	Confident	49 Å²	49	94.3 Å²	94.3	41%	0.405	47%	0.47	S	S	.	.	H	α-helix	trans	-63	-34.8	175.8	0	0	0	0	0	111.9	A440 V441 R448	A440-A444 PolarHBondContact O-N 3.3Å; V441-A444 PolarHBondContact O-N 2.72Å; A444-R448 WeakPolarHBondContact O-CG 3.36Å; A444-R448 PolarHBondContact O-N 2.84Å; A444-R448 VanDerWaalsContact O-N 3.14Å
445	Q	80.3	Confident	72.9	Confident	127 Å²	127	96.6 Å²	96.6	59%	0.593	48%	0.475	S	S	*	.	H	α-helix	trans	-71.8	-41.4	174.3	-73.6	179.5	-21.7	0	0	112.5	V441 E442 R443 R448 A449	V441-Q445 WeakPolarHBondContact O-CG 3.41Å; V441-Q445 PolarHBondContact O-N 2.85Å; E442-Q445 PolarHBondContact O-N 3.05Å; R443-Q445 VanDerWaalsContact C-N 3.26Å; R443-Q445 PolarHBondContact O-N 2.98Å; Q445-R448 PolarHBondContact O-N 3.22Å; Q445-A449 WeakPolarHBondContact O-CB 3.17Å; Q445-A449 PolarHBondContact O-N 3.3Å
446	Q	79.9	Confident	70.3	Confident	119 Å²	119	98.4 Å²	98.4	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-67.4	-33.3	173.9	-79.9	-166.1	-47.9	0	0	113.3	E442 R443 A449 R450	E442-Q446 PolarHBondContact O-N 3.27Å; R443-Q446 PolarHBondContact O-N 2.72Å; Q446-A449 WeakPolarHBondContact O-CB 3.36Å; Q446-A449 PolarHBondContact O-N 2.7Å; Q446-R450 PolarHBondContact O-N 2.72Å
447	A	70.5	Confident	67.9	Low	54 Å²	54	96.3 Å²	96.3	45%	0.446	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-51.9	171.6	0	0	0	0	0	110.7	R443 A449 R450 Q451	R443-A447 WeakPolarHBondContact O-CB 3.06Å; R443-A447 PolarHBondContact O-N 2.79Å; A447-A449 VanDerWaalsContact C-N 3.26Å; A447-A449 PolarHBondContact O-N 3.08Å; A447-R450 PolarHBondContact O-N 2.67Å; A447-R450 VanDerWaalsContact O-N 3.13Å; A447-Q451 PolarHBondContact O-N 3.33Å
448	R	72.9	Confident	65.3	Low	173 Å²	173	94.9 Å²	94.9	65%	0.653	50%	0.499	S	S	*	.	H	α-helix	trans	-61.9	-31.6	174.5	-69	179.9	-167.4	-156.3	2.5	112.8	A444 Q445 R450 K452	A444-R448 WeakPolarHBondContact O-CG 3.36Å; A444-R448 PolarHBondContact O-N 2.84Å; A444-R448 VanDerWaalsContact O-N 3.14Å; Q445-R448 PolarHBondContact O-N 3.22Å; R448-R450 PolarHBondContact O-N 2.89Å; R448-K452 WeakPolarHBondContact O-CD 3.22Å; R448-K452 WeakPolarHBondContact O-CE 3.01Å; R448-K452 VanDerWaalsContact O-CG 3.28Å; R448-K452 WeakPolarHBondContact O-CG 3.5Å
449	A	73.1	Confident	62.6	Low	49 Å²	49	94.3 Å²	94.3	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-25.9	177.4	0	0	0	0	0	113	Q445 Q446 A447	Q445-A449 WeakPolarHBondContact O-CB 3.17Å; Q445-A449 PolarHBondContact O-N 3.3Å; Q446-A449 WeakPolarHBondContact O-CB 3.36Å; Q446-A449 PolarHBondContact O-N 2.7Å; A447-A449 VanDerWaalsContact C-N 3.26Å; A447-A449 PolarHBondContact O-N 3.08Å
450	R	62.8	Low	59.8	Low	180 Å²	180	101.1 Å²	101.1	68%	0.679	54%	0.536	S	S	*	.	H	α-helix	trans	-91.8	-29.2	-177.9	-77.8	-176.3	156.8	-169.9	-10.1	114.6	Q446 A447 R448 K452 L453	Q446-R450 PolarHBondContact O-N 2.72Å; A447-R450 PolarHBondContact O-N 2.67Å; A447-R450 VanDerWaalsContact O-N 3.13Å; R448-R450 PolarHBondContact O-N 2.89Å; R450-K452 PolarHBondContact O-N 3.45Å; R450-L453 PolarHBondContact O-N 3.13Å
451	Q	64.1	Low	57.4	Low	123 Å²	123	106 Å²	106	58%	0.575	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-7.1	178.8	-64.8	179.9	-82.6	0	0	114.1	A447	A447-Q451 PolarHBondContact O-N 3.33Å
452	K	55.5	Low	54.6	Low	64 Å²	64	109.8 Å²	109.8	28%	0.278	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.1	-2.5	-174.5	-55	153.4	167.6	-76.4	0	113.9	R448 R450 P2166 T2167 T2168	R448-K452 WeakPolarHBondContact O-CD 3.22Å; R448-K452 WeakPolarHBondContact O-CE 3.01Å; R448-K452 VanDerWaalsContact O-CG 3.28Å; R448-K452 WeakPolarHBondContact O-CG 3.5Å; R450-K452 PolarHBondContact O-N 3.45Å; K452-P2166 WeakPolarHBondContact CD-O 2.98Å; K452-P2166 PolarHBondContact NZ-O 3.14Å; K452-T2167 VanDerWaalsContact CG-O 3.31Å; K452-T2167 WeakPolarHBondContact CG-O 3.13Å; K452-T2167 PolarHBondContact NZ-O 3.25Å; K452-T2168 WeakPolarHBondContact CE-O 3.43Å; K452-T2168 PolarHBondContact NZ-O 2.7Å
453	L	46.7	Very low	52	Low	85 Å²	85	114.6 Å²	114.6	45%	0.445	60%	0.602	S	S	.	*	S	Bend	trans	-109.4	9.6	-175.7	-89.6	162.7	0	0	0	112.2	R450 F2165	R450-L453 PolarHBondContact O-N 3.13Å; L453-F2165 HydrophobicContact CD2-CD1 3.79Å; L453-F2165 HydrophobicContact CD2-CE1 3.33Å; L453-F2165 HydrophobicContact CD2-CE2 4.22Å; L453-F2165 HydrophobicContact CD2-CG 4.45Å; L453-F2165 HydrophobicContact CD2-CZ 3.58Å; L453-F2165 HydrophobicContact CG-CD1 4.08Å; L453-F2165 HydrophobicContact CG-CE1 4.13Å
454	S	43.8	Very low	49.9	Very low	88 Å²	88	112.4 Å²	112.4	62%	0.615	60%	0.6	S	S	*	*	S	Bend	trans	-141.1	13.3	-175.3	62.5	0	0	0	0	113.8
455	E	39.1	Very low	47.7	Very low	125 Å²	125	114.6 Å²	114.6	58%	0.584	60%	0.604	S	S	*	*	S	Bend	trans	-107	56.1	166.7	-74.9	-170.5	-159	0	0	109.4	V2169 N2170	E455-V2169 WeakPolarHBondContact OE2-CG1 3.33Å; E455-N2170 PolarHBondContact OE1-ND2 2.68Å; E455-N2170 PolarHBondContact OE2-ND2 2.8Å
456	S	32.1	Very low	45.4	Very low	70 Å²	70	110.8 Å²	110.8	49%	0.49	59%	0.59	S	S	.	*	S	Bend	trans	-157.3	115.7	170	58.8	0	0	0	0	109.4
457	C	32.6	Very low	43.1	Very low	89 Å²	89	112.2 Å²	112.2	60%	0.601	60%	0.595	S	S	*	*	S	Bend	trans	66.6	128.1	-170.8	-55.6	0	0	0	0	114.4
458	S	31	Very low	41.1	Very low	116 Å²	116	111.5 Å²	111.5	81%	0.811	59%	0.586	S	S	*	*			cis	-154.9	179.8	-10.5	-151.9	0	0	0	0	113.2
459	V	29.3	Very low	39.2	Very low	117 Å²	117	106.5 Å²	106.5	71%	0.709	58%	0.582	S	S	*	*			trans	-69.9	171.5	178.1	176.5	0	0	0	0	112.7
460	E	29.6	Very low	37.2	Very low	176 Å²	176	106.7 Å²	106.7	82%	0.822	58%	0.576	S	S	*	*			trans	87.4	151.6	167.6	-88.4	136	-128.6	0	0	119
461	N	32.9	Very low	35.6	Very low	151 Å²	151	100 Å²	100	81%	0.807	56%	0.564	S	S	*	*			trans	-123.2	154.3	-142.3	-64.3	-34.2	0	0	0	115.4
462	D	28.1	Very low	34.1	Very low	137 Å²	137	100.4 Å²	100.4	73%	0.733	57%	0.569	S	S	*	*			trans	6.6	132.2	150.7	-64.9	-55.2	0	0	0	120.8
463	N	32.3	Very low	33	Very low	149 Å²	149	104 Å²	104	80%	0.797	59%	0.59	S	S	*	*				-176.4	151.7	118.4	-84.4	-32.7	0	0	0	110.2
464	M	33.4	Very low	32.7	Very low	119 Å²	119	105.4 Å²	105.4	59%	0.586	61%	0.605	S	S	*	*			cis	-157.3	114.2	-14.8	-96.2	-99.1	-79.6	0	0	111.9
465	L	31.8	Very low	31.9	Very low	96 Å²	96	105.5 Å²	105.5	50%	0.503	61%	0.605	S	S	.	*			trans	84	157.2	132.2	-51.8	-167.1	0	0	0	125.6	K1828	L465-K1828 HydrophobicContact CD2-CD 3.4Å
466	P	32.2	Very low	31.4	Very low	46 Å²	46	108.5 Å²	108.5	30%	0.299	62%	0.622	S	S	.	*			trans	-139.7	167.3	-158.9	20.4	9.2	0	0	0	118.7	V317 S318 Q319	V317-P466 HydrophobicContact CG1-CG 4.41Å; S318-P466 WeakPolarHBondContact CB-O 3.28Å; S318-P466 WeakPolarHBondContact O-CG 3.33Å; Q319-P466 WeakPolarHBondContact O-CB 3.15Å
467	K	30.5	Very low	31.3	Very low	149 Å²	149	109.2 Å²	109.2	65%	0.648	63%	0.627	S	S	*	*			trans	-71.2	164.8	-171.5	-62.7	178.7	176	-176.6	0	116.7	S318 Q319	S318-K467 WeakPolarHBondContact CB-O 3.26Å; S318-K467 PolarHBondContact OG-O 3.27Å; Q319-K467 HydrophobicContact CB-CB 4.13Å; Q319-K467 WeakPolarHBondContact CB-O 3.43Å; Q319-K467 WeakPolarHBondContact CG-O 3.4Å; Q319-K467 PolarHBondContact OE1-O 3.32Å
468	S	28.6	Very low	31.1	Very low	39 Å²	39	112.8 Å²	112.8	27%	0.273	63%	0.634	S	S	.	*			trans	-164.3	123	156.3	-80.4	0	0	0	0	114.7	S318 K1830 Q1832 Q1833	S318-S468 PolarHBondContact OG-OG 2.8Å; S468-K1830 PolarHBondContact OG-NZ 3.44Å; S468-Q1832 PolarHBondContact OG-O 2.99Å; S468-Q1833 WeakPolarHBondContact CB-O 3.26Å; S468-Q1833 PolarHBondContact OG-O 2.86Å
469	A	34.2	Very low	31.1	Very low	68 Å²	68	114.3 Å²	114.3	56%	0.562	63%	0.634	S	S	*	*			trans	-108.8	168.1	177.6	0	0	0	0	0	113.4
470	L	30.6	Very low	31.2	Very low	53 Å²	53	119.7 Å²	119.7	28%	0.277	64%	0.641	S	S	.	*			trans	155.3	128.6	164.1	-96.7	176.2	0	0	0	107.4	Q1832 Q1834 Q1835	L470-Q1832 HydrophobicContact CD1-CG 3.83Å; L470-Q1832 HydrophobicContact CG-CG 4.43Å; L470-Q1834 HydrophobicContact CB-CG 3.82Å; L470-Q1834 HydrophobicContact CD1-CG 4.11Å; L470-Q1835 WeakPolarHBondContact O-CB 3.28Å; L470-Q1835 WeakPolarHBondContact O-CG 2.95Å; L470-Q1835 PolarHBondContact O-N 2.99Å; L470-Q1835 PolarHBondContact O-OE1 3.4Å
471	G	29.9	Very low	31.3	Very low	41 Å²	41	116.3 Å²	116.3	42%	0.423	64%	0.635	S	S	.	*			cis	156.2	-166.7	-4.2	0	0	0	0	0	112.9	Q1835	G471-Q1835 PolarHBondContact O-OE1 2.87Å
472	L	32.6	Very low	31.1	Very low	130 Å²	130	119.1 Å²	119.1	68%	0.681	64%	0.64	S	S	*	*			trans	96	106.2	154.4	-54	-179.7	0	0	0	123.2
473	L	32.5	Very low	31.3	Very low	140 Å²	140	117.5 Å²	117.5	73%	0.733	64%	0.637	S	S	*	*				95.6	146.4	122.5	-65.8	171.2	0	0	0	123.4
474	P	38.8	Very low	31.1	Very low	115 Å²	115	117.7 Å²	117.7	75%	0.747	64%	0.637	S	S	*	*			trans	-129.4	178.9	-168.4	45.7	-30.3	0	0	0	116.5
475	S	28	Very low	30.9	Very low	90 Å²	90	118.1 Å²	118.1	63%	0.629	65%	0.646	S	S	*	*			trans	-169.5	122.4	152	57.1	0	0	0	0	115.8
476	M	28.3	Very low	30.8	Very low	187 Å²	187	118.6 Å²	118.6	92%	0.921	66%	0.657	S	S	*	*			trans	57.8	160.4	140.3	-51.1	-176.6	77.3	0	0	119.8
477	S	30.4	Very low	30.7	Very low	86 Å²	86	121 Å²	121	60%	0.601	68%	0.682	S	S	*	*			cis	-141.9	168.3	8.5	70.8	0	0	0	0	115.1
478	E	27.7	Very low	30.9	Very low	163 Å²	163	119.7 Å²	119.7	76%	0.762	69%	0.688	S	S	*	*			trans	51	101.2	145.5	-68.7	156.2	149.1	0	0	122.9
479	N	32.2	Very low	31	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	72%	0.719	S	S	*	*				-169.8	107.2	109.2	-98.7	-55.4	0	0	0	109.2
480	R	30.4	Very low	30.9	Very low	231 Å²	231	130.4 Å²	130.4	87%	0.872	73%	0.728	S	S	*	*				75.2	151.9	103.5	-85.1	-159.3	175	-136.2	0.7	115.2
481	P	32.2	Very low	31	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	75%	0.749	S	S	*	*			trans	-106.3	160.6	-141.9	39.2	-35.9	0	0	0	115.6
482	F	28.8	Very low	31	Very low	209 Å²	209	137.9 Å²	137.9	92%	0.917	77%	0.768	S	S	*	*			trans	-115.6	115.4	166	-71.9	-77.1	0	0	0	111.6
483	P	31.7	Very low	30.9	Very low	103 Å²	103	136 Å²	136	67%	0.669	77%	0.771	S	S	*	*			trans	-129.1	173.6	135.5	39	-30.4	0	0	0	111.8
484	L	28.8	Very low	30.8	Very low	154 Å²	154	135.6 Å²	135.6	81%	0.806	78%	0.778	S	S	*	*			trans	78.2	107.2	176.4	-83	79.7	0	0	0	119
485	V	28.8	Very low	30.4	Very low	128 Å²	128	139 Å²	139	78%	0.776	79%	0.785	S	S	*	*				69.3	146.6	110	169.9	0	0	0	0	121
486	S	30.4	Very low	30.5	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	79%	0.785	S	S	*	*			trans	88.2	93.9	164.1	-73.5	0	0	0	0	120.8
487	A	28.5	Very low	30.3	Very low	98 Å²	98	137 Å²	137	81%	0.81	78%	0.776	S	S	*	*				72.6	155.4	117	0	0	0	0	0	120.3
488	P	35.6	Very low	30.6	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	78%	0.778	S	S	*	*			trans	-119.9	164.5	-145.6	41.5	-30.7	0	0	0	116.1
489	F	31.7	Very low	30.6	Very low	211 Å²	211	136.9 Å²	136.9	93%	0.925	78%	0.779	S	S	*	*			trans	-93.3	138.2	155.8	-84.2	-87.4	0	0	0	111
490	T	31.1	Very low	30.4	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	79%	0.786	S	S	*	*			trans	-69.4	158.6	159.8	49.7	0	0	0	0	109.4
491	T	31.8	Very low	30.4	Very low	119 Å²	119	132.6 Å²	132.6	73%	0.73	78%	0.782	S	S	*	*			cis	-157.9	162.9	34	-33.4	0	0	0	0	111.6
492	T	31.4	Very low	30.1	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	79%	0.788	S	S	*	*			trans	72.5	74	155.8	-39.6	0	0	0	0	118.7
493	A	30.3	Very low	30.3	Very low	91 Å²	91	132 Å²	132	75%	0.752	78%	0.781	S	S	*	*	S	Bend		179.8	121.6	118.2	0	0	0	0	0	112.8
494	C	30.5	Very low	30.3	Very low	132 Å²	132	135.8 Å²	135.8	89%	0.892	79%	0.792	S	S	*	*			trans	42	99.8	161.8	-62.4	0	0	0	0	119.3
495	Q	30.4	Very low	30.5	Very low	187 Å²	187	131.5 Å²	131.5	87%	0.874	79%	0.785	S	S	*	*			trans	-66.8	159.1	175.4	-62.8	177.7	-77.7	0	0	115.5
496	P	29.7	Very low	30.5	Very low	97 Å²	97	132.2 Å²	132.2	63%	0.63	78%	0.784	S	S	*	*			trans	-113	179.7	131.7	38.6	-32.2	0	0	0	112.5
497	D	24.7	Very low	30.7	Very low	137 Å²	137	135.7 Å²	135.7	73%	0.733	79%	0.789	S	S	*	*			trans	73.3	167.3	166.9	-49.4	-28.9	0	0	0	116.5
498	P	36.4	Very low	30.7	Very low	102 Å²	102	136.5 Å²	136.5	66%	0.662	79%	0.788	S	S	*	*				-137.6	-170.8	-64.7	42.3	-28	0	0	0	114.2
499	N	26.6	Very low	30.7	Very low	145 Å²	145	136 Å²	136	78%	0.775	79%	0.788	S	S	*	*			trans	66.2	107.4	157	-61.2	-15.5	0	0	0	120.3
500	C	28.4	Very low	30.6	Very low	140 Å²	140	129.6 Å²	129.6	95%	0.946	77%	0.766	S	S	*	*			trans	-128.8	121.7	136.2	-77	0	0	0	0	107.8
501	L	30.3	Very low	30.6	Very low	148 Å²	148	128.7 Å²	128.7	78%	0.775	76%	0.756	S	S	*	*			trans	-132.4	87.7	-179.6	-162.4	141.7	0	0	0	109.9
502	F	27	Very low	30.6	Very low	183 Å²	183	129.2 Å²	129.2	80%	0.803	75%	0.75	S	S	*	*			trans	57.4	131.4	169.2	-53.4	-68.4	0	0	0	117
503	P	32.8	Very low	30.7	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	74%	0.743	S	S	*	*				-133.6	141.1	75.5	34.9	-21.7	0	0	0	115.9
504	M	31	Very low	30.9	Very low	183 Å²	183	128.1 Å²	128.1	90%	0.901	72%	0.724	S	S	*	*			trans	50.4	139.8	139.7	-50.8	-169.8	83.9	0	0	121.7
505	G	33.9	Very low	31.1	Very low	64 Å²	64	125.2 Å²	125.2	66%	0.66	71%	0.705	S	S	*	*			trans	96.4	120.2	168.6	0	0	0	0	0	112.8
506	D	27.8	Very low	31.4	Very low	143 Å²	143	122.1 Å²	122.1	77%	0.765	70%	0.699	S	S	*	*			cis	50.2	99.8	20.6	-55.8	-40.1	0	0	0	111.5
507	H	35.4	Very low	31.8	Very low	178 Å²	178	123.1 Å²	123.1	82%	0.824	71%	0.706	S	S	*	*			cis	-147.1	164.1	35.9	-66.4	-83.8	0	0	0	113.5
508	S	28.3	Very low	32.5	Very low	115 Å²	115	121.9 Å²	121.9	80%	0.804	71%	0.705	S	S	*	*			trans	-71.7	131.4	171	56	0	0	0	0	113
509	S	35.2	Very low	32.5	Very low	109 Å²	109	122 Å²	122	76%	0.762	71%	0.705	S	S	*	*			trans	-138.1	143	146.9	63.3	0	0	0	0	110	N1989	S509-N1989 PolarHBondContact O-ND2 3.36Å
510	V	30	Very low	33	Very low	77 Å²	77	121.7 Å²	121.7	47%	0.467	70%	0.704	S	S	.	*			trans	-127.1	163.9	-170.9	-177.2	0	0	0	0	108.5	N1989	V510-N1989 WeakPolarHBondContact CG1-OD1 3.36Å
511	N	30.1	Very low	33.4	Very low	103 Å²	103	122.9 Å²	122.9	55%	0.551	70%	0.697	S	S	*	*			trans	80.1	169.1	172.3	-42.3	-78.5	0	0	0	113.3	N1989	N511-N1989 PolarHBondContact N-OD1 3.15Å
512	H	32.9	Very low	33.5	Very low	130 Å²	130	122.3 Å²	122.3	60%	0.602	70%	0.695	S	S	*	*				-121.2	136.1	127.2	-136.8	-66.3	0	0	0	109	A2076 P2077 S2078	H512-A2076 HydrophobicContact CB-CB 4.37Å; H512-P2077 HydrophobicContact CB-CB 3.41Å; H512-P2077 VanDerWaalsContact CB-CB 3.41Å; H512-P2077 VanDerWaalsContact ND1-CB 3.26Å; H512-P2077 WeakPolarHBondContact ND1-CB 3.07Å; H512-S2078 WeakPolarHBondContact O-CB 3.47Å; H512-S2078 PolarHBondContact O-OG 3.35Å
513	M	33.1	Very low	34.1	Very low	131 Å²	131	118.1 Å²	118.1	65%	0.645	69%	0.685	S	S	*	*			trans	-43	-105.5	-135.2	-158.4	-160.7	-55.3	0	0	119.2	S2078	M513-S2078 WeakPolarHBondContact CA-OG 3.47Å; M513-S2078 PolarHBondContact N-OG 3.31Å; M513-S2078 VanDerWaalsContact N-OG 3.08Å; M513-S2078 PolarHBondContact O-OG 3.14Å
514	L	35.6	Very low	34.3	Very low	67 Å²	67	116.2 Å²	116.2	35%	0.351	68%	0.68	S	S	.	*			cis	-165.3	149.6	-10.8	-169.9	80	0	0	0	106.8	P2077 S2078 R2079	L514-P2077 HydrophobicContact CB-CG 4.06Å; L514-P2077 HydrophobicContact CD2-CG 4.04Å; L514-P2077 HydrophobicContact CG-CG 4.46Å; L514-S2078 WeakPolarHBondContact CB-OG 3.21Å; L514-S2078 VanDerWaalsContact N-CB 3.29Å; L514-S2078 PolarHBondContact N-OG 3.29Å; L514-R2079 VanDerWaalsContact O-CB 3.27Å; L514-R2079 WeakPolarHBondContact O-CB 3.32Å; L514-R2079 WeakPolarHBondContact O-CD 3.01Å
515	S	34.5	Very low	34.6	Very low	71 Å²	71	112.4 Å²	112.4	50%	0.497	66%	0.659	S	S	.	*			trans	72.2	126.2	163.8	-59.6	0	0	0	0	119.9
516	T	34.9	Very low	34.9	Very low	123 Å²	123	112.4 Å²	112.4	76%	0.755	65%	0.647	S	S	*	*			cis	-169.4	157.8	-9.7	14.8	0	0	0	0	109.5
517	P	38.9	Very low	35.8	Very low	118 Å²	118	110.1 Å²	110.1	77%	0.766	64%	0.638	S	S	*	*				-124.2	-112	-56.3	28.6	-4.2	0	0	0	112.6
518	P	39.5	Very low	36.5	Very low	111 Å²	111	107.2 Å²	107.2	72%	0.721	64%	0.638	S	S	*	*			trans	-125.9	-160.3	-144.5	45.7	-24.4	0	0	0	113
519	P	35.4	Very low	36.7	Very low	103 Å²	103	104 Å²	104	67%	0.669	62%	0.623	S	S	*	*			cis	-133.2	-167.3	-7.4	42.3	-24.5	0	0	0	115.2
520	N	39	Very low	37	Very low	139 Å²	139	101.6 Å²	101.6	74%	0.743	61%	0.605	S	S	*	*			trans	86.4	115.8	152.5	-69.5	-9.5	0	0	0	123.2
521	M	35.7	Very low	37.8	Very low	165 Å²	165	103.5 Å²	103.5	81%	0.813	61%	0.611	S	S	*	*				74.9	122.5	128.8	-63.5	-68	101.1	0	0	123.4
522	L	31.7	Very low	38.1	Very low	137 Å²	137	101.8 Å²	101.8	72%	0.717	60%	0.602	S	S	*	*			trans	-62.5	177.7	161.8	-68.4	161.7	0	0	0	113.8
523	P	39.6	Very low	38.5	Very low	94 Å²	94	100.1 Å²	100.1	61%	0.61	60%	0.597	S	S	*	*			cis	-139.2	-159.6	-35.8	38.1	-18.3	0	0	0	112.9
524	A	38.4	Very low	38.7	Very low	79 Å²	79	94.1 Å²	94.1	65%	0.653	57%	0.568	S	S	*	*			trans	118.4	121	143.3	0	0	0	0	0	118.3
525	F	35.9	Very low	38.8	Very low	104 Å²	104	91.1 Å²	91.1	46%	0.456	55%	0.553	S	S	.	*				85.4	172.5	103.2	-85.9	-104.7	0	0	0	113.6	P556 E557	F525-P556 HydrophobicContact CD1-CB 3.44Å; F525-P556 VanDerWaalsContact CD1-CB 3.44Å; F525-P556 HydrophobicContact CD1-CG 4.31Å; F525-P556 HydrophobicContact CE1-CB 3.31Å; F525-P556 HydrophobicContact CE1-CG 4.08Å; F525-P556 HydrophobicContact CG-CB 4.17Å; F525-P556 HydrophobicContact CZ-CB 3.98Å; F525-E557 HydrophobicContact CD2-CG 4.39Å; F525-E557 HydrophobicContact CE2-CB 4.39Å; F525-E557 HydrophobicContact CE2-CG 3.41Å; F525-E557 VanDerWaalsContact CE2-CG 3.41Å; F525-E557 WeakPolarHBondContact CE2-OE1 3.46Å; F525-E557 HydrophobicContact CZ-CB 4.06Å; F525-E557 HydrophobicContact CZ-CG 3.49Å; F525-E557 VanDerWaalsContact CZ-CG 3.49Å
526	P	41.5	Very low	38.8	Very low	63 Å²	63	89.2 Å²	89.2	41%	0.409	54%	0.541	S	S	.	.				-130.8	-164.6	-69.8	40.4	-22.1	0	0	0	115.3	V555 P556	P526-V555 CarbonylContact C-O 3.4Å; P526-V555 WeakPolarHBondContact CA-O 3.07Å; P526-V555 WeakPolarHBondContact CB-O 3.43Å; P526-P556 HydrophobicContact CB-CB 4.32Å; P526-P556 HydrophobicContact CB-CG 4.48Å
527	T	46	Very low	38.8	Very low	96 Å²	96	89.4 Å²	89.4	59%	0.589	54%	0.536	S	S	*	.			trans	70.2	150.5	160.3	45.2	0	0	0	0	119.7	G554 V555	T527-G554 WeakPolarHBondContact O-CA 3.38Å; T527-V555 PolarHBondContact N-O 3.2Å; T527-V555 VanDerWaalsContact N-O 3.08Å
528	S	49.4	Very low	38.3	Very low	117 Å²	117	87.3 Å²	87.3	82%	0.818	53%	0.529	S	S	*	.			cis	-163.7	-174.4	-0.8	49.6	0	0	0	0	114.1
529	G	33.6	Very low	38.6	Very low	47 Å²	47	85.7 Å²	85.7	49%	0.485	53%	0.525	S	S	.	.			trans	-149.9	-154.5	163.8	0	0	0	0	0	108.7
530	P	41.7	Very low	38.4	Very low	59 Å²	59	85.1 Å²	85.1	38%	0.383	53%	0.529	S	S	.	.			cis	-130.9	-168	-17.5	17.2	11.1	0	0	0	114	N598 M600	P530-N598 HydrophobicContact CB-CB 3.98Å; P530-N598 WeakPolarHBondContact CB-O 3.32Å; P530-M600 VanDerWaalsContact CG-O 3.24Å; P530-M600 WeakPolarHBondContact CG-O 3.32Å
531	L	46.1	Very low	37.9	Very low	116 Å²	116	84.9 Å²	84.9	61%	0.607	53%	0.533	S	S	*	.			trans	148.6	107.4	147.8	-82.5	164.4	0	0	0	119.1	N597 N598	L531-N597 CarbonylContact C-O 3.49Å; L531-N597 VanDerWaalsContact O-CB 3.26Å; L531-N597 WeakPolarHBondContact O-CB 3.49Å; L531-N597 PolarHBondContact O-N 3.39Å; L531-N597 PolarHBondContact O-ND2 2.9Å; L531-N598 PolarHBondContact N-O 3.07Å
532	D	35.7	Very low	37.4	Very low	67 Å²	67	81.3 Å²	81.3	36%	0.358	53%	0.529	S	S	.	.				42	126.7	122.3	-92.4	62.5	0	0	0	123.6	S596 N597 P2120	D532-S596 CarbonylContact C-O 3.52Å; D532-S596 VanDerWaalsContact C-O 3.27Å; D532-N597 PolarHBondContact N-O 2.98Å; D532-P2120 WeakPolarHBondContact OD1-CD 3.25Å; D532-P2120 VanDerWaalsContact OD2-CD 3.25Å; D532-P2120 WeakPolarHBondContact OD2-CD 3.47Å; D532-P2120 WeakPolarHBondContact OD2-CG 3.28Å
533	I	42.9	Very low	37.1	Very low	95 Å²	95	79.7 Å²	79.7	49%	0.487	54%	0.536	S	S	.	.				168	113.4	96.6	-100.7	146.2	0	0	0	113.9	S596 M614	I533-S596 PolarHBondContact N-O 3.19Å; I533-M614 WeakPolarHBondContact CG2-O 3.32Å
534	T	36.7	Very low	36.6	Very low	6 Å²	6	78.1 Å²	78.1	4%	0.037	53%	0.53	C	S	.	.				63.9	155.8	127.3	-49.5	0	0	0	0	117.3	F594 M614 A615 Q616 P2120 T2121	T534-F594 VanDerWaalsContact C-CB 3.41Å; T534-F594 WeakPolarHBondContact O-CB 3.2Å; T534-F594 WeakPolarHBondContact O-CD1 3.16Å; T534-F594 VanDerWaalsContact O-CG 3.27Å; T534-F594 WeakPolarHBondContact O-CG 3.3Å; T534-M614 WeakPolarHBondContact CB-O 3.24Å; T534-M614 VanDerWaalsContact CG2-N 3.34Å; T534-M614 WeakPolarHBondContact CG2-O 3.35Å; T534-A615 VanDerWaalsContact C-C 3.47Å; T534-A615 CarbonylContact O-C 2.93Å; T534-A615 VanDerWaalsContact O-CA 3.29Å; T534-A615 WeakPolarHBondContact O-CA 3.14Å; T534-A615 PolarHBondContact O-N 3.47Å; T534-Q616 PolarHBondContact O-N 3.07Å; T534-Q616 VanDerWaalsContact O-N 3.16Å; T534-P2120 PolarHBondContact N-O 3.12Å; T534-T2121 WeakPolarHBondContact CA-O 2.96Å; T534-T2121 WeakPolarHBondContact OG1-CB 2.97Å; T534-T2121 PolarHBondContact OG1-OG1 2.88Å
535	A	37	Very low	36.1	Very low	4 Å²	4	80.4 Å²	80.4	3%	0.033	53%	0.531	C	S	.	.			cis	-175.2	161.2	-23.6	0	0	0	0	0	112.4	F594 A615 Q616 T2121 D2122	A535-F594 VanDerWaalsContact N-CB 3.34Å; A535-F594 WeakPolarHBondContact O-CD2 3.3Å; A535-F594 VanDerWaalsContact O-CE2 3.31Å; A535-F594 WeakPolarHBondContact O-CE2 3.42Å; A535-A615 VanDerWaalsContact N-C 3.32Å; A535-A615 WeakPolarHBondContact O-CA 3.13Å; A535-Q616 PolarHBondContact O-N 3.01Å; A535-Q616 VanDerWaalsContact O-N 3.12Å; A535-T2121 VanDerWaalsContact CA-O 3.3Å; A535-T2121 WeakPolarHBondContact CA-O 3.37Å; A535-D2122 HydrophobicContact CB-CB 3.35Å; A535-D2122 WeakPolarHBondContact CB-O 3.41Å
536	A	36.2	Very low	36.1	Very low	31 Å²	31	77.6 Å²	77.6	26%	0.256	53%	0.526	S	S	.	.			trans	48.9	139.3	150.7	0	0	0	0	0	122.1	D2122 I2123	A536-D2122 PolarHBondContact N-O 3.37Å; A536-I2123 HydrophobicContact CB-CD1 3.73Å; A536-I2123 HydrophobicContact CB-CG1 3.91Å
537	I	33.1	Very low	35.7	Very low	126 Å²	126	82.8 Å²	82.8	65%	0.646	54%	0.539	S	S	*	.			cis	-162.3	156.1	-8.1	-128.6	170.2	0	0	0	106.1	Q593	I537-Q593 VanDerWaalsContact CA-CD 3.45Å; I537-Q593 VanDerWaalsContact CA-OE1 3.25Å
538	A	30.2	Very low	35.1	Very low	74 Å²	74	83.6 Å²	83.6	61%	0.612	54%	0.544	S	S	*	.			cis	-133.9	-170.4	-8.3	0	0	0	0	0	108.3
539	A	46	Very low	34.5	Very low	77 Å²	77	81.8 Å²	81.8	64%	0.636	54%	0.543	S	S	*	.			trans	-153.9	174.6	179.3	0	0	0	0	0	114.4	L617	A539-L617 HydrophobicContact CB-CD1 3.76Å; A539-L617 HydrophobicContact CB-CD2 4.21Å
540	A	31	Very low	34.7	Very low	92 Å²	92	83 Å²	83	76%	0.76	56%	0.556	S	S	*	*			trans	-150.8	173.5	-178.9	0	0	0	0	0	112.4
541	T	27.6	Very low	34.4	Very low	134 Å²	134	84.5 Å²	84.5	82%	0.822	57%	0.574	S	S	*	*			trans	76.8	117.1	155.2	-52.8	0	0	0	0	120.1
542	A	24.8	Very low	33.9	Very low	89 Å²	89	86 Å²	86	74%	0.736	58%	0.582	S	S	*	*			trans	30.6	140.4	143.5	0	0	0	0	0	124.8
543	A	26.7	Very low	33.7	Very low	104 Å²	104	87.8 Å²	87.8	86%	0.86	60%	0.6	S	S	*	*			trans	76.2	161.2	141.6	0	0	0	0	0	119.7
544	A	28.1	Very low	33.3	Very low	60 Å²	60	85.5 Å²	85.5	50%	0.496	60%	0.6	S	S	.	*			trans	-99.5	162.5	-157.6	0	0	0	0	0	114.6	L622	A544-L622 HydrophobicContact CB-CD1 3.6Å; A544-L622 HydrophobicContact CB-CG 3.8Å
545	I	28.8	Very low	33.2	Very low	128 Å²	128	89 Å²	89	66%	0.656	62%	0.621	S	S	*	*			trans	103	138.2	160.7	-60.4	171.5	0	0	0	115.6	A621	I545-A621 PolarHBondContact N-O 2.95Å; I545-A621 VanDerWaalsContact N-O 3.16Å
546	A	34.8	Very low	32.9	Very low	44 Å²	44	93.1 Å²	93.1	36%	0.364	65%	0.648	S	S	.	*			cis	-170.7	158	-28.5	0	0	0	0	0	113.8	L622 K623	A546-L622 CarbonylContact C-O 3.24Å; A546-L622 WeakPolarHBondContact CA-O 3.25Å; A546-L622 HydrophobicContact CB-CB 4.44Å; A546-K623 HydrophobicContact CB-CG 3.96Å
547	Y	32.7	Very low	32.9	Very low	172 Å²	172	96.5 Å²	96.5	68%	0.675	66%	0.658	S	S	*	*				97.4	132.2	127.3	-121.4	-53.7	0	0	0	121.9	L622 K623	Y547-L622 PolarHBondContact N-O 3.25Å; Y547-K623 VanDerWaalsContact CB-NZ 3.28Å; Y547-K623 HydrophobicContact CD1-CB 4.46Å; Y547-K623 HydrophobicContact CD1-CD 2.3Å; Y547-K623 HydrophobicContact CD1-CG 3.38Å; Y547-K623 HydrophobicContact CD2-CB 4.23Å; Y547-K623 HydrophobicContact CD2-CD 2.31Å; Y547-K623 HydrophobicContact CD2-CG 2.73Å; Y547-K623 HydrophobicContact CE1-CD 2.32Å; Y547-K623 HydrophobicContact CE1-CG 3.86Å; Y547-K623 VanDerWaalsContact CE1-NZ 3.29Å; Y547-K623 HydrophobicContact CE2-CB 4.46Å; Y547-K623 HydrophobicContact CE2-CD 2.31Å; Y547-K623 HydrophobicContact CE2-CG 3.29Å; Y547-K623 HydrophobicContact CG-CB 4.22Å; Y547-K623 HydrophobicContact CG-CD 2.3Å; Y547-K623 HydrophobicContact CG-CG 2.77Å; Y547-K623 WeakPolarHBondContact OH-CD 3.42Å; Y547-K623 WeakPolarHBondContact OH-CE 3.39Å
548	T	33.3	Very low	32.8	Very low	114 Å²	114	97.9 Å²	97.9	70%	0.699	66%	0.655	S	S	*	*			trans	99.6	142.2	143	-14.9	0	0	0	0	118.2	K623	T548-K623 PolarHBondContact OG1-NZ 3.41Å
549	G	38	Very low	32.8	Very low	78 Å²	78	99.9 Å²	99.9	80%	0.804	66%	0.664	S	S	*	*			trans	94.2	136.3	177.6	0	0	0	0	0	114.7
550	G	37.1	Very low	32.1	Very low	73 Å²	73	106.1 Å²	106.1	75%	0.753	67%	0.672	S	S	*	*			cis	144.3	127.9	-15.9	0	0	0	0	0	114.2
551	A	36.6	Very low	32.1	Very low	91 Å²	91	107 Å²	107	75%	0.752	67%	0.668	S	S	*	*			trans	60	162.7	163.9	0	0	0	0	0	118.4
552	D	34.4	Very low	32.2	Very low	147 Å²	147	108.6 Å²	108.6	79%	0.786	67%	0.666	S	S	*	*			cis	-148.8	151	-38.2	-110.6	-41.3	0	0	0	113.6
553	S	32.2	Very low	32.4	Very low	105 Å²	105	112 Å²	112	73%	0.734	67%	0.668	S	S	*	*			trans	34.7	130.3	149	73.7	0	0	0	0	123.2
554	G	34.2	Very low	32.8	Very low	47 Å²	47	112.4 Å²	112.4	49%	0.485	66%	0.662	S	S	.	*			trans	-172.7	80.9	172.8	0	0	0	0	0	114.8	T527	T527-G554 WeakPolarHBondContact O-CA 3.38Å
555	V	34.1	Very low	32.9	Very low	78 Å²	78	116 Å²	116	47%	0.473	67%	0.673	S	S	.	*			trans	-57.5	166	-178	-128.5	0	0	0	0	113.5	P526 T527	P526-V555 CarbonylContact C-O 3.4Å; P526-V555 WeakPolarHBondContact CA-O 3.07Å; P526-V555 WeakPolarHBondContact CB-O 3.43Å; T527-V555 PolarHBondContact N-O 3.2Å; T527-V555 VanDerWaalsContact N-O 3.08Å
556	P	32.2	Very low	33.2	Very low	92 Å²	92	116.1 Å²	116.1	60%	0.597	68%	0.684	S	S	*	*				-147.7	148.3	62.4	39.2	-17.7	0	0	0	121	F525 P526	F525-P556 HydrophobicContact CD1-CB 3.44Å; F525-P556 VanDerWaalsContact CD1-CB 3.44Å; F525-P556 HydrophobicContact CD1-CG 4.31Å; F525-P556 HydrophobicContact CE1-CB 3.31Å; F525-P556 HydrophobicContact CE1-CG 4.08Å; F525-P556 HydrophobicContact CG-CB 4.17Å; F525-P556 HydrophobicContact CZ-CB 3.98Å; P526-P556 HydrophobicContact CB-CB 4.32Å; P526-P556 HydrophobicContact CB-CG 4.48Å
557	E	34.5	Very low	33.2	Very low	102 Å²	102	120 Å²	120	48%	0.477	70%	0.704	S	S	.	*			trans	85.2	114.5	141.3	-103.2	-162.8	173	0	0	126.5	F525	F525-E557 HydrophobicContact CD2-CG 4.39Å; F525-E557 HydrophobicContact CE2-CB 4.39Å; F525-E557 HydrophobicContact CE2-CG 3.41Å; F525-E557 VanDerWaalsContact CE2-CG 3.41Å; F525-E557 WeakPolarHBondContact CE2-OE1 3.46Å; F525-E557 HydrophobicContact CZ-CB 4.06Å; F525-E557 HydrophobicContact CZ-CG 3.49Å; F525-E557 VanDerWaalsContact CZ-CG 3.49Å
558	R	32.5	Very low	33.5	Very low	155 Å²	155	117.7 Å²	117.7	59%	0.585	71%	0.71	S	S	*	*			trans	55.5	107.4	133.2	-87.7	-178.1	-174.6	140.7	6.8	119.7
559	S	29.7	Very low	33.6	Very low	115 Å²	115	117.5 Å²	117.5	80%	0.804	71%	0.713	S	S	*	*				-48.7	127	115.3	53.8	0	0	0	0	112.6
560	R	31.9	Very low	33.3	Very low	209 Å²	209	119.5 Å²	119.5	79%	0.789	71%	0.709	S	S	*	*			trans	-154.6	130.6	132	-120.8	-178.2	-170.3	-163.1	0.5	112.1
561	T	30	Very low	33.2	Very low	110 Å²	110	123.1 Å²	123.1	68%	0.675	71%	0.71	S	S	*	*			trans	-71.1	165.9	165.5	4.7	0	0	0	0	111.5
562	E	29.1	Very low	33.4	Very low	167 Å²	167	123.6 Å²	123.6	78%	0.78	71%	0.705	S	S	*	*			trans	66.6	92	151.7	-70.6	147.8	-117.7	0	0	118.9
563	M	30.3	Very low	33.2	Very low	160 Å²	160	125 Å²	125	79%	0.788	71%	0.707	S	S	*	*				6.4	137	116.5	-66.9	-70.1	-82.3	0	0	116.1
564	P	35	Very low	33.1	Very low	113 Å²	113	125.3 Å²	125.3	73%	0.734	70%	0.704	S	S	*	*				-147.7	150.3	65.2	39.2	-21	0	0	0	119.1
565	L	30.4	Very low	32.9	Very low	137 Å²	137	131.2 Å²	131.2	72%	0.717	72%	0.719	S	S	*	*			trans	38.7	109.1	138.8	-65.7	162.4	0	0	0	120.4
566	S	34.5	Very low	32.5	Very low	129 Å²	129	133.7 Å²	133.7	90%	0.902	73%	0.734	S	S	*	*			trans	-155.5	151.8	130.7	-82.9	0	0	0	0	110.9
567	V	34	Very low	32.5	Very low	127 Å²	127	134.7 Å²	134.7	77%	0.77	74%	0.741	S	S	*	*			trans	-139.7	135.8	-167.8	175	0	0	0	0	105.3
568	P	38.9	Very low	32.2	Very low	123 Å²	123	137.6 Å²	137.6	80%	0.799	76%	0.757	S	S	*	*				-150.2	143.7	58.9	38	-17	0	0	0	119.5
569	S	35	Very low	32.3	Very low	110 Å²	110	135 Å²	135	77%	0.769	76%	0.76	S	S	*	*	S	Bend	trans	-165.2	134.6	133.8	-163.9	0	0	0	0	111.4
570	V	33.2	Very low	32.1	Very low	119 Å²	119	135.5 Å²	135.5	72%	0.721	76%	0.758	S	S	*	*			trans	20.6	98.1	161.8	-170	0	0	0	0	117.1
571	I	34.8	Very low	31.9	Very low	149 Å²	149	130.2 Å²	130.2	76%	0.764	75%	0.753	S	S	*	*				68.7	133.1	77.2	-63	167.4	0	0	0	112.9
572	P	40.4	Very low	31.8	Very low	101 Å²	101	129.7 Å²	129.7	66%	0.656	75%	0.754	S	S	*	*			cis	-136	151.7	-0.2	38.2	-19	0	0	0	118.6
573	Q	31	Very low	31.9	Very low	178 Å²	178	128.2 Å²	128.2	83%	0.832	75%	0.751	S	S	*	*				60.2	116.8	128.1	-63.8	-177.6	-5.8	0	0	125.3
574	T	29.1	Very low	31.9	Very low	110 Å²	110	125.6 Å²	125.6	68%	0.675	74%	0.744	S	S	*	*				92.3	143.7	110.5	-61.3	0	0	0	0	123.3
575	Q	30.1	Very low	31.8	Very low	171 Å²	171	124 Å²	124	80%	0.799	73%	0.732	S	S	*	*			trans	71.1	123.7	162.1	-85.5	161.2	13.5	0	0	118.4
576	V	26.1	Very low	32	Very low	130 Å²	130	122 Å²	122	79%	0.788	73%	0.726	S	S	*	*				56.9	127.3	59.6	-179.1	0	0	0	0	111.9
577	P	31.4	Very low	31.9	Very low	113 Å²	113	117.8 Å²	117.8	73%	0.734	70%	0.698	S	S	*	*			cis	-136.6	-166.6	10.7	40.3	-19	0	0	0	116
578	M	28.3	Very low	32	Very low	164 Å²	164	113.3 Å²	113.3	81%	0.808	68%	0.678	S	S	*	*			trans	-9	166.6	137.8	-65.7	-79.6	-89.5	0	0	119.2
579	P	34.8	Very low	31.8	Very low	100 Å²	100	113.8 Å²	113.8	65%	0.649	68%	0.679	S	S	*	*			cis	-144.4	-162.8	-5.9	24.3	4.3	0	0	0	116.4
580	V	26.5	Very low	32	Very low	126 Å²	126	113.7 Å²	113.7	76%	0.764	66%	0.662	S	S	*	*			trans	81.8	125.8	148.1	-111.9	0	0	0	0	125.6
581	S	27.3	Very low	32.1	Very low	98 Å²	98	116.6 Å²	116.6	69%	0.685	67%	0.668	S	S	*	*			trans	82.9	102.6	131.5	61.7	0	0	0	0	124.1
582	S	28.1	Very low	32.2	Very low	99 Å²	99	113.3 Å²	113.3	69%	0.692	66%	0.655	S	S	*	*				92	115	107.7	-63.5	0	0	0	0	123.9
583	N	30.3	Very low	31.8	Very low	136 Å²	136	109.5 Å²	109.5	73%	0.727	63%	0.628	S	S	*	*				85.7	113.6	124	-62	0.3	0	0	0	123.1
584	T	31.5	Very low	32	Very low	104 Å²	104	104.1 Å²	104.1	64%	0.638	60%	0.602	S	S	*	*			trans	66.1	138	132.2	61.1	0	0	0	0	122.2
585	V	32.5	Very low	32.2	Very low	79 Å²	79	100.9 Å²	100.9	48%	0.479	59%	0.591	S	S	.	*			cis	-154.6	-156.7	-24.9	-78.1	0	0	0	0	109	F2129 P2130	V585-F2129 HydrophobicContact CB-CD2 4.09Å; V585-F2129 HydrophobicContact CB-CG 4.3Å; V585-F2129 HydrophobicContact CG2-CB 3.93Å; V585-F2129 HydrophobicContact CG2-CD1 4.37Å; V585-F2129 HydrophobicContact CG2-CD2 4.23Å; V585-F2129 HydrophobicContact CG2-CG 3.91Å; V585-P2130 WeakPolarHBondContact CG2-O 3.05Å
586	T	33.8	Very low	32.2	Very low	97 Å²	97	96.6 Å²	96.6	60%	0.595	58%	0.579	S	S	*	*			trans	-147.4	-95.6	-171.4	170.8	0	0	0	0	118	F2129	T586-F2129 WeakPolarHBondContact O-CA 3.07Å; T586-F2129 WeakPolarHBondContact O-CB 2.94Å; T586-F2129 PolarHBondContact O-N 3.44Å
587	A	33.5	Very low	32.4	Very low	39 Å²	39	94.1 Å²	94.1	32%	0.322	56%	0.562	S	S	.	*			trans	28.6	138	177.3	0	0	0	0	0	125	Y2127 F2129	A587-Y2127 WeakPolarHBondContact O-CD1 3.11Å; A587-F2129 HydrophobicContact CB-CB 3.87Å; A587-F2129 HydrophobicContact CB-CD2 3.25Å; A587-F2129 HydrophobicContact CB-CE2 3.89Å; A587-F2129 HydrophobicContact CB-CG 3.78Å; A587-F2129 PolarHBondContact O-N 3.21Å
588	G	34.5	Very low	32.5	Very low	33 Å²	33	93.3 Å²	93.3	34%	0.34	55%	0.552	S	S	.	*			trans	-163	176.1	171.5	0	0	0	0	0	109.4
589	T	35.9	Very low	32.9	Very low	134 Å²	134	88.3 Å²	88.3	82%	0.822	53%	0.533	S	S	*	.			trans	-139.8	149.3	-170.2	51.5	0	0	0	0	113.7
590	W	38	Very low	32.7	Very low	107 Å²	107	86.5 Å²	86.5	41%	0.405	52%	0.516	S	S	.	.			trans	-133.2	161.4	-173.9	-76.6	106.4	0	0	0	114.4	F2119 E2126	W590-F2119 HydrophobicContact CB-CZ 4.3Å; W590-F2119 AromaticContact CD1-CZ 3.82Å; W590-F2119 HydrophobicContact CG-CE1 4.43Å; W590-F2119 HydrophobicContact CG-CZ 4.03Å; W590-E2126 VanDerWaalsContact CE2-CD 3.45Å; W590-E2126 VanDerWaalsContact CE2-OE2 3.27Å; W590-E2126 HydrophobicContact CZ2-CG 4.48Å; W590-E2126 WeakPolarHBondContact CZ2-OE2 3.27Å; W590-E2126 PolarHBondContact NE1-OE1 3.35Å; W590-E2126 PolarHBondContact NE1-OE2 3.31Å; W590-E2126 VanDerWaalsContact NE1-OE2 3.1Å
591	Q	35.9	Very low	33.1	Very low	181 Å²	181	85.1 Å²	85.1	85%	0.846	51%	0.51	S	S	*	.			trans	177.3	145.8	142.8	-96.4	-169.2	-6.8	0	0	108.2
592	T	37.3	Very low	33.1	Very low	80 Å²	80	84.8 Å²	84.8	49%	0.491	51%	0.513	S	S	.	.			cis	-161.3	137.3	-25.3	-38.9	0	0	0	0	107.1	L617 L618	T592-L617 WeakPolarHBondContact O-CD1 3.4Å; T592-L618 HydrophobicContact CG2-CD1 4.33Å
593	Q	32.7	Very low	33.3	Very low	21 Å²	21	82.5 Å²	82.5	10%	0.098	50%	0.5	C	S	.	.			trans	-168.4	118.8	165.7	-164.8	112.3	21.8	0	0	112.7	I537 L617	I537-Q593 VanDerWaalsContact CA-CD 3.45Å; I537-Q593 VanDerWaalsContact CA-OE1 3.25Å; Q593-L617 HydrophobicContact CB-CB 4.31Å; Q593-L617 HydrophobicContact CB-CD1 4.17Å; Q593-L617 HydrophobicContact CG-CB 3.59Å; Q593-L617 HydrophobicContact CG-CD1 4.05Å; Q593-L617 HydrophobicContact CG-CG 4.42Å; Q593-L617 VanDerWaalsContact NE2-CB 3.33Å
594	F	33.8	Very low	33.2	Very low	64 Å²	64	81.1 Å²	81.1	28%	0.281	49%	0.491	S	S	.	.			trans	55.6	166.3	-162.1	-65.8	-109.3	0	0	0	111.9	T534 A535 A615 Q616	T534-F594 VanDerWaalsContact C-CB 3.41Å; T534-F594 WeakPolarHBondContact O-CB 3.2Å; T534-F594 WeakPolarHBondContact O-CD1 3.16Å; T534-F594 VanDerWaalsContact O-CG 3.27Å; T534-F594 WeakPolarHBondContact O-CG 3.3Å; A535-F594 VanDerWaalsContact N-CB 3.34Å; A535-F594 WeakPolarHBondContact O-CD2 3.3Å; A535-F594 VanDerWaalsContact O-CE2 3.31Å; A535-F594 WeakPolarHBondContact O-CE2 3.42Å; F594-A615 WeakPolarHBondContact CD1-O 3.16Å; F594-A615 WeakPolarHBondContact CE1-O 3.28Å; F594-A615 HydrophobicContact CE2-CB 4.41Å; F594-A615 HydrophobicContact CZ-CB 4.1Å; F594-A615 WeakPolarHBondContact CZ-O 3.47Å; F594-Q616 VanDerWaalsContact CA-C 3.49Å; F594-Q616 WeakPolarHBondContact CA-O 3.29Å; F594-Q616 VanDerWaalsContact CB-C 3.49Å; F594-Q616 WeakPolarHBondContact CB-O 3.18Å; F594-Q616 HydrophobicContact CD1-CB 3.77Å; F594-Q616 VanDerWaalsContact CD1-O 3.22Å; F594-Q616 WeakPolarHBondContact CD1-O 3.21Å; F594-Q616 HydrophobicContact CD2-CB 3.5Å; F594-Q616 VanDerWaalsContact CD2-CB 3.5Å; F594-Q616 HydrophobicContact CD2-CG 3.86Å; F594-Q616 HydrophobicContact CE1-CB 3.11Å; F594-Q616 HydrophobicContact CE1-CG 4.4Å; F594-Q616 VanDerWaalsContact CE2-C 3.48Å; F594-Q616 HydrophobicContact CE2-CB 2.8Å; F594-Q616 HydrophobicContact CE2-CG 2.94Å; F594-Q616 HydrophobicContact CG-CB 3.95Å; F594-Q616 WeakPolarHBondContact CG-O 3.47Å; F594-Q616 HydrophobicContact CZ-CB 2.59Å; F594-Q616 VanDerWaalsContact CZ-CD 3.45Å; F594-Q616 HydrophobicContact CZ-CG 3.32Å; F594-Q616 PolarHBondContact N-O 3.08Å
595	G	33.2	Very low	33.2	Very low	43 Å²	43	78.4 Å²	78.4	44%	0.443	47%	0.474	S	S	.	.			cis	-177.1	163.1	-5.2	0	0	0	0	0	109.1
596	S	30.9	Very low	33.1	Very low	80 Å²	80	82.6 Å²	82.6	56%	0.559	48%	0.481	S	S	*	.			trans	-67.1	160.4	177.2	-141.3	0	0	0	0	111.5	D532 I533	D532-S596 CarbonylContact C-O 3.52Å; D532-S596 VanDerWaalsContact C-O 3.27Å; I533-S596 PolarHBondContact N-O 3.19Å
597	N	30.4	Very low	32.9	Very low	79 Å²	79	85 Å²	85	42%	0.422	49%	0.489	S	S	.	.			cis	-134.7	159	9.9	-43.1	-91.7	0	0	0	113.3	L531 D532	L531-N597 CarbonylContact C-O 3.49Å; L531-N597 VanDerWaalsContact O-CB 3.26Å; L531-N597 WeakPolarHBondContact O-CB 3.49Å; L531-N597 PolarHBondContact O-N 3.39Å; L531-N597 PolarHBondContact O-ND2 2.9Å; D532-N597 PolarHBondContact N-O 2.98Å
598	N	33	Very low	32.9	Very low	96 Å²	96	90.2 Å²	90.2	51%	0.513	51%	0.511	S	S	.	.			trans	46.6	120	144.2	-53.9	-17.7	0	0	0	121.3	P530 L531	P530-N598 HydrophobicContact CB-CB 3.98Å; P530-N598 WeakPolarHBondContact CB-O 3.32Å; L531-N598 PolarHBondContact N-O 3.07Å
599	S	36.5	Very low	33	Very low	59 Å²	59	92.4 Å²	92.4	41%	0.413	52%	0.521	S	S	.	.				72.2	159.3	116.1	-172.6	0	0	0	0	122.9	S2118	S599-S2118 PolarHBondContact O-OG 2.9Å
600	M	30.6	Very low	33.1	Very low	61 Å²	61	91.8 Å²	91.8	30%	0.3	51%	0.509	S	S	.	.			trans	-45.7	173.2	169.3	-76.8	-112.1	77.9	0	0	118	P530 Y2116	P530-M600 VanDerWaalsContact CG-O 3.24Å; P530-M600 WeakPolarHBondContact CG-O 3.32Å; M600-Y2116 VanDerWaalsContact CE-CB 3.42Å; M600-Y2116 HydrophobicContact CE-CD1 4.08Å; M600-Y2116 HydrophobicContact CE-CD2 3.58Å; M600-Y2116 HydrophobicContact CE-CE2 4.34Å; M600-Y2116 HydrophobicContact CE-CG 3.42Å; M600-Y2116 VanDerWaalsContact CE-CG 3.42Å; M600-Y2116 VanDerWaalsContact SD-CB 3.5Å; M600-Y2116 HydrophobicContact SD-CD2 3.45Å; M600-Y2116 WeakPolarHBondContact SD-CD2 3.34Å; M600-Y2116 HydrophobicContact SD-CE2 4.4Å; M600-Y2116 HydrophobicContact SD-CG 3.73Å
601	P	34.5	Very low	33.1	Very low	97 Å²	97	93.1 Å²	93.1	63%	0.63	52%	0.52	S	S	*	.			cis	-138.1	166.6	-6.5	31.9	-11.3	0	0	0	118.4
602	A	29.1	Very low	33.5	Very low	92 Å²	92	88 Å²	88	76%	0.76	50%	0.503	S	S	*	.			trans	59.6	-145.8	143.8	0	0	0	0	0	117.6
603	A	31.9	Very low	33.7	Very low	51 Å²	51	89 Å²	89	42%	0.421	50%	0.504	S	S	.	.			trans	68.2	69.2	165.5	0	0	0	0	0	116.7	Q1255 Y1256	A603-Q1255 PolarHBondContact O-NE2 3.41Å; A603-Q1255 PolarHBondContact O-OE1 2.62Å; A603-Q1255 VanDerWaalsContact O-OE1 3.06Å; A603-Y1256 PolarHBondContact N-OH 3.29Å
604	M	28.7	Very low	33.8	Very low	106 Å²	106	94.3 Å²	94.3	52%	0.522	53%	0.53	S	S	.	.			trans	19.5	122	140.5	-70.8	-172.7	-163.1	0	0	116.2	Q1255 Y1256	M604-Q1255 HydrophobicContact CB-CB 3.85Å; M604-Q1255 VanDerWaalsContact O-CB 3.24Å; M604-Q1255 WeakPolarHBondContact O-CB 3.2Å; M604-Q1255 VanDerWaalsContact O-CG 3.25Å; M604-Q1255 WeakPolarHBondContact O-CG 3.18Å; M604-Q1255 PolarHBondContact O-NE2 3.36Å; M604-Q1255 VanDerWaalsContact O-NE2 3.14Å; M604-Q1255 PolarHBondContact O-OE1 3.13Å; M604-Q1255 VanDerWaalsContact O-OE1 3.11Å; M604-Y1256 VanDerWaalsContact CA-CE2 3.4Å; M604-Y1256 HydrophobicContact CB-CD1 2.31Å; M604-Y1256 HydrophobicContact CB-CD2 2.31Å; M604-Y1256 HydrophobicContact CB-CE1 2.31Å; M604-Y1256 HydrophobicContact CB-CE2 2.31Å; M604-Y1256 HydrophobicContact CB-CG 2.32Å; M604-Y1256 WeakPolarHBondContact CB-OH 3.49Å; M604-Y1256 HydrophobicContact CE-CD2 4.37Å; M604-Y1256 HydrophobicContact CE-CE2 4.48Å; M604-Y1256 HydrophobicContact CG-CD1 2.3Å; M604-Y1256 HydrophobicContact CG-CD2 2.3Å; M604-Y1256 HydrophobicContact CG-CE1 2.3Å; M604-Y1256 HydrophobicContact CG-CE2 2.3Å; M604-Y1256 HydrophobicContact CG-CG 2.3Å; M604-Y1256 WeakPolarHBondContact CG-OH 2.92Å; M604-Y1256 VanDerWaalsContact N-CE2 3.34Å; M604-Y1256 PolarHBondContact N-OH 2.7Å; M604-Y1256 WeakPolarHBondContact SD-CB 3.4Å; M604-Y1256 HydrophobicContact SD-CD1 3.48Å; M604-Y1256 WeakPolarHBondContact SD-CD1 3.35Å; M604-Y1256 HydrophobicContact SD-CD2 2.91Å; M604-Y1256 WeakPolarHBondContact SD-CD2 3.26Å; M604-Y1256 HydrophobicContact SD-CE1 4.07Å; M604-Y1256 HydrophobicContact SD-CE2 3.6Å; M604-Y1256 VanDerWaalsContact SD-CE2 3.6Å; M604-Y1256 HydrophobicContact SD-CG 2.84Å
605	V	30.9	Very low	34	Very low	47 Å²	47	93.6 Å²	93.6	29%	0.285	54%	0.537	S	S	.	.			trans	73.9	116.9	133.2	167.4	0	0	0	0	121.1	L607 Y1256 T1257	V605-L607 PolarHBondContact O-N 3.42Å; V605-Y1256 HydrophobicContact CB-CD1 4.23Å; V605-Y1256 HydrophobicContact CB-CG 4.5Å; V605-Y1256 HydrophobicContact CG2-CD1 3.47Å; V605-Y1256 VanDerWaalsContact CG2-CD1 3.47Å; V605-Y1256 HydrophobicContact CG2-CE1 4.44Å; V605-Y1256 HydrophobicContact CG2-CG 4.23Å; V605-T1257 HydrophobicContact CG2-CG2 3.38Å
606	R	29.7	Very low	34.3	Very low	168 Å²	168	97.7 Å²	97.7	63%	0.634	54%	0.544	S	S	*	.				12.9	66.6	115.7	-161.8	-160.6	-132.6	-165.9	-0.3	118	K1258	R606-K1258 PolarHBondContact NH1-O 2.78Å
607	L	30.4	Very low	34.7	Very low	146 Å²	146	96.4 Å²	96.4	76%	0.764	53%	0.531	S	S	*	.				-120.6	117.4	99.8	-74.1	101.1	0	0	0	106	V605	V605-L607 PolarHBondContact O-N 3.42Å
608	L	33.2	Very low	35	Very low	149 Å²	149	97.6 Å²	97.6	78%	0.78	54%	0.537	S	S	*	.				60.4	117.6	89.8	-65.1	161.8	0	0	0	111.8
609	S	35.6	Very low	35	Very low	80 Å²	80	100.9 Å²	100.9	56%	0.559	55%	0.549	S	S	*	.			cis	-170.6	158.2	0.6	78.3	0	0	0	0	113.7
610	Q	39.3	Very low	34.9	Very low	120 Å²	120	104.4 Å²	104.4	56%	0.561	56%	0.563	S	S	*	*			trans	71.3	116.6	151.6	-64.5	175.5	105.8	0	0	118.8
611	Q	38.2	Very low	35.2	Very low	136 Å²	136	104.6 Å²	104.6	64%	0.636	57%	0.574	S	S	*	*				84.6	153.7	77.4	-83.4	-155	-57.6	0	0	116.4
612	P	44.5	Very low	35.2	Very low	74 Å²	74	104.9 Å²	104.9	48%	0.481	57%	0.57	S	S	.	*			cis	-152.5	164.2	-30.2	42	-22.3	0	0	0	120.4
613	L	41.1	Very low	35.7	Very low	101 Å²	101	104.6 Å²	104.6	53%	0.529	55%	0.551	S	S	.	*			trans	90.7	145.9	137.9	-84.7	162.9	0	0	0	127.1
614	M	33.4	Very low	35.4	Very low	131 Å²	131	110.9 Å²	110.9	65%	0.645	58%	0.575	S	S	*	*			trans	83.5	149.5	173.9	-51	-48.2	-170.7	0	0	118	I533 T534	I533-M614 WeakPolarHBondContact CG2-O 3.32Å; T534-M614 WeakPolarHBondContact CB-O 3.24Å; T534-M614 VanDerWaalsContact CG2-N 3.34Å; T534-M614 WeakPolarHBondContact CG2-O 3.35Å
615	A	38.8	Very low	35.4	Very low	50 Å²	50	111.4 Å²	111.4	41%	0.413	59%	0.589	S	S	.	*			cis	-172.8	0	-17.4	0	0	0	0	0	111.1	T534 A535 F594	T534-A615 VanDerWaalsContact C-C 3.47Å; T534-A615 CarbonylContact O-C 2.93Å; T534-A615 VanDerWaalsContact O-CA 3.29Å; T534-A615 WeakPolarHBondContact O-CA 3.14Å; T534-A615 PolarHBondContact O-N 3.47Å; A535-A615 VanDerWaalsContact N-C 3.32Å; A535-A615 WeakPolarHBondContact O-CA 3.13Å; F594-A615 WeakPolarHBondContact CD1-O 3.16Å; F594-A615 WeakPolarHBondContact CE1-O 3.28Å; F594-A615 HydrophobicContact CE2-CB 4.41Å; F594-A615 HydrophobicContact CZ-CB 4.1Å; F594-A615 WeakPolarHBondContact CZ-O 3.47Å
616	Q	39.9	Very low	35.2	Very low	129 Å²	129	114.2 Å²	114.2	60%	0.603	62%	0.616	S	S	*	*				0	106.7	0	-76.7	114.4	-4.5	0	0	129.7	T534 A535 F594	T534-Q616 PolarHBondContact O-N 3.07Å; T534-Q616 VanDerWaalsContact O-N 3.16Å; A535-Q616 PolarHBondContact O-N 3.01Å; A535-Q616 VanDerWaalsContact O-N 3.12Å; F594-Q616 VanDerWaalsContact CA-C 3.49Å; F594-Q616 WeakPolarHBondContact CA-O 3.29Å; F594-Q616 VanDerWaalsContact CB-C 3.49Å; F594-Q616 WeakPolarHBondContact CB-O 3.18Å; F594-Q616 HydrophobicContact CD1-CB 3.77Å; F594-Q616 VanDerWaalsContact CD1-O 3.22Å; F594-Q616 WeakPolarHBondContact CD1-O 3.21Å; F594-Q616 HydrophobicContact CD2-CB 3.5Å; F594-Q616 VanDerWaalsContact CD2-CB 3.5Å; F594-Q616 HydrophobicContact CD2-CG 3.86Å; F594-Q616 HydrophobicContact CE1-CB 3.11Å; F594-Q616 HydrophobicContact CE1-CG 4.4Å; F594-Q616 VanDerWaalsContact CE2-C 3.48Å; F594-Q616 HydrophobicContact CE2-CB 2.8Å; F594-Q616 HydrophobicContact CE2-CG 2.94Å; F594-Q616 HydrophobicContact CG-CB 3.95Å; F594-Q616 WeakPolarHBondContact CG-O 3.47Å; F594-Q616 HydrophobicContact CZ-CB 2.59Å; F594-Q616 VanDerWaalsContact CZ-CD 3.45Å; F594-Q616 HydrophobicContact CZ-CG 3.32Å; F594-Q616 PolarHBondContact N-O 3.08Å
617	L	39.3	Very low	35.2	Very low	53 Å²	53	110.3 Å²	110.3	28%	0.277	63%	0.628	S	S	.	*			trans	-90.8	170.9	163.8	172.7	146.3	0	0	0	113.5	A539 T592 Q593	A539-L617 HydrophobicContact CB-CD1 3.76Å; A539-L617 HydrophobicContact CB-CD2 4.21Å; T592-L617 WeakPolarHBondContact O-CD1 3.4Å; Q593-L617 HydrophobicContact CB-CB 4.31Å; Q593-L617 HydrophobicContact CB-CD1 4.17Å; Q593-L617 HydrophobicContact CG-CB 3.59Å; Q593-L617 HydrophobicContact CG-CD1 4.05Å; Q593-L617 HydrophobicContact CG-CG 4.42Å; Q593-L617 VanDerWaalsContact NE2-CB 3.33Å
618	L	36.8	Very low	34.9	Very low	103 Å²	103	110.7 Å²	110.7	54%	0.539	63%	0.631	S	S	.	*			cis	-162.7	166.8	-45.7	-109.5	73.1	0	0	0	104.4	T592	T592-L618 HydrophobicContact CG2-CD1 4.33Å
619	Q	33.3	Very low	34.9	Very low	166 Å²	166	108.2 Å²	108.2	78%	0.776	63%	0.626	S	S	*	*			trans	-137.4	152.4	138.7	-74	-166.8	4.6	0	0	112.1
620	N	34.8	Very low	34.8	Very low	133 Å²	133	112.6 Å²	112.6	71%	0.711	64%	0.638	S	S	*	*			trans	31.4	128.6	154.1	-50	-15.6	0	0	0	120.2
621	A	36	Very low	34.6	Very low	64 Å²	64	111.7 Å²	111.7	53%	0.529	64%	0.64	S	S	.	*			trans	-145.4	142.3	-173.3	0	0	0	0	0	117.2	I545	I545-A621 PolarHBondContact N-O 2.95Å; I545-A621 VanDerWaalsContact N-O 3.16Å
622	L	34.7	Very low	34.3	Very low	104 Å²	104	109 Å²	109	55%	0.545	64%	0.635	S	S	.	*			trans	-167	-159.6	142.5	-76.7	-156.8	0	0	0	104.5	A544 A546 Y547	A544-L622 HydrophobicContact CB-CD1 3.6Å; A544-L622 HydrophobicContact CB-CG 3.8Å; A546-L622 CarbonylContact C-O 3.24Å; A546-L622 WeakPolarHBondContact CA-O 3.25Å; A546-L622 HydrophobicContact CB-CB 4.44Å; Y547-L622 PolarHBondContact N-O 3.25Å
623	K	39	Very low	33.4	Very low	85 Å²	85	114 Å²	114	37%	0.37	65%	0.649	S	S	.	*			cis	-82.1	-155	14.5	-61.7	177.8	-178.1	60.3	0	111.6	A546 Y547 T548	A546-K623 HydrophobicContact CB-CG 3.96Å; Y547-K623 VanDerWaalsContact CB-NZ 3.28Å; Y547-K623 HydrophobicContact CD1-CB 4.46Å; Y547-K623 HydrophobicContact CD1-CD 2.3Å; Y547-K623 HydrophobicContact CD1-CG 3.38Å; Y547-K623 HydrophobicContact CD2-CB 4.23Å; Y547-K623 HydrophobicContact CD2-CD 2.31Å; Y547-K623 HydrophobicContact CD2-CG 2.73Å; Y547-K623 HydrophobicContact CE1-CD 2.32Å; Y547-K623 HydrophobicContact CE1-CG 3.86Å; Y547-K623 VanDerWaalsContact CE1-NZ 3.29Å; Y547-K623 HydrophobicContact CE2-CB 4.46Å; Y547-K623 HydrophobicContact CE2-CD 2.31Å; Y547-K623 HydrophobicContact CE2-CG 3.29Å; Y547-K623 HydrophobicContact CG-CB 4.22Å; Y547-K623 HydrophobicContact CG-CD 2.3Å; Y547-K623 HydrophobicContact CG-CG 2.77Å; Y547-K623 WeakPolarHBondContact OH-CD 3.42Å; Y547-K623 WeakPolarHBondContact OH-CE 3.39Å; T548-K623 PolarHBondContact OG1-NZ 3.41Å
624	M	27	Very low	32.8	Very low	184 Å²	184	114.7 Å²	114.7	91%	0.906	66%	0.663	S	S	*	*	S	Bend	trans	-57.7	149.6	161.7	-57.6	164.3	71.9	0	0	109.9
625	S	27.3	Very low	32.8	Very low	117 Å²	117	114.7 Å²	114.7	82%	0.818	67%	0.67	S	S	*	*			cis	-143.2	104.4	8.5	170.6	0	0	0	0	111.7
626	A	28.1	Very low	32.2	Very low	105 Å²	105	121.8 Å²	121.8	87%	0.868	70%	0.695	S	S	*	*			trans	-130.7	124.6	163.2	0	0	0	0	0	108.5
627	G	27.9	Very low	32.1	Very low	86 Å²	86	122.1 Å²	122.1	89%	0.887	70%	0.701	S	S	*	*			trans	146.9	31.3	-176	0	0	0	0	0	117.1
628	N	26	Very low	31.8	Very low	154 Å²	154	125.4 Å²	125.4	82%	0.824	73%	0.725	S	S	*	*			trans	-136.7	123.2	169.8	-162	8.7	0	0	0	110.2
629	S	31.4	Very low	31.3	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	74%	0.737	S	S	*	*			trans	65.1	145.7	-175.3	-109.9	0	0	0	0	114.8
630	Q	34.8	Very low	31.1	Very low	173 Å²	173	123.4 Å²	123.4	81%	0.808	73%	0.729	S	S	*	*			cis	-133.8	136.2	0.4	-59.4	176.8	-4	0	0	107.7
631	V	33.5	Very low	30.9	Very low	100 Å²	100	122.3 Å²	122.3	61%	0.606	74%	0.739	S	S	*	*				67.1	113.5	53.4	-178.5	0	0	0	0	110.2	K633	V631-K633 HydrophobicContact CG1-CG 4.37Å
632	P	31.9	Very low	30.4	Very low	81 Å²	81	126.3 Å²	126.3	53%	0.526	74%	0.744	S	S	.	*				-118.2	128.1	59.8	39.8	-37.5	0	0	0	118.3	F2129	P632-F2129 HydrophobicContact CB-CE1 4.23Å; P632-F2129 HydrophobicContact CB-CZ 4.31Å; P632-F2129 HydrophobicContact CG-CD1 4.34Å; P632-F2129 HydrophobicContact CG-CE1 3.58Å; P632-F2129 HydrophobicContact CG-CZ 3.88Å
633	K	25.8	Very low	30.4	Very low	177 Å²	177	129.6 Å²	129.6	77%	0.77	76%	0.761	S	S	*	*				45.3	130.5	124	-59.5	-177.2	178.3	-179.6	0	120.7	V631	V631-K633 HydrophobicContact CG1-CG 4.37Å
634	S	29.6	Very low	29.9	Very low	117 Å²	117	129.9 Å²	129.9	82%	0.818	77%	0.767	S	S	*	*			trans	72	121.5	163.9	71.6	0	0	0	0	115.5
635	T	33.6	Very low	30.1	Very low	130 Å²	130	126.4 Å²	126.4	80%	0.798	76%	0.758	S	S	*	*			cis	-136.4	136.6	4.7	-51.1	0	0	0	0	110.5	N637	T635-N637 PolarHBondContact O-N 3.48Å
636	Q	26.1	Very low	30.2	Very low	199 Å²	199	125.8 Å²	125.8	93%	0.93	75%	0.746	S	S	*	*			trans	-67	122.6	174.3	-69.4	171.7	-75.6	0	0	109.6
637	N	36.2	Very low	30.4	Very low	137 Å²	137	129.7 Å²	129.7	73%	0.733	74%	0.743	S	S	*	*			trans	-157.9	109.8	174.2	-168.4	11.8	0	0	0	105.7	T635	T635-N637 PolarHBondContact O-N 3.48Å
638	P	34.2	Very low	30.6	Very low	122 Å²	122	130.4 Å²	130.4	79%	0.792	74%	0.735	S	S	*	*				-147.5	135.8	105.2	35.4	-18.5	0	0	0	114.9
639	Q	25.1	Very low	30.6	Very low	167 Å²	167	128.5 Å²	128.5	78%	0.78	73%	0.729	S	S	*	*			trans	-79	151.2	147.3	-124.3	81.5	8.8	0	0	109.5
640	G	30.1	Very low	30.7	Very low	59 Å²	59	127.5 Å²	127.5	61%	0.608	71%	0.713	S	S	*	*			trans	88.7	113.8	146.6	0	0	0	0	0	118.2
641	A	31.2	Very low	30.7	Very low	111 Å²	111	127 Å²	127	92%	0.917	70%	0.704	S	S	*	*				-99.2	99.4	124.9	0	0	0	0	0	106.2
642	F	24.9	Very low	30.4	Very low	147 Å²	147	128.6 Å²	128.6	65%	0.645	70%	0.703	S	S	*	*			trans	-84.4	117.8	-173.1	-99	-70.8	0	0	0	112.3	N644	F642-N644 HydrophobicContact CB-CB 4.46Å; F642-N644 HydrophobicContact CD1-CB 3.8Å; F642-N644 VanDerWaalsContact CD1-OD1 3.25Å; F642-N644 WeakPolarHBondContact CD1-OD1 3.39Å; F642-N644 WeakPolarHBondContact CE1-OD1 3.34Å
643	L	34	Very low	30.6	Very low	173 Å²	173	132 Å²	132	91%	0.906	72%	0.716	S	S	*	*			trans	-141.5	94.2	135.3	-63	175.9	0	0	0	102.9
644	N	28.6	Very low	31	Very low	91 Å²	91	130.9 Å²	130.9	49%	0.487	71%	0.713	S	S	.	*			cis	59.2	132	47.3	-131.1	58.1	0	0	0	111.9	F642 D646	F642-N644 HydrophobicContact CB-CB 4.46Å; F642-N644 HydrophobicContact CD1-CB 3.8Å; F642-N644 VanDerWaalsContact CD1-OD1 3.25Å; F642-N644 WeakPolarHBondContact CD1-OD1 3.39Å; F642-N644 WeakPolarHBondContact CE1-OD1 3.34Å; N644-D646 PolarHBondContact ND2-OD1 3.46Å
645	P	32.8	Very low	30.8	Very low	111 Å²	111	132.2 Å²	132.2	72%	0.721	71%	0.71	S	S	*	*			cis	-117.1	176.6	26.7	15.3	9.6	0	0	0	114.7
646	D	29.5	Very low	30.3	Very low	104 Å²	104	133.7 Å²	133.7	56%	0.556	71%	0.706	S	S	*	*			cis	-164.6	156.8	-17.3	-104.8	-22	0	0	0	111.3	N644	N644-D646 PolarHBondContact ND2-OD1 3.46Å
647	F	30.5	Very low	30.5	Very low	187 Å²	187	130.8 Å²	130.8	82%	0.82	70%	0.697	S	S	*	*			trans	44.8	153.3	148.1	-74.3	-116.4	0	0	0	122.3
648	S	32.2	Very low	30	Very low	101 Å²	101	130.7 Å²	130.7	71%	0.706	69%	0.692	S	S	*	*			cis	-168.8	-179.1	-17.8	58.2	0	0	0	0	110.1
649	V	27.4	Very low	29.7	Very low	115 Å²	115	129.1 Å²	129.1	70%	0.697	68%	0.683	S	S	*	*			trans	-146.9	157.9	-169.8	-163.1	0	0	0	0	114.1	N325	N325-V649 PolarHBondContact ND2-O 3.39Å
650	E	33.5	Very low	29.8	Very low	76 Å²	76	128.7 Å²	128.7	36%	0.355	68%	0.681	S	S	.	*			trans	88.7	148.4	166	-74.8	-155.3	-174.1	0	0	119.4	S324 N325	S324-E650 WeakPolarHBondContact CA-OE2 3.41Å; S324-E650 WeakPolarHBondContact CB-OE2 3.26Å; S324-E650 PolarHBondContact N-OE2 3.48Å; S324-E650 PolarHBondContact OG-OE2 3.49Å; N325-E650 HydrophobicContact CB-CB 4.07Å; N325-E650 VanDerWaalsContact ND2-CB 3.35Å; N325-E650 WeakPolarHBondContact ND2-CB 3.28Å; N325-E650 WeakPolarHBondContact ND2-CG 3.17Å; N325-E650 VanDerWaalsContact OD1-CD 3.23Å; N325-E650 PolarHBondContact OD1-OE1 3.16Å
651	R	34	Very low	29.8	Very low	161 Å²	161	133.8 Å²	133.8	61%	0.608	69%	0.691	S	S	*	*			cis	-165.6	168.7	-15.3	178.7	-179.6	-76.1	-76.9	-1.6	110.3
652	F	27.8	Very low	29.7	Very low	134 Å²	134	135.2 Å²	135.2	59%	0.588	68%	0.683	S	S	*	*			trans	87.8	113.5	165.5	-85.8	-86	0	0	0	118.5	Y322 G323	Y322-F652 VanDerWaalsContact CB-CE2 3.47Å; Y322-F652 HydrophobicContact CD1-CZ 4.39Å; Y322-F652 HydrophobicContact CD2-CZ 4.46Å; Y322-F652 HydrophobicContact CG-CE2 4.25Å; Y322-F652 AromaticContact CG-CZ 3.91Å; Y322-F652 HydrophobicContact CG-CZ 3.91Å; G323-F652 WeakPolarHBondContact O-CD2 3.47Å; G323-F652 WeakPolarHBondContact O-CE2 3.05Å
653	L	36.5	Very low	29.9	Very low	152 Å²	152	139.9 Å²	139.9	80%	0.796	70%	0.697	S	S	*	*			trans	-176.2	129.1	142.4	-91.4	157.6	0	0	0	104
654	E	33.7	Very low	29.5	Very low	154 Å²	154	136.3 Å²	136.3	72%	0.72	68%	0.684	S	S	*	*				88.1	159.6	76.2	-159.1	139.1	-105.5	0	0	112.8
655	I	24.2	Very low	29.7	Very low	146 Å²	146	141.4 Å²	141.4	75%	0.749	71%	0.705	S	S	*	*	S	Bend	trans	-102.6	135.4	-153.9	-66.9	176.2	0	0	0	110.7
656	F	24.3	Very low	29.8	Very low	161 Å²	161	139.2 Å²	139.2	71%	0.706	70%	0.703	S	S	*	*			trans	46.6	89.4	172.1	-86.3	-105	0	0	0	115.9
657	N	30.2	Very low	29.8	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	72%	0.715	S	S	*	*				-160.4	128.6	110.4	-96.5	-19.1	0	0	0	108.8
658	Q	25.9	Very low	30.2	Very low	135 Å²	135	137 Å²	137	63%	0.631	71%	0.713	S	S	*	*			cis	67.2	139.1	29.4	-155.1	-161.8	107.4	0	0	112.9
659	S	28.5	Very low	29.9	Very low	88 Å²	88	140 Å²	140	62%	0.615	72%	0.719	S	S	*	*			trans	70.7	138.5	174.7	94.1	0	0	0	0	113
660	Q	25.8	Very low	30.1	Very low	158 Å²	158	139.3 Å²	139.3	74%	0.738	72%	0.72	S	S	*	*			cis	-140.5	155.9	-5.1	-52.8	170.7	25.7	0	0	104.9
661	M	30.6	Very low	29.9	Very low	166 Å²	166	141.1 Å²	141.1	82%	0.818	74%	0.74	S	S	*	*	S	Bend	cis	-170.8	164	42.3	-73.5	-174.7	-178.6	0	0	106.9
662	N	28.8	Very low	29.7	Very low	141 Å²	141	138.9 Å²	138.9	75%	0.754	75%	0.747	S	S	*	*			cis	-136.7	155	-24.3	-161	3.4	0	0	0	107.5	P664	N662-P664 WeakPolarHBondContact O-CD 3.43Å
663	W	29.2	Very low	29.8	Very low	246 Å²	246	142 Å²	142	93%	0.932	76%	0.76	S	S	*	*			trans	-76.7	133.7	-158.9	-70.9	69.1	0	0	0	115.7
664	P	26.6	Very low	29.4	Very low	97 Å²	97	141.9 Å²	141.9	63%	0.63	76%	0.76	S	S	*	*			trans	-126.6	145.4	154.6	36.1	-21.4	0	0	0	113.7	N662	N662-P664 WeakPolarHBondContact O-CD 3.43Å
665	Q	31.1	Very low	29.3	Very low	199 Å²	199	140.7 Å²	140.7	93%	0.93	76%	0.763	S	S	*	*			trans	61	117.4	145.7	-62.5	164.9	-4.3	0	0	119.5
666	G	34.6	Very low	29.9	Very low	65 Å²	65	140.5 Å²	140.5	67%	0.67	76%	0.763	S	S	*	*			trans	112.4	59.5	165.5	0	0	0	0	0	114.5
667	P	30.1	Very low	30.5	Very low	126 Å²	126	137.9 Å²	137.9	82%	0.818	77%	0.765	S	S	*	*				-109.5	129.1	98.6	29.4	-35.3	0	0	0	112.7
668	P	40.3	Very low	30.5	Very low	119 Å²	119	135.6 Å²	135.6	77%	0.773	76%	0.76	S	S	*	*			trans	-124.1	86	172.7	36.8	-21.2	0	0	0	112.9
669	I	24.9	Very low	31.3	Very low	162 Å²	162	136.9 Å²	136.9	83%	0.831	77%	0.766	S	S	*	*	S	Bend		-112.5	116.2	116.8	-69.2	-178.1	0	0	0	105.6
670	S	31.9	Very low	31.5	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	77%	0.768	S	S	*	*			trans	15.4	104.7	169.3	59.6	0	0	0	0	118.7
671	S	29.6	Very low	31.5	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	77%	0.77	S	S	*	*				-104.3	135.8	122	55.2	0	0	0	0	107
672	P	29.7	Very low	31.6	Very low	114 Å²	114	134.1 Å²	134.1	74%	0.74	76%	0.764	S	S	*	*				-147.4	114.1	107.4	34	-16.3	0	0	0	114.1
673	K	28.8	Very low	31.7	Very low	200 Å²	200	135 Å²	135	87%	0.87	76%	0.764	S	S	*	*			trans	-171.6	118.2	132.4	-108.3	173.8	-179	-175.1	0	112.1
674	N	28.2	Very low	31.8	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	76%	0.755	S	S	*	*			trans	-82	175	148.2	-55.4	-28.8	0	0	0	107.1
675	T	31.7	Very low	31.9	Very low	128 Å²	128	128.8 Å²	128.8	79%	0.785	75%	0.751	S	S	*	*			cis	-150	174.7	13	-35.1	0	0	0	0	109.2
676	L	37.3	Very low	31.7	Very low	143 Å²	143	126.5 Å²	126.5	75%	0.749	74%	0.744	S	S	*	*	S	Bend	trans	-69.9	167.2	169.3	-74.2	82.2	0	0	0	112.3	S678	L676-S678 PolarHBondContact O-N 2.69Å
677	S	36.2	Very low	31.5	Very low	106 Å²	106	128.2 Å²	128.2	74%	0.741	75%	0.746	S	S	*	*	S	Bend	trans	-29	117.1	166.2	56	0	0	0	0	113.1
678	S	31.1	Very low	31.6	Very low	90 Å²	90	128 Å²	128	63%	0.629	74%	0.742	S	S	*	*	S	Bend	cis	-47.6	121.6	4.1	50	0	0	0	0	116.8	L676	L676-S678 PolarHBondContact O-N 2.69Å
679	E	43	Very low	31.4	Very low	162 Å²	162	129.9 Å²	129.9	76%	0.757	74%	0.742	S	S	*	*	S	Bend	cis	-145.4	157	0	-88.9	108.6	175	0	0	112.6
680	S	31.2	Very low	31.7	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	74%	0.743	S	S	*	*			trans	35.2	135.6	148.2	68.8	0	0	0	0	123.3
681	N	27.4	Very low	31.9	Very low	145 Å²	145	135.6 Å²	135.6	78%	0.775	75%	0.745	S	S	*	*				34.5	135.8	124.7	-58.9	-9	0	0	0	119.9
682	T	31.8	Very low	32.1	Very low	114 Å²	114	135.5 Å²	135.5	70%	0.699	74%	0.735	S	S	*	*			cis	-168.8	153.8	10.8	4.9	0	0	0	0	110.3
683	Q	30.4	Very low	32.2	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.743	74%	0.736	S	S	*	*			trans	65	144	163.4	-65.4	177.2	-46.3	0	0	114.7
684	V	31.6	Very low	32.2	Very low	123 Å²	123	132.9 Å²	132.9	75%	0.745	73%	0.727	S	S	*	*			cis	62.8	132.7	47.7	-174.1	0	0	0	0	108.9
685	T	28.7	Very low	32.3	Very low	90 Å²	90	130.6 Å²	130.6	55%	0.552	72%	0.722	S	S	*	*				-178.8	135.8	93	-47.3	0	0	0	0	102.5
686	I	28.1	Very low	32.5	Very low	151 Å²	151	131.1 Å²	131.1	77%	0.774	73%	0.726	S	S	*	*				38.2	136.9	85.1	-70.4	168.2	0	0	0	112.4
687	S	28.7	Very low	32.4	Very low	101 Å²	101	128.6 Å²	128.6	71%	0.706	72%	0.72	S	S	*	*	S	Bend	trans	-51.8	142	178.7	-51.4	0	0	0	0	112.7
688	T	33.4	Very low	32.4	Very low	121 Å²	121	129.4 Å²	129.4	74%	0.742	72%	0.721	S	S	*	*	S	Bend	trans	55	98.2	159.2	48.5	0	0	0	0	118.5
689	M	35.6	Very low	32.4	Very low	158 Å²	158	130.6 Å²	130.6	78%	0.778	72%	0.724	S	S	*	*			trans	63.6	109.7	137	-57.9	-162.9	-60.1	0	0	121.4
690	R	30.8	Very low	31.9	Very low	224 Å²	224	129.4 Å²	129.4	85%	0.845	72%	0.723	S	S	*	*			trans	73.6	157.3	131.9	-63.9	-175.4	177.5	-166	-0	120.1
691	H	36.6	Very low	31.8	Very low	161 Å²	161	130.1 Å²	130.1	75%	0.745	73%	0.728	S	S	*	*			trans	72.7	106.3	165.9	-82	-37.9	0	0	0	120.6
692	D	33.1	Very low	31.8	Very low	110 Å²	110	128.6 Å²	128.6	59%	0.588	73%	0.727	S	S	*	*				70.2	108.3	113.5	-67.5	37.3	0	0	0	121.8
693	Q	32.1	Very low	31.8	Very low	161 Å²	161	131.4 Å²	131.4	75%	0.752	74%	0.737	S	S	*	*				56.2	84.8	113.2	-63.3	-173.8	91.7	0	0	119
694	S	28.9	Very low	31.9	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	74%	0.742	S	S	*	*				78.3	157.4	105.2	71.2	0	0	0	0	122.6
695	S	30	Very low	31.6	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	73%	0.732	S	S	*	*			trans	67.9	86.1	143.8	56.6	0	0	0	0	119.5
696	T	36.3	Very low	31.7	Very low	139 Å²	139	132.9 Å²	132.9	85%	0.853	73%	0.728	S	S	*	*				-140.6	141	105.6	43.4	0	0	0	0	108.6
697	S	36.1	Very low	31.8	Very low	90 Å²	90	134.1 Å²	134.1	63%	0.629	73%	0.728	S	S	*	*			cis	-168.4	141.3	-8.3	45.8	0	0	0	0	110.7
698	T	34.9	Very low	31.9	Very low	123 Å²	123	133.3 Å²	133.3	76%	0.755	73%	0.728	S	S	*	*			trans	60.9	142.4	146.3	56.7	0	0	0	0	120.3
699	V	32.4	Very low	31.8	Very low	116 Å²	116	131.9 Å²	131.9	70%	0.703	72%	0.722	S	S	*	*			cis	-154.6	138.5	-6.4	-104.2	0	0	0	0	111.6
700	D	30.7	Very low	31.6	Very low	137 Å²	137	129.9 Å²	129.9	73%	0.733	72%	0.72	S	S	*	*				35	143.9	125	-56.3	-36.4	0	0	0	125.8
701	S	30.5	Very low	31.5	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	71%	0.709	S	S	*	*			trans	87.5	125.5	132.1	70	0	0	0	0	122.9
702	C	28	Very low	31.5	Very low	114 Å²	114	121.8 Å²	121.8	77%	0.77	71%	0.711	S	S	*	*			trans	14.7	134.6	136.2	-61.6	0	0	0	0	122.5
703	L	30.4	Very low	31.2	Very low	172 Å²	172	123.3 Å²	123.3	90%	0.901	72%	0.718	S	S	*	*			trans	79.9	116.7	150	-65.2	168.9	0	0	0	120
704	R	32	Very low	31.3	Very low	227 Å²	227	121.7 Å²	121.7	86%	0.857	72%	0.721	S	S	*	*			trans	74.6	108.4	150.2	-167.2	166.1	-164.6	-165.4	0.2	119.7
705	S	27.2	Very low	31.7	Very low	76 Å²	76	121.1 Å²	121.1	53%	0.531	73%	0.73	S	S	.	*			trans	54.6	121.8	134.5	-160.7	0	0	0	0	120.4
706	Q	29.5	Very low	32	Very low	100 Å²	100	124 Å²	124	47%	0.467	74%	0.738	S	S	.	*			trans	67.2	150.6	167.1	-57.6	162.2	58.2	0	0	112.7
707	F	31.1	Very low	32.2	Very low	178 Å²	178	121.6 Å²	121.6	78%	0.781	73%	0.725	S	S	*	*			cis	-106	-172.4	6.6	-78.9	-101.9	0	0	0	109.8
708	A	31.1	Very low	32.3	Very low	83 Å²	83	125.2 Å²	125.2	69%	0.686	74%	0.737	S	S	*	*			cis	54.6	155.3	39.7	0	0	0	0	0	112.4
709	S	31.3	Very low	32.7	Very low	91 Å²	91	123.1 Å²	123.1	64%	0.636	74%	0.74	S	S	*	*			cis	-145.8	157.9	7.6	-134.5	0	0	0	0	109.5
710	T	30.3	Very low	33	Very low	117 Å²	117	124.3 Å²	124.3	72%	0.718	75%	0.748	S	S	*	*				38.8	143.8	102.3	83	0	0	0	0	115.6
711	T	29.1	Very low	33.3	Very low	103 Å²	103	124.7 Å²	124.7	63%	0.632	75%	0.754	S	S	*	*			cis	-165.8	146.7	23.7	-26.2	0	0	0	0	111.8	I713	T711-I713 HydrophobicContact CG2-CD1 3.67Å; T711-I713 HydrophobicContact CG2-CG1 4.15Å
712	S	35.5	Very low	33.7	Very low	111 Å²	111	122.6 Å²	122.6	78%	0.776	75%	0.75	S	S	*	*			trans	165.3	117.6	133	58.9	0	0	0	0	109
713	I	27.9	Very low	34.1	Very low	142 Å²	142	123.1 Å²	123.1	73%	0.728	76%	0.755	S	S	*	*			cis	62.1	123.4	28.9	-48.6	-175.7	0	0	0	110.7	T711	T711-I713 HydrophobicContact CG2-CD1 3.67Å; T711-I713 HydrophobicContact CG2-CG1 4.15Å
714	P	34.4	Very low	34.6	Very low	128 Å²	128	123.2 Å²	123.2	83%	0.831	75%	0.751	S	S	*	*			cis	-134	166.5	29.4	38.9	-21.6	0	0	0	117.8
715	G	37.3	Very low	34.6	Very low	85 Å²	85	119.1 Å²	119.1	88%	0.876	75%	0.746	S	S	*	*			trans	155.9	144.3	163.5	0	0	0	0	0	116.1
716	N	34.9	Very low	34.9	Very low	162 Å²	162	121.8 Å²	121.8	87%	0.866	76%	0.759	S	S	*	*			trans	-138.8	165.9	-179.6	-155.3	29.9	0	0	0	107.4
717	P	40.5	Very low	35	Very low	90 Å²	90	125.3 Å²	125.3	58%	0.584	77%	0.773	S	S	*	*			cis	-132.3	-173	-5.6	43.4	-26	0	0	0	115.4
718	D	39.5	Very low	35	Very low	166 Å²	166	122.8 Å²	122.8	89%	0.888	76%	0.763	S	S	*	*			trans	48.4	126.7	155.1	-60.6	-13.2	0	0	0	123.2
719	G	42.5	Very low	35.1	Very low	79 Å²	79	120.4 Å²	120.4	81%	0.814	74%	0.742	S	S	*	*			trans	165.7	138.9	164.7	0	0	0	0	0	114.8
720	T	38.6	Very low	35.2	Very low	141 Å²	141	121 Å²	121	87%	0.865	74%	0.737	S	S	*	*			trans	-122.4	142.7	-163.6	-48.2	0	0	0	0	114.5
721	V	37.3	Very low	35.9	Very low	144 Å²	144	119.5 Å²	119.5	87%	0.873	75%	0.745	S	S	*	*			trans	162.5	126.1	132.9	156.5	0	0	0	0	111.7
722	G	39.1	Very low	36.8	Very low	65 Å²	65	119.2 Å²	119.2	67%	0.67	75%	0.748	S	S	*	*			trans	117.3	93.9	150.9	0	0	0	0	0	119.5
723	S	37.1	Very low	36.7	Very low	126 Å²	126	118 Å²	118	88%	0.881	74%	0.739	S	S	*	*			trans	56.4	131.1	145.9	-62.8	0	0	0	0	122.4
724	Q	40.4	Very low	36.8	Very low	174 Å²	174	116.3 Å²	116.3	81%	0.813	73%	0.729	S	S	*	*			trans	91.4	116.4	171	-59	-158.1	36.2	0	0	118.5
725	N	32.4	Very low	36.9	Very low	141 Å²	141	117.2 Å²	117.2	75%	0.754	72%	0.719	S	S	*	*			trans	64.8	138.9	137.9	-73.5	-45.1	0	0	0	121.9
726	V	33.7	Very low	36.6	Very low	131 Å²	131	118.9 Å²	118.9	79%	0.794	71%	0.712	S	S	*	*			trans	72.1	90.4	167	-171.7	0	0	0	0	116.9
727	K	31.9	Very low	36.5	Very low	174 Å²	174	122 Å²	122	76%	0.757	71%	0.712	S	S	*	*	S	Bend	trans	71.9	107.2	131.1	-171	-170.5	177.5	-169.6	0	117.9
728	E	30.4	Very low	36.2	Very low	125 Å²	125	128.9 Å²	128.9	58%	0.584	73%	0.726	S	S	*	*			trans	69.6	125.1	171.7	-71.8	176.6	159.9	0	0	113.6	K735	E728-K735 WeakPolarHBondContact OE1-CE 3.43Å; E728-K735 IonicContact OE1-NZ 2.62Å; E728-K735 PolarHBondContact OE1-NZ 2.83Å
729	S	33.5	Very low	35.9	Very low	33 Å²	33	126.9 Å²	126.9	23%	0.231	72%	0.72	C	S	.	*			cis	-163.6	-156.1	-17.7	10.9	0	0	0	0	113.6	G731 S733 E734	S729-G731 VanDerWaalsContact C-N 3.32Å; S729-G731 PolarHBondContact O-N 2.65Å; S729-S733 WeakPolarHBondContact CB-O 3.38Å; S729-E734 WeakPolarHBondContact CA-OE1 3.32Å; S729-E734 VanDerWaalsContact CB-CA 3.44Å; S729-E734 VanDerWaalsContact CB-CB 3.46Å; S729-E734 VanDerWaalsContact CB-OE1 3.31Å; S729-E734 WeakPolarHBondContact CB-OE1 3.42Å; S729-E734 PolarHBondContact N-OE1 3.19Å; S729-E734 VanDerWaalsContact OG-CD 3.27Å; S729-E734 VanDerWaalsContact OG-CG 3.27Å; S729-E734 WeakPolarHBondContact OG-CG 3.41Å; S729-E734 PolarHBondContact OG-OE1 2.99Å
730	D	31.7	Very low	35.4	Very low	103 Å²	103	131.6 Å²	131.6	55%	0.551	72%	0.721	S	S	*	*	S	Bend	trans	7.2	51	-179.1	-97.5	-44.8	0	0	0	121.4	S732 S733 E734	D730-S732 VanDerWaalsContact C-N 3.31Å; D730-S732 VanDerWaalsContact CA-C 3.48Å; D730-S732 VanDerWaalsContact CA-N 3.28Å; D730-S732 PolarHBondContact N-O 3.06Å; D730-S732 WeakPolarHBondContact OD1-CA 3.43Å; D730-S733 PolarHBondContact OD1-N 3.21Å; D730-S733 WeakPolarHBondContact OD2-CA 2.89Å; D730-S733 PolarHBondContact OD2-N 2.93Å; D730-S733 VanDerWaalsContact OD2-N 3.09Å; D730-E734 HydrophobicContact CB-CB 3.53Å; D730-E734 VanDerWaalsContact N-N 3.11Å; D730-E734 PolarHBondContact OD2-N 2.9Å
731	G	45.8	Very low	35	Very low	86 Å²	86	135.8 Å²	135.8	89%	0.887	72%	0.721	S	S	*	*	S	Bend		-74.7	-28.1	110.8	0	0	0	0	0	112.1	S729	S729-G731 VanDerWaalsContact C-N 3.32Å; S729-G731 PolarHBondContact O-N 2.65Å
732	S	47.5	Very low	34.8	Very low	97 Å²	97	135.2 Å²	135.2	68%	0.678	72%	0.717	S	S	*	*	S	Bend	trans	-150.4	124.6	151.2	-164.3	0	0	0	0	110.7	D730	D730-S732 VanDerWaalsContact C-N 3.31Å; D730-S732 VanDerWaalsContact CA-C 3.48Å; D730-S732 VanDerWaalsContact CA-N 3.28Å; D730-S732 PolarHBondContact N-O 3.06Å; D730-S732 WeakPolarHBondContact OD1-CA 3.43Å
733	S	34.4	Very low	34.6	Very low	86 Å²	86	136.3 Å²	136.3	60%	0.601	71%	0.714	S	S	*	*			trans	77.1	58.9	173.8	66.5	0	0	0	0	122.8	S729 D730	S729-S733 WeakPolarHBondContact CB-O 3.38Å; D730-S733 PolarHBondContact OD1-N 3.21Å; D730-S733 WeakPolarHBondContact OD2-CA 2.89Å; D730-S733 PolarHBondContact OD2-N 2.93Å; D730-S733 VanDerWaalsContact OD2-N 3.09Å
734	E	30.4	Very low	34.2	Very low	107 Å²	107	138.6 Å²	138.6	50%	0.5	71%	0.711	S	S	.	*			trans	-113.3	110.6	169.3	-154.6	140.9	-104	0	0	109.6	S729 D730	S729-E734 WeakPolarHBondContact CA-OE1 3.32Å; S729-E734 VanDerWaalsContact CB-CA 3.44Å; S729-E734 VanDerWaalsContact CB-CB 3.46Å; S729-E734 VanDerWaalsContact CB-OE1 3.31Å; S729-E734 WeakPolarHBondContact CB-OE1 3.42Å; S729-E734 PolarHBondContact N-OE1 3.19Å; S729-E734 VanDerWaalsContact OG-CD 3.27Å; S729-E734 VanDerWaalsContact OG-CG 3.27Å; S729-E734 WeakPolarHBondContact OG-CG 3.41Å; S729-E734 PolarHBondContact OG-OE1 2.99Å; D730-E734 HydrophobicContact CB-CB 3.53Å; D730-E734 VanDerWaalsContact N-N 3.11Å; D730-E734 PolarHBondContact OD2-N 2.9Å
735	K	36.7	Very low	33.7	Very low	146 Å²	146	135.7 Å²	135.7	64%	0.635	71%	0.71	S	S	*	*			cis	78.8	32.7	27.3	-143	-169.9	179.4	-173.9	0	116.4	E728 R737	E728-K735 WeakPolarHBondContact OE1-CE 3.43Å; E728-K735 IonicContact OE1-NZ 2.62Å; E728-K735 PolarHBondContact OE1-NZ 2.83Å; K735-R737 PolarHBondContact O-N 2.66Å
736	T	30.6	Very low	33.7	Very low	120 Å²	120	135 Å²	135	74%	0.736	72%	0.716	S	S	*	*			trans	-65.6	120.6	150.7	-74.5	0	0	0	0	110.9
737	R	32.5	Very low	33.7	Very low	227 Å²	227	133.9 Å²	133.9	86%	0.857	71%	0.714	S	S	*	*			trans	85.3	137.2	160.3	-74.5	171.5	-179.1	-155.9	-2.5	122	K735	K735-R737 PolarHBondContact O-N 2.66Å
738	R	33.4	Very low	33.7	Very low	235 Å²	235	135.8 Å²	135.8	89%	0.887	72%	0.717	S	S	*	*			trans	66.9	111.2	168.2	-71.1	-175.2	168.8	163.1	-2.7	116.8
739	V	33.2	Very low	33.8	Very low	125 Å²	125	133.9 Å²	133.9	76%	0.758	72%	0.717	S	S	*	*			cis	79.7	103.9	36.9	-172.9	0	0	0	0	113.8
740	H	32.8	Very low	33.7	Very low	178 Å²	178	139.3 Å²	139.3	82%	0.824	74%	0.743	S	S	*	*			trans	69	133.3	151.8	-81.6	-126	0	0	0	122.6
741	R	29.3	Very low	33.9	Very low	229 Å²	229	140.5 Å²	140.5	86%	0.864	75%	0.754	S	S	*	*			trans	-50.5	153.4	156.4	-53	161.9	176	163.9	-4.3	110.9
742	V	34.6	Very low	33.3	Very low	131 Å²	131	142 Å²	142	79%	0.794	75%	0.748	S	S	*	*				-178.5	136.5	99	152	0	0	0	0	111.1
743	S	33.1	Very low	32.6	Very low	88 Å²	88	143.4 Å²	143.4	62%	0.615	75%	0.752	S	S	*	*			trans	48.4	111.8	158.9	-65.3	0	0	0	0	124.2
744	Q	29.3	Very low	32.5	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	76%	0.759	S	S	*	*				73	130.2	119.8	-60.9	-176.7	22	0	0	122.9
745	S	29.6	Very low	32.5	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	77%	0.769	S	S	*	*			trans	99.1	134.5	144.4	80.4	0	0	0	0	120.6
746	S	33.9	Very low	32.3	Very low	127 Å²	127	144.3 Å²	144.3	89%	0.888	77%	0.774	S	S	*	*			trans	66.8	162.5	158.7	-63.3	0	0	0	0	119.8
747	S	32.9	Very low	32.4	Very low	107 Å²	107	143.4 Å²	143.4	75%	0.748	77%	0.773	S	S	*	*			trans	-140.1	172.4	-165.4	60.1	0	0	0	0	111.8
748	R	32.3	Very low	32.6	Very low	215 Å²	215	137.2 Å²	137.2	81%	0.811	76%	0.764	S	S	*	*			trans	80.7	145.7	-167.7	-52.7	174	76	176.4	3.4	112.7
749	S	32.6	Very low	32.6	Very low	85 Å²	85	132.3 Å²	132.3	59%	0.594	76%	0.761	S	S	*	*			cis	-165.5	147.6	-17.5	42.3	0	0	0	0	110.7
750	D	31.3	Very low	32.7	Very low	146 Å²	146	132.8 Å²	132.8	78%	0.781	76%	0.763	S	S	*	*			trans	51.2	109.4	148.2	-50.3	-33.5	0	0	0	120.9
751	V	35.1	Very low	32.7	Very low	129 Å²	129	130.2 Å²	130.2	78%	0.782	76%	0.76	S	S	*	*			trans	33.3	110.5	135.1	-169.8	0	0	0	0	118.8
752	P	33.5	Very low	32.8	Very low	117 Å²	117	124.6 Å²	124.6	76%	0.76	76%	0.756	S	S	*	*			trans	-102.7	132.4	144.6	33.6	-27.4	0	0	0	111.5
753	V	33.3	Very low	32.6	Very low	126 Å²	126	123.2 Å²	123.2	76%	0.764	75%	0.752	S	S	*	*			trans	-69.6	129.1	157.5	166.5	0	0	0	0	107.8
754	V	31.7	Very low	32.5	Very low	122 Å²	122	126.2 Å²	126.2	74%	0.739	76%	0.761	S	S	*	*	S	Bend	trans	44.5	107.5	159.3	-180	0	0	0	0	116.9
755	T	29.9	Very low	32.6	Very low	116 Å²	116	123.2 Å²	123.2	71%	0.712	76%	0.76	S	S	*	*			trans	89.3	146.7	151.6	-58.5	0	0	0	0	119.4
756	T	33.1	Very low	33	Very low	121 Å²	121	123.6 Å²	123.6	74%	0.742	76%	0.76	S	S	*	*			trans	72.5	98.3	166.9	34.2	0	0	0	0	121.9
757	S	33.7	Very low	33	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	75%	0.75	S	S	*	*				76.4	95.8	114.9	-53.8	0	0	0	0	124
758	S	35.8	Very low	33.2	Very low	96 Å²	96	123.9 Å²	123.9	67%	0.671	75%	0.746	S	S	*	*				57.7	115.9	118.3	65.2	0	0	0	0	124.7
759	T	32.9	Very low	33.3	Very low	133 Å²	133	124.3 Å²	124.3	82%	0.816	75%	0.747	S	S	*	*			trans	62.3	155.8	138.5	57.4	0	0	0	0	119.2
760	V	36.4	Very low	33.5	Very low	135 Å²	135	126.3 Å²	126.3	82%	0.818	76%	0.756	S	S	*	*			cis	-143.1	-174.8	33.7	178.3	0	0	0	0	111.2
761	T	31.6	Very low	33.8	Very low	123 Å²	123	125 Å²	125	76%	0.755	75%	0.753	S	S	*	*			trans	-83.5	148.9	-166.2	48.1	0	0	0	0	118.6
762	S	32.1	Very low	33.5	Very low	112 Å²	112	126.7 Å²	126.7	78%	0.783	75%	0.746	S	S	*	*				167.1	143.2	122.3	48.1	0	0	0	0	117.3
763	S	29.8	Very low	33.4	Very low	101 Å²	101	126.1 Å²	126.1	71%	0.706	74%	0.74	S	S	*	*			trans	50.5	126	152.5	60	0	0	0	0	125.9
764	N	30.9	Very low	33.6	Very low	151 Å²	151	124.7 Å²	124.7	81%	0.807	73%	0.733	S	S	*	*			trans	70.1	127.3	137.7	-69.2	-12.7	0	0	0	124.9
765	S	31.3	Very low	33.9	Very low	113 Å²	113	121.6 Å²	121.6	79%	0.79	73%	0.726	S	S	*	*			trans	75.5	172.4	148.5	-52.3	0	0	0	0	117.2
766	P	38.8	Very low	34.3	Very low	120 Å²	120	124.9 Å²	124.9	78%	0.779	74%	0.738	S	S	*	*				-136.5	175.1	-101.2	34.8	-12.1	0	0	0	118.5
767	S	34.7	Very low	34.5	Very low	97 Å²	97	127 Å²	127	68%	0.678	74%	0.742	S	S	*	*			trans	94.9	129	145.7	-135	0	0	0	0	121.5
768	Q	36.3	Very low	34.7	Very low	142 Å²	142	127.6 Å²	127.6	66%	0.664	74%	0.737	S	S	*	*			trans	67.1	152.8	161.8	-51.5	-168.5	28.7	0	0	118.1
769	R	33.9	Very low	34.5	Very low	225 Å²	225	129.9 Å²	129.9	85%	0.849	74%	0.74	S	S	*	*			cis	-156.9	155.8	13.3	-147.7	175.9	-169.1	-160.5	3.6	110.9
770	T	36.9	Very low	34.5	Very low	126 Å²	126	130 Å²	130	77%	0.773	73%	0.729	S	S	*	*			trans	-130.2	120.5	-177.5	15.6	0	0	0	0	116.2
771	T	37.5	Very low	34.3	Very low	118 Å²	118	128.2 Å²	128.2	72%	0.724	72%	0.719	S	S	*	*				37.8	142.4	129.7	58.7	0	0	0	0	123.7
772	R	30.4	Very low	34.3	Very low	165 Å²	165	126.1 Å²	126.1	62%	0.623	71%	0.709	S	S	*	*			trans	-149.3	119.6	151.1	-83.9	-148.8	153.1	162.3	1.9	115.8	V1802 V1803 S1805	R772-V1802 PolarHBondContact NH1-O 3.27Å; R772-V1803 WeakPolarHBondContact CD-O 3.37Å; R772-V1803 PolarHBondContact NH1-O 2.97Å; R772-S1805 VanDerWaalsContact CA-CB 3.44Å; R772-S1805 VanDerWaalsContact CA-OG 3.31Å; R772-S1805 WeakPolarHBondContact CA-OG 3.44Å; R772-S1805 VanDerWaalsContact CG-CB 3.46Å
773	V	29.7	Very low	34.3	Very low	106 Å²	106	125 Å²	125	64%	0.642	70%	0.7	S	S	*	*			trans	-155.6	160	159.7	-106.8	0	0	0	0	112.3	S1805 V1806	V773-S1805 PolarHBondContact N-OG 2.8Å; V773-S1805 CarbonylContact O-C 2.96Å; V773-S1805 WeakPolarHBondContact O-CA 3.4Å; V773-S1805 VanDerWaalsContact O-CB 3.3Å; V773-S1805 WeakPolarHBondContact O-CB 3.49Å; V773-S1805 PolarHBondContact O-OG 2.95Å; V773-V1806 PolarHBondContact O-N 2.78Å
774	P	37.5	Very low	34.4	Very low	96 Å²	96	122.9 Å²	122.9	62%	0.623	69%	0.689	S	S	*	*			trans	-88.3	-179.9	-149	38.3	-41.1	0	0	0	116.4	V1806	P774-V1806 VanDerWaalsContact O-CG1 3.25Å; P774-V1806 WeakPolarHBondContact O-CG1 3.4Å
775	G	37.9	Very low	34.6	Very low	57 Å²	57	118.1 Å²	118.1	59%	0.588	67%	0.667	S	S	*	*			trans	-144.8	-165.7	-179.7	0	0	0	0	0	115.4
776	L	39.4	Very low	34.7	Very low	184 Å²	184	116 Å²	116	96%	0.963	65%	0.653	S	S	*	*			trans	-139.7	163.4	173.1	-94	163	0	0	0	109.4
777	M	37.9	Very low	34.4	Very low	166 Å²	166	115.5 Å²	115.5	82%	0.818	64%	0.64	S	S	*	*			trans	-116	171.3	-170.3	-99.9	147.9	54.8	0	0	112.6
778	D	36.7	Very low	34.3	Very low	113 Å²	113	116.5 Å²	116.5	60%	0.604	63%	0.633	S	S	*	*			cis	-104.5	-125.6	3.5	-153.9	-130	0	0	0	111.5	K780	D778-K780 PolarHBondContact OD1-N 2.94Å
779	I	33	Very low	34	Very low	144 Å²	144	115.9 Å²	115.9	74%	0.738	63%	0.634	S	S	*	*			cis	-130.8	142.4	-1.7	-39.2	173.1	0	0	0	111.5
780	K	32	Very low	33.8	Very low	136 Å²	136	109.2 Å²	109.2	59%	0.591	63%	0.627	S	S	*	*			trans	-37.6	162.1	154.7	-132.6	175.8	-172.6	175.7	0	113.9	D778 I1842	D778-K780 PolarHBondContact OD1-N 2.94Å; K780-I1842 HydrophobicContact CD-CD1 3.48Å; K780-I1842 VanDerWaalsContact CD-CD1 3.48Å
781	V	31.8	Very low	33.5	Very low	98 Å²	98	111.6 Å²	111.6	59%	0.594	63%	0.629	S	S	*	*			cis	-160.1	175.1	32.6	-157.4	0	0	0	0	111.8
782	S	32.8	Very low	33.2	Very low	78 Å²	78	112.5 Å²	112.5	55%	0.545	63%	0.629	S	S	.	*			trans	114.6	131.2	147.3	-62.8	0	0	0	0	117
783	C	31.5	Very low	33.2	Very low	88 Å²	88	113.4 Å²	113.4	60%	0.595	63%	0.632	S	S	*	*			cis	72.4	135.5	49	-56.8	0	0	0	0	112.7
784	A	32.6	Very low	33.5	Very low	57 Å²	57	111.2 Å²	111.2	47%	0.471	62%	0.617	S	S	.	*			cis	-161.9	-168.8	-13.9	0	0	0	0	0	108	S1813	A784-S1813 CarbonylContact C-O 3.58Å
785	S	33.5	Very low	33.5	Very low	51 Å²	51	113.8 Å²	113.8	36%	0.357	62%	0.618	S	S	.	*			cis	-159.6	165	6.2	-171.7	0	0	0	0	113.2	S1813 S1815 T1816	S785-S1813 PolarHBondContact N-O 2.83Å; S785-S1815 PolarHBondContact OG-N 3.36Å; S785-S1815 PolarHBondContact OG-OG 2.89Å; S785-T1816 WeakPolarHBondContact OG-CG2 3.44Å
786	S	33.5	Very low	33.5	Very low	69 Å²	69	115.1 Å²	115.1	48%	0.483	61%	0.609	S	S	.	*			trans	117.6	78	140.2	-48.6	0	0	0	0	126.4	P1814 S1815 T1816	S786-P1814 VanDerWaalsContact N-CA 3.31Å; S786-S1815 CarbonylContact C-O 3.49Å; S786-S1815 WeakPolarHBondContact CA-O 3.49Å; S786-S1815 PolarHBondContact N-O 2.74Å; S786-T1816 WeakPolarHBondContact CA-OG1 3.19Å; S786-T1816 WeakPolarHBondContact CB-OG1 3.22Å; S786-T1816 VanDerWaalsContact OG-CG2 3.22Å; S786-T1816 WeakPolarHBondContact OG-CG2 3.49Å; S786-T1816 PolarHBondContact OG-OG1 2.92Å
787	Q	33.5	Very low	33.3	Very low	109 Å²	109	112.3 Å²	112.3	51%	0.509	60%	0.595	S	S	.	*			trans	-20.5	155.4	149.3	-88.7	167.2	-113	0	0	121	S1815 T1816 T1817	Q787-S1815 WeakPolarHBondContact CA-O 3.45Å; Q787-S1815 WeakPolarHBondContact CB-O 3.48Å; Q787-S1815 WeakPolarHBondContact CG-O 3.44Å; Q787-S1815 PolarHBondContact N-O 3.03Å; Q787-S1815 VanDerWaalsContact OE1-C 3.23Å; Q787-S1815 PolarHBondContact OE1-O 2.9Å; Q787-T1816 WeakPolarHBondContact CB-O 3.45Å; Q787-T1816 PolarHBondContact NE2-O 2.95Å; Q787-T1816 PolarHBondContact OE1-O 2.88Å; Q787-T1817 PolarHBondContact NE2-O 3.42Å
788	H	33.2	Very low	33.3	Very low	118 Å²	118	112 Å²	112	55%	0.546	59%	0.592	S	S	.	*				-156.1	-162.7	108.6	-156.1	-129.7	0	0	0	113.6	F1818	H788-F1818 AromaticContact CD2-CD2 3.73Å; H788-F1818 AromaticContact CE1-CD2 3.96Å; H788-F1818 AromaticContact NE2-CD2 3.46Å; H788-F1818 WeakPolarHBondContact NE2-CD2 3.38Å; H788-F1818 AromaticContact NE2-CG 3.92Å
789	L	29.7	Very low	33.2	Very low	130 Å²	130	113.3 Å²	113.3	68%	0.681	60%	0.597	S	S	*	*			trans	-95	140.6	-151.5	-83.7	174.1	0	0	0	119.2
790	A	28.1	Very low	33.3	Very low	84 Å²	84	113.4 Å²	113.4	69%	0.694	60%	0.599	S	S	*	*			trans	78.7	155.4	136	0	0	0	0	0	122.9
791	H	31.2	Very low	33.4	Very low	177 Å²	177	114.9 Å²	114.9	82%	0.819	61%	0.608	S	S	*	*			trans	82.5	147.5	172.5	-77.5	-91.2	0	0	0	120.9
792	L	32.1	Very low	33.9	Very low	137 Å²	137	115 Å²	115	72%	0.717	61%	0.611	S	S	*	*			trans	52	102.8	170.4	-88.9	57.4	0	0	0	118
793	W	30.8	Very low	34	Very low	183 Å²	183	116 Å²	116	69%	0.693	61%	0.613	S	S	*	*				74.8	125.2	83.3	-77.6	30.8	0	0	0	115.2	S1789	W793-S1789 VanDerWaalsContact CZ3-O 3.28Å; W793-S1789 WeakPolarHBondContact CZ3-O 2.46Å
794	D	34.3	Very low	34	Very low	61 Å²	61	115 Å²	115	33%	0.326	61%	0.608	S	S	.	*			trans	91.7	142.5	137	-78.1	-35	0	0	0	125.2	T1790	D794-T1790 HydrophobicContact CB-CG2 4.14Å; D794-T1790 VanDerWaalsContact CG-CB 3.4Å; D794-T1790 WeakPolarHBondContact OD1-CB 2.45Å; D794-T1790 WeakPolarHBondContact OD1-CG2 2.46Å; D794-T1790 WeakPolarHBondContact OD2-CB 2.45Å; D794-T1790 WeakPolarHBondContact OD2-CG2 3.33Å; D794-T1790 PolarHBondContact OD2-OG1 3.12Å
795	K	37.7	Very low	34.1	Very low	149 Å²	149	120.4 Å²	120.4	65%	0.648	62%	0.616	S	S	*	*			trans	69.1	164.5	157.7	-71	163.2	-177	176.7	0	119.5	T1790 L1791	K795-T1790 HydrophobicContact CG-CG2 4.43Å; K795-L1791 HydrophobicContact CG-CD1 3.61Å
796	E	38.3	Very low	33.9	Very low	86 Å²	86	120.2 Å²	120.2	40%	0.402	62%	0.622	S	S	.	*				-167.4	143.8	-69.7	-119.8	-166.7	-177.5	0	0	107.6	L1791 L1792	E796-L1791 HydrophobicContact CB-CD1 4.15Å; E796-L1791 VanDerWaalsContact CD-CD1 3.4Å; E796-L1791 HydrophobicContact CG-CB 4.28Å; E796-L1791 HydrophobicContact CG-CD1 3.91Å; E796-L1791 HydrophobicContact CG-CG 4.5Å; E796-L1791 WeakPolarHBondContact OE1-CD2 2.46Å; E796-L1791 WeakPolarHBondContact OE2-CD1 2.46Å; E796-L1791 WeakPolarHBondContact OE2-CD2 3.21Å; E796-L1792 HydrophobicContact CB-CD2 4.34Å; E796-L1792 HydrophobicContact CG-CD2 3.28Å; E796-L1792 HydrophobicContact CG-CG 3.87Å
797	D	35.9	Very low	33.7	Very low	125 Å²	125	126.1 Å²	126.1	67%	0.668	64%	0.639	S	S	*	*			trans	53.5	150.3	168.9	-56.9	-10.4	0	0	0	116.6
798	H	37.3	Very low	33.5	Very low	160 Å²	160	132.1 Å²	132.1	74%	0.741	66%	0.657	S	S	*	*			cis	-148.1	166.2	28.8	-62.2	-83.3	0	0	0	108.2
799	L	34.7	Very low	33.5	Very low	139 Å²	139	128.7 Å²	128.7	73%	0.728	65%	0.654	S	S	*	*			cis	-166.2	-176	-9.3	-115.3	173.1	0	0	0	109.4
800	L	36	Very low	33.8	Very low	146 Å²	146	129 Å²	129	76%	0.764	65%	0.646	S	S	*	*			trans	51.3	86.9	153.3	-65.5	168.7	0	0	0	120
801	E	33.5	Very low	34	Very low	167 Å²	167	127.1 Å²	127.1	78%	0.78	64%	0.635	S	S	*	*				15.8	155.5	120.5	-77.3	-159.4	138	0	0	122.3
802	P	42.9	Very low	33.9	Very low	102 Å²	102	125.2 Å²	125.2	66%	0.662	62%	0.624	S	S	*	*			cis	-140.7	-147.3	-46.2	36.6	-15.1	0	0	0	112.2
803	V	33.4	Very low	33.7	Very low	97 Å²	97	123.2 Å²	123.2	59%	0.588	62%	0.621	S	S	*	*			trans	97.7	76.7	161.1	-171.1	0	0	0	0	118.1	Q1799 G1800	V803-Q1799 VanDerWaalsContact CA-O 3.3Å; V803-Q1799 WeakPolarHBondContact CA-O 3.49Å; V803-Q1799 WeakPolarHBondContact CG1-O 3.03Å; V803-G1800 VanDerWaalsContact CG1-O 3.29Å; V803-G1800 WeakPolarHBondContact CG1-O 3.46Å
804	S	31.9	Very low	33.7	Very low	69 Å²	69	121.4 Å²	121.4	48%	0.483	62%	0.624	S	S	.	*			trans	-111.3	-97.5	-170.2	59.2	0	0	0	0	118.9	Q1799 G1800 T1801	S804-Q1799 VanDerWaalsContact N-C 3.31Å; S804-G1800 VanDerWaalsContact C-CA 3.47Å; S804-G1800 CarbonylContact O-C 3.51Å; S804-G1800 WeakPolarHBondContact O-CA 3.4Å; S804-T1801 PolarHBondContact O-N 2.82Å
805	R	34	Very low	33.6	Very low	169 Å²	169	125 Å²	125	64%	0.638	64%	0.642	S	S	*	*			trans	167	150.6	164.1	-106.7	179.8	-170.7	-164.5	0.5	108.9	V1798 Q1799	R805-V1798 WeakPolarHBondContact O-CG1 3.22Å; R805-Q1799 HydrophobicContact CG-CG 4.46Å
806	G	31	Very low	33.2	Very low	47 Å²	47	121.7 Å²	121.7	49%	0.485	64%	0.638	S	S	.	*			trans	-122.6	153.9	-170.2	0	0	0	0	0	115.6
807	F	29.1	Very low	32.9	Very low	193 Å²	193	124.5 Å²	124.5	85%	0.846	65%	0.646	S	S	*	*			trans	-153	142.6	162.8	-97.8	-64.5	0	0	0	112.2
808	R	29.3	Very low	32.8	Very low	235 Å²	235	125.6 Å²	125.6	89%	0.887	65%	0.645	S	S	*	*			trans	43.1	119.9	157	-59.5	179.7	-173.1	-101.4	0.9	119.5
809	G	33	Very low	32.9	Very low	46 Å²	46	120.1 Å²	120.1	47%	0.474	62%	0.623	S	S	.	*			trans	-178.1	107.2	155.3	0	0	0	0	0	118.7	Y23	Y23-G809 VanDerWaalsContact OH-CA 3.25Å; Y23-G809 WeakPolarHBondContact OH-CA 3.44Å
810	R	35.1	Very low	32.9	Very low	136 Å²	136	119.2 Å²	119.2	51%	0.513	62%	0.615	S	S	.	*			trans	51.6	-169.2	158.2	-61.6	-179.2	173.5	150.9	-8.4	116	Y23	Y23-R810 HydrophobicContact CD2-CB 4.04Å; Y23-R810 HydrophobicContact CD2-CG 4.31Å; Y23-R810 HydrophobicContact CE2-CB 3.65Å; Y23-R810 HydrophobicContact CE2-CG 4.03Å; Y23-R810 VanDerWaalsContact CG-NH1 3.26Å; Y23-R810 VanDerWaalsContact O-CZ 3.31Å; Y23-R810 PolarHBondContact O-NH1 2.73Å
811	G	32.9	Very low	32.5	Very low	45 Å²	45	121.9 Å²	121.9	46%	0.464	62%	0.615	S	S	.	*			trans	-170.9	-162.6	-174.2	0	0	0	0	0	111.6
812	K	29.5	Very low	32.6	Very low	138 Å²	138	117.1 Å²	117.1	60%	0.6	61%	0.611	S	S	*	*			trans	67.9	80.4	-179.6	-67.1	178.9	171.8	173.1	0	116.4	N26	N26-K812 PolarHBondContact O-NZ 2.78Å
813	S	27.5	Very low	32.3	Very low	94 Å²	94	117.5 Å²	117.5	66%	0.657	62%	0.616	S	S	*	*				80.7	166.4	120.9	-154.5	0	0	0	0	119.7
814	L	30.9	Very low	32.4	Very low	145 Å²	145	117.4 Å²	117.4	76%	0.759	63%	0.625	S	S	*	*			trans	74	141.3	171.9	-46	-175.9	0	0	0	114.9
815	I	32.2	Very low	32.5	Very low	137 Å²	137	124.1 Å²	124.1	70%	0.703	65%	0.646	S	S	*	*			cis	-152.8	159.8	-7.7	-129.3	166	0	0	0	113.5
816	S	28.1	Very low	32.5	Very low	79 Å²	79	119 Å²	119	55%	0.552	65%	0.646	S	S	*	*			trans	-4.8	149.2	155.9	-48.9	0	0	0	0	120.2
817	Y	33.3	Very low	32.6	Very low	145 Å²	145	128.1 Å²	128.1	57%	0.569	67%	0.665	S	S	*	*				-164.3	155.4	64.8	-113	-83.9	0	0	0	116.9	W1692 S1693	Y817-W1692 CarbonylContact C-O 3.3Å; Y817-W1692 PolarHBondContact N-O 3.39Å; Y817-W1692 CarbonylContact O-C 3.27Å; Y817-S1693 PolarHBondContact O-OG 3.28Å
818	K	33.6	Very low	32.7	Very low	149 Å²	149	121.9 Å²	121.9	65%	0.648	66%	0.655	S	S	*	*			trans	-51.9	167	163.6	-86.4	-178	178.9	-178.9	0	112.6	T1691	K818-T1691 CarbonylContact O-C 3.37Å; K818-T1691 VanDerWaalsContact O-C 3.27Å; K818-T1691 WeakPolarHBondContact O-CA 3.18Å
819	P	38.2	Very low	32.7	Very low	45 Å²	45	116.2 Å²	116.2	29%	0.292	65%	0.647	S	S	.	*			cis	-147.9	146.8	33.5	50.1	-28.7	0	0	0	118.4	R1690	P819-R1690 WeakPolarHBondContact CD-O 3.45Å; P819-R1690 VanDerWaalsContact CG-O 3.3Å; P819-R1690 WeakPolarHBondContact CG-O 3.46Å
820	Q	35.1	Very low	32.8	Very low	120 Å²	120	118.1 Å²	118.1	56%	0.561	65%	0.654	S	S	*	*				61.2	133.3	109.6	-150.6	152.5	-59.9	0	0	122.1	K9	K9-Q820 PolarHBondContact NZ-O 2.88Å
821	R	28.6	Very low	32.7	Very low	202 Å²	202	119.9 Å²	119.9	76%	0.762	67%	0.665	S	S	*	*			trans	72.3	157.4	150.9	-78.1	172.6	-167.6	-162.1	0.3	120.1	K9	K9-R821 VanDerWaalsContact CE-O 3.31Å; K9-R821 WeakPolarHBondContact CE-O 3.49Å; K9-R821 PolarHBondContact NZ-O 2.62Å
822	G	35.2	Very low	32.7	Very low	66 Å²	66	121.8 Å²	121.8	68%	0.68	67%	0.671	S	S	*	*			trans	79.3	80.8	-156.5	0	0	0	0	0	108.8
823	S	36	Very low	32.8	Very low	111 Å²	111	123 Å²	123	78%	0.776	68%	0.678	S	S	*	*				64.4	115.9	64.5	-49.6	0	0	0	0	110.7
824	A	35.8	Very low	33.2	Very low	94 Å²	94	124.6 Å²	124.6	78%	0.777	68%	0.679	S	S	*	*			cis	69.1	131.8	50	0	0	0	0	0	111.6
825	K	35.2	Very low	33.2	Very low	211 Å²	211	123.2 Å²	123.2	92%	0.917	67%	0.672	S	S	*	*			cis	-128.2	169.4	7	-73.2	163.6	178	170.5	0	108.6
826	G	33.8	Very low	33.2	Very low	62 Å²	62	122.9 Å²	122.9	64%	0.639	67%	0.667	S	S	*	*			cis	120.6	168.1	13.7	0	0	0	0	0	110.7
827	R	32.7	Very low	33.3	Very low	237 Å²	237	123.1 Å²	123.1	89%	0.894	67%	0.674	S	S	*	*			trans	74.3	130.4	-157.2	-50.9	178.5	-179.5	-162.3	-1	110.9
828	G	30.4	Very low	33.3	Very low	62 Å²	62	121 Å²	121	64%	0.639	68%	0.676	S	S	*	*			cis	79.9	-174.2	3.6	0	0	0	0	0	113.3
829	T	30	Very low	33.2	Very low	116 Å²	116	120.9 Å²	120.9	71%	0.712	69%	0.688	S	S	*	*			trans	67.1	161	-155.9	81.9	0	0	0	0	110.1
830	S	34.5	Very low	33	Very low	87 Å²	87	120.6 Å²	120.6	61%	0.608	69%	0.693	S	S	*	*			cis	-156.5	157.7	40.3	-103.4	0	0	0	0	107.1
831	K	33.7	Very low	32.9	Very low	173 Å²	173	119.3 Å²	119.3	75%	0.752	69%	0.69	S	S	*	*			cis	167.6	-174.2	7.9	-114.4	177.5	-164.2	175.6	0	103.4
832	S	32.1	Very low	33	Very low	84 Å²	84	114.1 Å²	114.1	59%	0.587	68%	0.677	S	S	*	*			cis	-165.1	157.1	-4.9	29.2	0	0	0	0	107.7
833	H	32.9	Very low	32.9	Very low	163 Å²	163	119.4 Å²	119.4	76%	0.755	68%	0.681	S	S	*	*			trans	44.6	155.6	133.6	-61.7	-136.1	0	0	0	120.4
834	L	34.5	Very low	32.7	Very low	128 Å²	128	116.2 Å²	116.2	67%	0.67	66%	0.659	S	S	*	*				-162.7	163	111.9	-95.1	172.3	0	0	0	105.9	E836	L834-E836 HydrophobicContact CD2-CB 3.88Å; L834-E836 HydrophobicContact CD2-CG 3.68Å; L834-E836 WeakPolarHBondContact CD2-OE2 3.06Å
835	L	32.3	Very low	32.5	Very low	116 Å²	116	118.3 Å²	118.3	61%	0.607	65%	0.654	S	S	*	*			cis	-95.4	166.8	3.1	-83.8	85.3	0	0	0	111.1
836	E	31.6	Very low	32.3	Very low	131 Å²	131	111.8 Å²	111.8	61%	0.612	63%	0.63	S	S	*	*				57.6	150.6	51	-89.5	176	155.1	0	0	111.6	L834	L834-E836 HydrophobicContact CD2-CB 3.88Å; L834-E836 HydrophobicContact CD2-CG 3.68Å; L834-E836 WeakPolarHBondContact CD2-OE2 3.06Å
837	A	30.4	Very low	32.4	Very low	84 Å²	84	114 Å²	114	69%	0.694	63%	0.626	S	S	*	*			cis	-149.8	149	26.1	0	0	0	0	0	109.8
838	V	32.3	Very low	32.4	Very low	100 Å²	100	110.2 Å²	110.2	61%	0.606	61%	0.612	S	S	*	*			cis	-145.7	155.8	-7.8	-172.5	0	0	0	0	106.8	G840	V838-G840 WeakPolarHBondContact CB-O 3.5Å; V838-G840 WeakPolarHBondContact CG1-O 2.83Å
839	T	31.3	Very low	32.5	Very low	146 Å²	146	112.8 Å²	112.8	90%	0.896	61%	0.607	S	S	*	*	S	Bend	trans	-83.9	105.6	157.3	40.7	0	0	0	0	109.9
840	G	33.7	Very low	32.7	Very low	40 Å²	40	111.4 Å²	111.4	41%	0.412	60%	0.602	S	S	.	*			trans	100.8	143.8	-175.2	0	0	0	0	0	112.5	V838	V838-G840 WeakPolarHBondContact CB-O 3.5Å; V838-G840 WeakPolarHBondContact CG1-O 2.83Å
841	D	33.6	Very low	32.5	Very low	92 Å²	92	113.8 Å²	113.8	49%	0.492	61%	0.608	S	S	.	*			cis	-170	164.9	21.7	-89.7	-31.7	0	0	0	114.4	I1657 L1658	D841-I1657 WeakPolarHBondContact OD2-CA 3.32Å; D841-I1657 PolarHBondContact OD2-N 2.64Å; D841-L1658 CarbonylContact C-O 3.07Å; D841-L1658 WeakPolarHBondContact CA-O 3.43Å; D841-L1658 VanDerWaalsContact CB-CA 3.47Å; D841-L1658 VanDerWaalsContact CB-N 3.34Å; D841-L1658 WeakPolarHBondContact CB-O 3.18Å
842	L	31.3	Very low	32.2	Very low	93 Å²	93	112.7 Å²	112.7	49%	0.487	61%	0.61	S	S	.	*			trans	87.1	70.4	147.1	-135	-170.3	0	0	0	124.4	L1658	L842-L1658 WeakPolarHBondContact CA-O 3.49Å; L842-L1658 VanDerWaalsContact CG-N 3.34Å; L842-L1658 PolarHBondContact N-O 3.12Å
843	K	33.7	Very low	32.7	Very low	178 Å²	178	113.6 Å²	113.6	77%	0.774	61%	0.614	S	S	*	*				-173.1	157.4	120.2	-122.2	-178.3	178.7	-180	0	116.9	S1659 G1660	K843-S1659 WeakPolarHBondContact CA-O 3.45Å; K843-G1660 VanDerWaalsContact C-CA 3.42Å; K843-G1660 CarbonylContact O-C 3.3Å; K843-G1660 WeakPolarHBondContact O-CA 3.15Å; K843-G1660 VanDerWaalsContact O-O 3.1Å
844	S	30.8	Very low	32.5	Very low	44 Å²	44	111.7 Å²	111.7	31%	0.308	61%	0.605	S	S	.	*			trans	-109.6	130.2	-166.6	-161.1	0	0	0	0	115.7	Q1661	S844-Q1661 CarbonylContact C-O 3.48Å; S844-Q1661 WeakPolarHBondContact CA-O 3.13Å; S844-Q1661 VanDerWaalsContact OG-CB 3.26Å; S844-Q1661 WeakPolarHBondContact OG-CB 3.22Å; S844-Q1661 VanDerWaalsContact OG-CD 3.26Å; S844-Q1661 WeakPolarHBondContact OG-CG 3.18Å; S844-Q1661 PolarHBondContact OG-OE1 3.16Å
845	M	31.8	Very low	32.2	Very low	138 Å²	138	113.2 Å²	113.2	68%	0.68	60%	0.604	S	S	*	*				163.8	133.9	107.9	-79.7	-167.4	85.5	0	0	118	Q1661 T1662	M845-Q1661 PolarHBondContact N-O 2.97Å; M845-T1662 VanDerWaalsContact CA-OG1 3.27Å; M845-T1662 WeakPolarHBondContact CA-OG1 3.31Å
846	D	32.1	Very low	32.2	Very low	74 Å²	74	110.9 Å²	110.9	40%	0.396	60%	0.597	S	S	.	*			trans	111.8	174.4	134.5	-76.6	17	0	0	0	129.3	T1662 N1663	D846-T1662 VanDerWaalsContact N-CB 3.35Å; D846-T1662 PolarHBondContact N-O 2.88Å; D846-T1662 PolarHBondContact N-OG1 3.41Å; D846-T1662 CarbonylContact O-C 3.14Å; D846-T1662 VanDerWaalsContact O-C 3.3Å; D846-T1662 VanDerWaalsContact O-O 3.13Å; D846-T1662 WeakPolarHBondContact OD1-CB 2.87Å; D846-T1662 PolarHBondContact OD1-OG1 2.92Å; D846-N1663 VanDerWaalsContact C-ND2 3.35Å; D846-N1663 VanDerWaalsContact CA-ND2 3.34Å; D846-N1663 WeakPolarHBondContact CA-ND2 3.42Å; D846-N1663 VanDerWaalsContact CG-ND2 3.34Å; D846-N1663 WeakPolarHBondContact O-CB 3.06Å; D846-N1663 PolarHBondContact O-N 3.45Å; D846-N1663 VanDerWaalsContact O-N 3.11Å; D846-N1663 PolarHBondContact OD1-ND2 3.06Å
847	L	35.6	Very low	31.9	Very low	107 Å²	107	108.2 Å²	108.2	56%	0.56	60%	0.597	S	S	*	*			trans	-82.3	152.8	-130.2	-98.8	100	0	0	0	122	N1663	L847-N1663 VanDerWaalsContact CA-ND2 3.33Å; L847-N1663 WeakPolarHBondContact CA-ND2 3.01Å; L847-N1663 WeakPolarHBondContact CD1-ND2 3.49Å; L847-N1663 HydrophobicContact CG-CB 4.43Å; L847-N1663 WeakPolarHBondContact CG-ND2 3.46Å; L847-N1663 PolarHBondContact N-ND2 2.84Å
848	R	32.3	Very low	32.4	Very low	159 Å²	159	111.7 Å²	111.7	60%	0.6	60%	0.604	S	S	*	*			trans	85.5	122.5	141.5	-76.6	167.9	174.5	-101.4	1	119.8
849	E	32.5	Very low	32.7	Very low	116 Å²	116	114 Å²	114	54%	0.542	61%	0.613	S	S	.	*				95.6	149.7	88.8	-79.4	171.2	158.3	0	0	112.7	P1665	E849-P1665 HydrophobicContact CG-CG 4.35Å
850	S	33.2	Very low	33.2	Very low	87 Å²	87	116.4 Å²	116.4	61%	0.608	61%	0.607	S	S	*	*			cis	-172.4	157.8	-24	55.9	0	0	0	0	111.5
851	N	30.3	Very low	33.5	Very low	137 Å²	137	119.8 Å²	119.8	73%	0.733	62%	0.616	S	S	*	*			trans	66.2	109.1	141.5	-67.2	7.9	0	0	0	122.2
852	D	28.2	Very low	33.4	Very low	149 Å²	149	121.6 Å²	121.6	80%	0.797	63%	0.63	S	S	*	*				77.1	159.5	112.9	-78	6	0	0	0	123.4
853	P	42	Very low	33.4	Very low	104 Å²	104	121.8 Å²	121.8	68%	0.675	64%	0.639	S	S	*	*			trans	-143	-148.4	-142.8	43.6	-21.2	0	0	0	114.6
854	H	29.9	Very low	33.4	Very low	122 Å²	122	119.5 Å²	119.5	57%	0.565	63%	0.631	S	S	*	*			trans	96.4	135.7	145.7	-116.3	-63.5	0	0	0	120.7
855	Y	27.5	Very low	33.6	Very low	161 Å²	161	126.7 Å²	126.7	63%	0.631	65%	0.651	S	S	*	*			trans	55.9	132.5	178.7	-59.5	-72.2	0	0	0	120.3	W1726	Y855-W1726 VanDerWaalsContact N-CH2 3.32Å; Y855-W1726 VanDerWaalsContact O-CZ3 3.22Å; Y855-W1726 WeakPolarHBondContact O-CZ3 3.04Å
856	S	31.4	Very low	33.6	Very low	66 Å²	66	124.6 Å²	124.6	46%	0.462	65%	0.65	S	S	.	*			cis	153.6	167.6	-10.9	-96.4	0	0	0	0	105.7
857	A	26.9	Very low	33.5	Very low	76 Å²	76	128.4 Å²	128.4	63%	0.628	67%	0.665	S	S	*	*			trans	71.2	163	176.8	0	0	0	0	0	113.7
858	D	40.1	Very low	33.3	Very low	157 Å²	157	127.8 Å²	127.8	84%	0.84	67%	0.67	S	S	*	*			cis	-106.2	-160.7	0.6	-101.6	-66.6	0	0	0	113.8
859	D	39.3	Very low	33.3	Very low	147 Å²	147	126.7 Å²	126.7	79%	0.786	68%	0.68	S	S	*	*			trans	-129.5	-109.3	-160	-171	-93.3	0	0	0	112.5
860	Y	41.8	Very low	33	Very low	197 Å²	197	125.9 Å²	125.9	77%	0.773	69%	0.688	S	S	*	*			trans	71.8	124.7	-174.1	-83.4	-94.3	0	0	0	117.4
861	D	38.4	Very low	32.8	Very low	112 Å²	112	131.2 Å²	131.2	60%	0.599	70%	0.7	S	S	*	*			trans	26.4	122.7	146.3	-64.8	-28.1	0	0	0	119.8
862	V	32	Very low	32.7	Very low	130 Å²	130	129.7 Å²	129.7	79%	0.788	70%	0.7	S	S	*	*			cis	61.6	33.1	12.3	-157	0	0	0	0	115.1	H864	V862-H864 PolarHBondContact O-ND1 2.64Å
863	S	31.8	Very low	32.8	Very low	96 Å²	96	125.4 Å²	125.4	67%	0.671	68%	0.682	S	S	*	*			trans	-127.7	120	169.5	-162.8	0	0	0	0	113
864	H	34.4	Very low	32.2	Very low	131 Å²	131	127.3 Å²	127.3	61%	0.606	68%	0.679	S	S	*	*			cis	-160.8	147.6	-11.6	-126.5	23.7	0	0	0	112.2	V862	V862-H864 PolarHBondContact O-ND1 2.64Å
865	R	34	Very low	32.3	Very low	195 Å²	195	123.9 Å²	123.9	74%	0.736	67%	0.669	S	S	*	*			trans	65.3	148.7	149.8	-73	177	-179	-162.8	-3.4	118.7
866	S	31.6	Very low	32.4	Very low	94 Å²	94	120.9 Å²	120.9	66%	0.657	66%	0.657	S	S	*	*			cis	-138	135	10.9	-91.3	0	0	0	0	112.8
867	H	31.1	Very low	32.4	Very low	153 Å²	153	121.7 Å²	121.7	71%	0.708	65%	0.65	S	S	*	*				45	142.7	128.1	-55.1	-53.4	0	0	0	121.5
868	S	31.2	Very low	32.6	Very low	95 Å²	95	118.8 Å²	118.8	66%	0.664	63%	0.625	S	S	*	*			cis	-175.7	147.9	-3	45.8	0	0	0	0	113.5
869	V	31.2	Very low	32.1	Very low	135 Å²	135	116.5 Å²	116.5	82%	0.818	61%	0.608	S	S	*	*			trans	65.8	134.7	138.2	174.5	0	0	0	0	120.4
870	S	27.3	Very low	32.1	Very low	100 Å²	100	110.8 Å²	110.8	70%	0.699	58%	0.578	S	S	*	*			trans	-67.7	152.6	176.2	-19.8	0	0	0	0	114.8
871	K	28.6	Very low	31.5	Very low	198 Å²	198	104 Å²	104	86%	0.861	56%	0.559	S	S	*	*				168.5	148.1	117.5	-92.9	159.1	-173.2	170.4	0	115
872	S	27.8	Very low	31.2	Very low	106 Å²	106	105 Å²	105	74%	0.741	56%	0.561	S	S	*	*			trans	80.7	129.7	144.5	-158.3	0	0	0	0	121.6
873	S	29.6	Very low	31.1	Very low	58 Å²	58	102.3 Å²	102.3	41%	0.406	55%	0.547	S	S	.	.			trans	62.5	113.8	140.9	53.9	0	0	0	0	122
874	K	30.5	Very low	31.2	Very low	144 Å²	144	101.3 Å²	101.3	63%	0.626	54%	0.537	S	S	*	.			trans	78.8	115.9	134.6	-73	-177.4	-176	172.6	0	119.5	Q1590	K874-Q1590 WeakPolarHBondContact CB-O 3.37Å; K874-Q1590 WeakPolarHBondContact CD-O 3.02Å
875	S	32.1	Very low	31.2	Very low	50 Å²	50	97.6 Å²	97.6	35%	0.35	52%	0.521	S	S	.	.				84.2	130.2	122.7	-100.3	0	0	0	0	120.1	F246 V1591 Y1592	F246-S875 VanDerWaalsContact CE2-N 3.28Å; S875-V1591 CarbonylContact C-O 3.24Å; S875-V1591 VanDerWaalsContact C-O 3.31Å; S875-V1591 WeakPolarHBondContact CA-O 3.36Å; S875-V1591 WeakPolarHBondContact CB-O 3.3Å; S875-V1591 CarbonylContact O-C 3.36Å; S875-Y1592 CarbonylContact C-O 3.03Å; S875-Y1592 VanDerWaalsContact C-O 3.26Å; S875-Y1592 WeakPolarHBondContact CA-O 3.31Å; S875-Y1592 WeakPolarHBondContact CB-O 3.26Å; S875-Y1592 PolarHBondContact O-N 3.42Å; S875-Y1592 PolarHBondContact OG-O 3.07Å
876	W	28.8	Very low	31.5	Very low	99 Å²	99	90.1 Å²	90.1	38%	0.375	50%	0.496	S	S	.	.			trans	157.7	50.9	-162.5	-179.6	-1.4	0	0	0	110.5	F246 E248 Y1592 K1594	F246-W876 WeakPolarHBondContact CE1-O 3.42Å; E248-W876 VanDerWaalsContact OE1-O 3.12Å; W876-Y1592 VanDerWaalsContact N-C 3.33Å; W876-Y1592 PolarHBondContact N-O 2.75Å; W876-K1594 HydrophobicContact CD2-CB 4.45Å; W876-K1594 VanDerWaalsContact CE2-O 3.3Å; W876-K1594 HydrophobicContact CE3-CB 4.42Å; W876-K1594 HydrophobicContact CH2-CB 4.3Å; W876-K1594 HydrophobicContact CH2-CD 4.23Å; W876-K1594 HydrophobicContact CZ2-CB 4.33Å; W876-K1594 HydrophobicContact CZ3-CB 4.35Å; W876-K1594 PolarHBondContact NE1-O 3.08Å
877	R	31.6	Very low	31.6	Very low	82 Å²	82	89.2 Å²	89.2	31%	0.309	49%	0.49	S	S	.	.			trans	-55.2	140.3	-172.4	-74.4	176.4	164.3	-98.7	12.7	114.1	T285 K1594 E1595	T285-R877 PolarHBondContact O-NH2 3.36Å; R877-K1594 CarbonylContact O-C 3.4Å; R877-K1594 VanDerWaalsContact O-CA 3.31Å; R877-K1594 WeakPolarHBondContact O-CA 3.36Å; R877-K1594 PolarHBondContact O-N 3.3Å; R877-E1595 PolarHBondContact O-N 3.25Å
878	S	31.6	Very low	32.1	Very low	16 Å²	16	86.2 Å²	86.2	11%	0.112	48%	0.482	C	S	.	.				86.3	148.6	123.2	69.6	0	0	0	0	125.1	E248 E1595 G1596	E248-S878 PolarHBondContact OE1-N 3.33Å; S878-E1595 CarbonylContact O-C 3.3Å; S878-E1595 WeakPolarHBondContact O-CA 3.02Å; S878-E1595 PolarHBondContact O-N 2.82Å; S878-E1595 WeakPolarHBondContact OG-CG 3.29Å; S878-E1595 PolarHBondContact OG-N 2.77Å; S878-G1596 PolarHBondContact O-N 3.47Å
879	K	30.1	Very low	32.7	Very low	109 Å²	109	84.6 Å²	84.6	47%	0.474	47%	0.465	S	S	.	.			trans	70.3	150.5	169.8	-61.1	178	177.9	174.3	0	115.7	R249 E1595 G1596	R249-K879 VanDerWaalsContact CD-C 3.48Å; K879-E1595 HydrophobicContact CD-CB 4.26Å; K879-E1595 HydrophobicContact CD-CG 4.08Å; K879-E1595 WeakPolarHBondContact CE-OE1 3.22Å; K879-E1595 IonicContact NZ-OE1 2.71Å; K879-E1595 PolarHBondContact NZ-OE1 3.04Å; K879-G1596 CarbonylContact C-O 3.48Å
880	P	37.9	Very low	32.8	Very low	26 Å²	26	84.3 Å²	84.3	17%	0.169	46%	0.459	C	S	.	.			cis	-104.7	-128.3	-1.1	12.5	12.3	0	0	0	113.3	R249 I250 I251 G1596	R249-P880 WeakPolarHBondContact CB-O 3.31Å; R249-P880 WeakPolarHBondContact CD-O 3.09Å; R249-P880 WeakPolarHBondContact CG-O 3.01Å; R249-P880 PolarHBondContact NH1-O 3.13Å; I250-P880 WeakPolarHBondContact O-CG 2.99Å; I251-P880 HydrophobicContact CD1-CB 3.61Å; I251-P880 HydrophobicContact CD1-CG 3.9Å; I251-P880 HydrophobicContact CG1-CB 3.8Å; I251-P880 HydrophobicContact CG1-CG 3.71Å; P880-G1596 VanDerWaalsContact CD-O 3.28Å; P880-G1596 WeakPolarHBondContact CD-O 3.09Å; P880-G1596 WeakPolarHBondContact CG-O 3.43Å
881	S	30.6	Very low	32.8	Very low	54 Å²	54	82.7 Å²	82.7	38%	0.378	45%	0.452	S	S	.	.			trans	-161	154	-178.4	-74.2	0	0	0	0	112.3	R249 I251	R249-S881 PolarHBondContact NH1-OG 2.99Å; R249-S881 VanDerWaalsContact NH1-OG 3.08Å; I251-S881 VanDerWaalsContact CG2-O 3.25Å; I251-S881 WeakPolarHBondContact CG2-O 3.35Å
882	H	30.2	Very low	33.1	Very low	135 Å²	135	81.3 Å²	81.3	63%	0.625	44%	0.442	S	S	*	.			trans	73.4	146.4	-179.3	-54	-76.7	0	0	0	115.8	I250 I251	I250-H882 VanDerWaalsContact CB-O 3.29Å; I250-H882 WeakPolarHBondContact CB-O 3.49Å; I250-H882 VanDerWaalsContact CG2-C 3.44Å; I250-H882 VanDerWaalsContact CG2-N 3.34Å; I250-H882 WeakPolarHBondContact CG2-O 3.25Å; I251-H882 WeakPolarHBondContact CA-O 3.25Å; I251-H882 HydrophobicContact CG2-CB 4.31Å; I251-H882 VanDerWaalsContact CG2-O 3.31Å; I251-H882 WeakPolarHBondContact CG2-O 3.43Å; I251-H882 PolarHBondContact N-O 2.8Å
883	S	31.4	Very low	33.2	Very low	72 Å²	72	81.7 Å²	81.7	50%	0.503	44%	0.436	S	S	.	.			cis	-166	-171.5	-16.1	47.2	0	0	0	0	106.6
884	V	32.9	Very low	33.3	Very low	76 Å²	76	86 Å²	86	46%	0.461	45%	0.451	S	S	.	.			trans	162.4	152.5	130.7	159.5	0	0	0	0	109.4	G1626 K1627	V884-G1626 VanDerWaalsContact CG1-CA 3.49Å; V884-K1627 HydrophobicContact CB-CG 4.41Å; V884-K1627 HydrophobicContact CG1-CB 3.98Å; V884-K1627 HydrophobicContact CG1-CG 3.95Å; V884-K1627 HydrophobicContact CG2-CG 3.99Å
885	D	34.3	Very low	33.3	Very low	52 Å²	52	85.4 Å²	85.4	28%	0.278	46%	0.455	S	S	.	.			trans	-93.7	179.2	-165.6	-31.6	-27	0	0	0	111.6	K1627 K1628	D885-K1627 IonicContact OD1-NZ 3.18Å; D885-K1627 PolarHBondContact OD1-NZ 3.26Å; D885-K1627 WeakPolarHBondContact OD2-CG 3.31Å; D885-K1627 IonicContact OD2-NZ 2.63Å; D885-K1627 PolarHBondContact OD2-NZ 3.34Å; D885-K1628 PolarHBondContact OD2-N 3.36Å
886	D	40.3	Very low	33.2	Very low	38 Å²	38	87.1 Å²	87.1	20%	0.203	47%	0.467	C	S	.	.	B	Isolated β-bridge		-172.5	160.2	118.4	-95.7	-13.1	0	0	0	112.1	D223 G224 G1626 K1627	D223-D886 CarbonylContact C-O 3.11Å; D223-D886 VanDerWaalsContact CA-O 3.28Å; D223-D886 WeakPolarHBondContact CA-O 3.28Å; G224-D886 WeakPolarHBondContact CA-O 3.43Å; G224-D886 PolarHBondContact N-O 2.92Å; G224-D886 PolarHBondContact O-N 2.89Å; D886-G1626 VanDerWaalsContact CG-C 3.47Å; D886-G1626 WeakPolarHBondContact OD1-CA 3.31Å; D886-G1626 VanDerWaalsContact OD2-CA 3.26Å; D886-G1626 WeakPolarHBondContact OD2-CA 2.84Å; D886-G1626 PolarHBondContact OD2-N 3.22Å; D886-K1627 WeakPolarHBondContact OD1-CA 3.05Å; D886-K1627 PolarHBondContact OD1-N 3.41Å
887	S	33.6	Very low	33.2	Very low	75 Å²	75	93.5 Å²	93.5	52%	0.524	49%	0.491	S	S	.	.			cis	-171.7	-139.4	-32	55.9	0	0	0	0	106.6
888	V	42.5	Very low	33.1	Very low	90 Å²	90	95.6 Å²	95.6	55%	0.545	51%	0.513	S	S	.	.			trans	64.9	141.4	159.5	159.8	0	0	0	0	117.7
889	I	43.2	Very low	33	Very low	61 Å²	61	104.2 Å²	104.2	31%	0.313	55%	0.548	S	S	.	.			cis	-171.5	149.9	-27.5	-147.8	168	0	0	0	102.3	S216 E217	S216-I889 CarbonylContact C-O 2.93Å; E217-I889 CarbonylContact C-O 2.8Å; E217-I889 VanDerWaalsContact C-O 3.28Å; E217-I889 WeakPolarHBondContact CA-O 3.12Å; E217-I889 PolarHBondContact N-O 2.89Å; E217-I889 CarbonylContact O-C 3.53Å
890	D	32.9	Very low	33.2	Very low	130 Å²	130	103.2 Å²	103.2	70%	0.695	56%	0.555	S	S	*	*			cis	93.3	135.5	16.8	-59.9	-70.9	0	0	0	114.6	E217	E217-D890 CarbonylContact O-C 3.27Å; E217-D890 VanDerWaalsContact O-C 3.24Å; E217-D890 PolarHBondContact O-N 3.04Å
891	A	27.3	Very low	32.8	Very low	65 Å²	65	104.9 Å²	104.9	54%	0.537	58%	0.577	S	S	.	*			trans	79.3	161.5	-165.4	0	0	0	0	0	114.5
892	Y	36.9	Very low	32.7	Very low	170 Å²	170	110.3 Å²	110.3	67%	0.667	60%	0.601	S	S	*	*			cis	-128.8	137	12.6	-61.2	-98.1	0	0	0	110.4	I218	I218-Y892 VanDerWaalsContact O-CE2 3.32Å; I218-Y892 WeakPolarHBondContact O-CE2 3.03Å; I218-Y892 PolarHBondContact O-OH 3.32Å
893	N	28.3	Very low	32.9	Very low	114 Å²	114	109.3 Å²	109.3	61%	0.61	61%	0.605	S	S	*	*			cis	85.4	124.4	37.4	-167.8	29.6	0	0	0	113.6
894	M	31.6	Very low	32.9	Very low	147 Å²	147	112 Å²	112	72%	0.724	61%	0.613	S	S	*	*			trans	65.4	141.1	-177.8	-51.9	-54.7	174.2	0	0	115.1
895	N	31.2	Very low	32.9	Very low	132 Å²	132	115.1 Å²	115.1	71%	0.706	63%	0.627	S	S	*	*			cis	-130.3	144.5	0.7	-88.9	-53.4	0	0	0	109.3
896	S	31.1	Very low	32.9	Very low	86 Å²	86	120.4 Å²	120.4	60%	0.601	65%	0.651	S	S	*	*				73.7	118.2	69.6	130	0	0	0	0	114.9
897	R	28	Very low	32.7	Very low	234 Å²	234	125.4 Å²	125.4	88%	0.883	67%	0.672	S	S	*	*			trans	62.5	159.2	174.3	-57.7	-178.8	179.2	-168.5	-2.4	113.3
898	V	30.1	Very low	32.5	Very low	126 Å²	126	126.9 Å²	126.9	76%	0.764	67%	0.672	S	S	*	*				176.5	143.9	97.2	146.3	0	0	0	0	104.1
899	K	29.5	Very low	32.2	Very low	196 Å²	196	134.4 Å²	134.4	85%	0.852	69%	0.691	S	S	*	*	S	Bend	cis	-41.6	117.2	30.2	-62.4	-173.1	177.8	-173.5	0	115.7
900	S	33.2	Very low	31.7	Very low	88 Å²	88	139.4 Å²	139.4	62%	0.615	71%	0.707	S	S	*	*				76.6	122.1	54.1	77.7	0	0	0	0	109
901	G	29.1	Very low	31.8	Very low	62 Å²	62	140.6 Å²	140.6	64%	0.639	70%	0.702	S	S	*	*			cis	115.7	126.5	42.6	0	0	0	0	0	104.7
902	L	29.3	Very low	32.1	Very low	168 Å²	168	144.7 Å²	144.7	88%	0.88	71%	0.707	S	S	*	*				39	107.1	86.6	-69.3	172	0	0	0	109.9
903	T	34.2	Very low	31.9	Very low	114 Å²	114	143.5 Å²	143.5	70%	0.699	71%	0.708	S	S	*	*			cis	-130.1	145	32.9	46.8	0	0	0	0	115
904	D	32	Very low	32.1	Very low	127 Å²	127	143.3 Å²	143.3	68%	0.679	71%	0.71	S	S	*	*			trans	56.2	154.3	135.6	-45.8	-24.5	0	0	0	121.9
905	D	33.4	Very low	32.1	Very low	142 Å²	142	146.9 Å²	146.9	76%	0.759	72%	0.716	S	S	*	*			trans	59.1	121	174	-60.3	-15.8	0	0	0	116.5
906	E	33.2	Very low	32	Very low	164 Å²	164	147.1 Å²	147.1	77%	0.766	72%	0.717	S	S	*	*				56.3	137.7	86.6	-60.5	-148.8	142.5	0	0	113.9
907	H	35.6	Very low	32.2	Very low	143 Å²	143	149.7 Å²	149.7	66%	0.662	72%	0.723	S	S	*	*			cis	-151.3	158.6	27.7	-156.7	-77.2	0	0	0	112.7
908	M	30.4	Very low	32.4	Very low	106 Å²	106	143.7 Å²	143.7	52%	0.522	71%	0.712	S	S	.	*			trans	-51.8	144	179.1	-63.5	-166.4	-64.9	0	0	115.7	Y910	M908-Y910 HydrophobicContact CB-CD2 4.45Å
909	R	36.6	Very low	32.4	Very low	248 Å²	248	143.8 Å²	143.8	94%	0.936	71%	0.709	S	S	*	*	S	Bend		-137.5	127.8	125.5	-64.6	-168.8	-174.7	-161.5	2.1	110
910	Y	32.5	Very low	32.5	Very low	165 Å²	165	138.6 Å²	138.6	65%	0.647	69%	0.69	S	S	*	*	S	Bend	cis	-168.6	143	-16.2	-135.9	-127.4	0	0	0	103.1	M908	M908-Y910 HydrophobicContact CB-CD2 4.45Å
911	R	33.7	Very low	32.7	Very low	156 Å²	156	136.7 Å²	136.7	59%	0.589	68%	0.677	S	S	*	*			cis	-171.3	133.5	6.9	-158.4	-165.1	-160.5	178.7	6.3	109.8
912	K	33.3	Very low	33	Very low	151 Å²	151	137.9 Å²	137.9	66%	0.657	67%	0.674	S	S	*	*			trans	60.3	159	157.6	-71.1	169.4	165.7	-118.3	0	116.9
913	Q	33.3	Very low	33.2	Very low	145 Å²	145	138.1 Å²	138.1	68%	0.678	66%	0.664	S	S	*	*			cis	-164.7	156.7	-8	-115.6	167.8	-129.2	0	0	105.9
914	V	32	Very low	33.6	Very low	109 Å²	109	138.1 Å²	138.1	66%	0.661	66%	0.664	S	S	*	*			cis	-176.1	162.3	-23.4	58.9	0	0	0	0	107.6
915	R	32.8	Very low	33.7	Very low	222 Å²	222	142.6 Å²	142.6	84%	0.838	67%	0.671	S	S	*	*			trans	86.2	159.3	179.3	-58.6	169.9	-166.7	164.1	4.3	115.4
916	N	29.3	Very low	33.8	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	67%	0.665	S	S	*	*			cis	177.7	166.8	-44.6	-117.9	14.6	0	0	0	108.7
917	I	33.9	Very low	33.9	Very low	140 Å²	140	139.3 Å²	139.3	72%	0.718	66%	0.662	S	S	*	*			trans	72.2	91.9	147.6	-72.5	163.3	0	0	0	117.4
918	T	32.6	Very low	34.3	Very low	108 Å²	108	139.4 Å²	139.4	66%	0.663	67%	0.667	S	S	*	*				55.8	142.1	122.5	23	0	0	0	0	125.8
919	D	30.3	Very low	34.7	Very low	129 Å²	129	140.2 Å²	140.2	69%	0.69	67%	0.674	S	S	*	*			trans	92.5	143.1	133.2	-66.8	-22.5	0	0	0	125
920	D	32.7	Very low	34.7	Very low	87 Å²	87	134.1 Å²	134.1	47%	0.465	66%	0.66	S	S	.	*			trans	83.9	147.9	150.4	-79.9	12.6	0	0	0	124.4	N162 K163 T164	N162-D920 VanDerWaalsContact CB-OD1 3.28Å; N162-D920 WeakPolarHBondContact CB-OD1 3.29Å; K163-D920 WeakPolarHBondContact CA-OD2 2.97Å; K163-D920 PolarHBondContact N-OD2 2.99Å; T164-D920 PolarHBondContact N-OD2 2.71Å
921	S	36.6	Very low	34.7	Very low	48 Å²	48	133.5 Å²	133.5	34%	0.336	67%	0.667	S	S	.	*			trans	-88.8	145.8	-168.3	63.5	0	0	0	0	113.6	N162	N162-S921 PolarHBondContact O-OG 3.23Å
922	C	35.7	Very low	34.9	Very low	87 Å²	87	131.3 Å²	131.3	59%	0.588	68%	0.676	S	S	*	*			trans	43.3	103.7	153.6	-61.1	0	0	0	0	117.1
923	W	33.7	Very low	35.1	Very low	172 Å²	172	128.3 Å²	128.3	65%	0.652	67%	0.674	S	S	*	*				-169.8	150	91.8	-102.7	79.3	0	0	0	109	V155	V155-W923 HydrophobicContact CG1-CH2 3.65Å; V155-W923 HydrophobicContact CG1-CZ2 3.59Å; V155-W923 HydrophobicContact CG2-CH2 4.41Å
924	T	41.4	Very low	35.7	Very low	114 Å²	114	128 Å²	128	70%	0.699	69%	0.685	S	S	*	*			trans	2.2	137.1	168.4	54	0	0	0	0	119
925	R	34.6	Very low	35.9	Very low	222 Å²	222	127.7 Å²	127.7	84%	0.838	69%	0.688	S	S	*	*				-171.6	151.6	58.9	-162.4	170.5	175.1	173.6	-2.3	114.1
926	T	36.4	Very low	35.9	Very low	103 Å²	103	123.3 Å²	123.3	63%	0.632	69%	0.685	S	S	*	*			trans	63.7	109.2	157.3	40	0	0	0	0	122.2
927	D	35.7	Very low	36	Very low	133 Å²	133	124.1 Å²	124.1	71%	0.711	69%	0.689	S	S	*	*				85	94.4	119.5	-56.6	-2.5	0	0	0	123.8
928	L	43.4	Very low	35.9	Very low	145 Å²	145	122.4 Å²	122.4	76%	0.759	69%	0.689	S	S	*	*				64.6	105.2	110	-69.8	166.2	0	0	0	121.9
929	D	38.6	Very low	36	Very low	124 Å²	124	121.6 Å²	121.6	66%	0.663	69%	0.688	S	S	*	*				120.9	133.9	101.1	-109.9	21.8	0	0	0	121.7
930	N	36.2	Very low	36.1	Very low	119 Å²	119	123.4 Å²	123.4	64%	0.636	69%	0.692	S	S	*	*			trans	62.7	127.4	153.2	-58.1	-51.6	0	0	0	121.8
931	N	32.8	Very low	36	Very low	152 Å²	152	124.2 Å²	124.2	81%	0.813	71%	0.705	S	S	*	*				170.9	153.2	103.8	-91.3	-46.9	0	0	0	113.7
932	S	37.6	Very low	35.8	Very low	110 Å²	110	129.9 Å²	129.9	77%	0.769	73%	0.726	S	S	*	*				159.9	155	123.3	-78.5	0	0	0	0	113.5
933	S	37.8	Very low	35.5	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	73%	0.729	S	S	*	*			cis	-171.1	175.8	-24.2	-89.9	0	0	0	0	107.2
934	P	46.1	Very low	35.2	Very low	138 Å²	138	129.8 Å²	129.8	90%	0.896	73%	0.732	S	S	*	*				-135.1	154.2	101.2	37.6	-28.1	0	0	0	113.4
935	S	35.4	Very low	34.8	Very low	103 Å²	103	133.9 Å²	133.9	72%	0.72	74%	0.743	S	S	*	*			trans	-131.4	139.6	-159.6	54.5	0	0	0	0	113.9
936	V	32.7	Very low	34.8	Very low	130 Å²	130	128.3 Å²	128.3	79%	0.788	74%	0.737	S	S	*	*			trans	-145.1	113.4	164.9	179.2	0	0	0	0	109.6
937	L	31.8	Very low	34.6	Very low	153 Å²	153	126.1 Å²	126.1	80%	0.801	74%	0.735	S	S	*	*			trans	65.2	127.8	170.4	-56.9	169.2	0	0	0	115.8
938	S	31.2	Very low	34.6	Very low	104 Å²	104	126.5 Å²	126.5	73%	0.727	74%	0.742	S	S	*	*				78	122.6	51	-63.1	0	0	0	0	112.4
939	S	34.4	Very low	34.2	Very low	91 Å²	91	126.7 Å²	126.7	64%	0.636	74%	0.743	S	S	*	*			cis	-153.6	-179.8	1.7	-71.1	0	0	0	0	112.1
940	E	34	Very low	33.9	Very low	167 Å²	167	125.5 Å²	125.5	78%	0.78	74%	0.744	S	S	*	*			trans	28.9	109.5	145.9	-65.1	145.9	143.8	0	0	117.9
941	S	30.5	Very low	33.9	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	75%	0.751	S	S	*	*				71.2	128.2	61.9	79.1	0	0	0	0	115.9
942	E	31.3	Very low	34.1	Very low	167 Å²	167	125.1 Å²	125.1	78%	0.78	75%	0.747	S	S	*	*			trans	88.5	137.4	170.9	-59.9	-156.9	174.9	0	0	120.3
943	N	30.4	Very low	34.1	Very low	122 Å²	122	126.4 Å²	126.4	65%	0.652	74%	0.74	S	S	*	*			trans	68.6	115.8	152.5	-55.3	-33.8	0	0	0	120.8
944	N	27.7	Very low	34	Very low	135 Å²	135	130 Å²	130	72%	0.722	75%	0.747	S	S	*	*			trans	52	107.2	138.4	-52.2	-17.8	0	0	0	119.1
945	E	32.7	Very low	33.6	Very low	200 Å²	200	126.6 Å²	126.6	94%	0.935	74%	0.738	S	S	*	*			trans	-106.9	79.8	137.7	-163.6	156.1	-140.7	0	0	108.8	G947	E945-G947 PolarHBondContact O-N 3.19Å
946	C	33.7	Very low	33.5	Very low	105 Å²	105	129 Å²	129	71%	0.709	74%	0.742	S	S	*	*			trans	-67.6	121.1	165.6	-68.8	0	0	0	0	108
947	G	33.2	Very low	33.9	Very low	57 Å²	57	126.3 Å²	126.3	59%	0.588	74%	0.741	S	S	*	*			trans	-73.8	169.1	-173.7	0	0	0	0	0	115	E945	E945-G947 PolarHBondContact O-N 3.19Å
948	V	35.7	Very low	34.1	Very low	142 Å²	142	123.5 Å²	123.5	86%	0.861	73%	0.73	S	S	*	*			trans	-125	96.9	164.2	176.2	0	0	0	0	103.7
949	L	33.5	Very low	34.4	Very low	148 Å²	148	125.9 Å²	125.9	78%	0.775	73%	0.73	S	S	*	*				56.3	120.9	67.6	-56	175	0	0	0	111
950	S	33.1	Very low	34.8	Very low	99 Å²	99	128.7 Å²	128.7	69%	0.692	74%	0.737	S	S	*	*			cis	-124.7	166.5	11.6	-57.5	0	0	0	0	110.1
951	D	36.2	Very low	34.9	Very low	144 Å²	144	127.3 Å²	127.3	77%	0.77	74%	0.736	S	S	*	*				-154.8	145.4	63.1	-85.4	-25.5	0	0	0	109.8
952	V	37.1	Very low	35.2	Very low	120 Å²	120	131 Å²	131	73%	0.727	74%	0.739	S	S	*	*				56.9	115.8	78.5	171.1	0	0	0	0	110
953	Q	37.3	Very low	35.1	Very low	136 Å²	136	133.9 Å²	133.9	64%	0.636	74%	0.742	S	S	*	*			cis	-154.5	-174	29.9	-167.1	53.2	-3.5	0	0	112.8
954	E	36.8	Very low	35.1	Very low	165 Å²	165	138.1 Å²	138.1	77%	0.771	75%	0.751	S	S	*	*			trans	-32	166	160	-58.3	147	162.8	0	0	115.3
955	G	38.2	Very low	35.3	Very low	67 Å²	67	138.6 Å²	138.6	69%	0.691	75%	0.753	S	S	*	*			cis	168.7	139.7	11.6	0	0	0	0	0	106.9
956	D	32.4	Very low	35	Very low	154 Å²	154	138.9 Å²	138.9	82%	0.824	75%	0.745	S	S	*	*				80.1	134.4	105.3	-153.9	6	0	0	0	113.9
957	G	40.4	Very low	34.8	Very low	73 Å²	73	141.8 Å²	141.8	75%	0.753	75%	0.746	S	S	*	*			trans	165.8	38.8	-151.3	0	0	0	0	0	113
958	T	36.6	Very low	34.7	Very low	94 Å²	94	146.4 Å²	146.4	58%	0.577	75%	0.753	S	S	*	*			trans	-48.3	160.8	153.5	47	0	0	0	0	112
959	E	37.7	Very low	34.6	Very low	154 Å²	154	144.9 Å²	144.9	72%	0.72	74%	0.744	S	S	*	*			cis	-152.5	168.1	-10.2	-109.9	153.6	172.4	0	0	106
960	D	41.5	Very low	34.7	Very low	149 Å²	149	146 Å²	146	80%	0.797	75%	0.745	S	S	*	*				-168.5	150.8	78	-88.4	-40	0	0	0	111.4
961	D	37	Very low	34.7	Very low	139 Å²	139	146.4 Å²	146.4	74%	0.743	75%	0.747	S	S	*	*	S	Bend	trans	36.5	114.9	152.3	-91.9	14.1	0	0	0	120.6
962	K	36.9	Very low	34.3	Very low	182 Å²	182	143.3 Å²	143.3	79%	0.791	75%	0.75	S	S	*	*			cis	-147.7	141.9	16.7	-61.4	-176	179.4	179.7	0	112.8
963	R	29.8	Very low	34.2	Very low	227 Å²	227	146.9 Å²	146.9	86%	0.857	76%	0.755	S	S	*	*			trans	-95.1	148.5	165.7	-59	-179.8	-177.5	-175.2	3.2	110.5
964	Y	29.6	Very low	34.2	Very low	211 Å²	211	149.9 Å²	149.9	83%	0.827	77%	0.766	S	S	*	*				171.7	135.4	118.5	-106.3	-80.1	0	0	0	112.1
965	N	31.5	Very low	34	Very low	144 Å²	144	153.3 Å²	153.3	77%	0.77	77%	0.772	S	S	*	*			trans	62.1	126.7	180	-55.6	-40.2	0	0	0	114.8
966	R	27.6	Very low	33.7	Very low	206 Å²	206	154.5 Å²	154.5	78%	0.777	77%	0.77	S	S	*	*			cis	82.5	122.7	41	-165.5	-168	-80.6	-151.2	-1.8	113.2
967	F	28.4	Very low	33.7	Very low	166 Å²	166	153.6 Å²	153.6	73%	0.728	76%	0.761	S	S	*	*			trans	92	146.8	172.1	-66.7	-73.1	0	0	0	119.5
968	H	32.3	Very low	33.3	Very low	155 Å²	155	157.8 Å²	157.8	72%	0.718	76%	0.76	S	S	*	*			trans	64.7	154.4	162.3	-66.2	-59.5	0	0	0	117
969	T	33.4	Very low	33	Very low	110 Å²	110	159.8 Å²	159.8	68%	0.675	77%	0.767	S	S	*	*			cis	-167.9	157.6	-5.2	19.2	0	0	0	0	107.3
970	E	35.4	Very low	32.7	Very low	172 Å²	172	156.9 Å²	156.9	80%	0.804	76%	0.764	S	S	*	*			cis	-160.5	179.9	-18.7	-140.2	163.7	-133.1	0	0	109.5
971	S	32.4	Very low	32.4	Very low	106 Å²	106	157.9 Å²	157.9	74%	0.741	76%	0.761	S	S	*	*			trans	-125.9	153.5	-176.3	71.7	0	0	0	0	113.4	K973	S971-K973 PolarHBondContact O-N 2.82Å; S971-K973 VanDerWaalsContact O-N 3.13Å
972	G	29.1	Very low	32	Very low	79 Å²	79	160.2 Å²	160.2	81%	0.814	77%	0.765	S	S	*	*	S	Bend	trans	-78.2	95.1	-175.2	0	0	0	0	0	114.7
973	K	34	Very low	31.8	Very low	196 Å²	196	156.6 Å²	156.6	85%	0.852	76%	0.762	S	S	*	*			trans	-166.9	138.2	153	-109.7	156.7	-172.4	172.7	0	113.5	S971	S971-K973 PolarHBondContact O-N 2.82Å; S971-K973 VanDerWaalsContact O-N 3.13Å
974	K	36.8	Very low	31.7	Very low	199 Å²	199	154.4 Å²	154.4	87%	0.865	76%	0.762	S	S	*	*			trans	70.1	108	165.8	-61.4	-179.4	178.1	178.3	0	119.4
975	R	33.3	Very low	32.2	Very low	236 Å²	236	149.3 Å²	149.3	89%	0.891	75%	0.754	S	S	*	*				50	101.8	121.6	-172.8	-163.8	-176.9	-170.2	1.7	118.6
976	S	31.6	Very low	32.1	Very low	93 Å²	93	149 Å²	149	65%	0.65	75%	0.753	S	S	*	*				173.2	147.3	93.9	-158	0	0	0	0	114
977	Q	33	Very low	32.3	Very low	135 Å²	135	146.2 Å²	146.2	63%	0.631	75%	0.748	S	S	*	*			trans	57.1	144.4	152.3	-88.1	168.1	-35.3	0	0	123.6	D150	D150-Q977 PolarHBondContact OD1-NE2 3.16Å; D150-Q977 VanDerWaalsContact OD1-NE2 3.15Å; D150-Q977 PolarHBondContact OD2-NE2 2.74Å
978	H	30.5	Very low	32.5	Very low	160 Å²	160	143.2 Å²	143.2	74%	0.741	75%	0.754	S	S	*	*			trans	81	117.7	155.7	-130.7	-94.6	0	0	0	122.3
979	L	31.1	Very low	32.5	Very low	137 Å²	137	139.2 Å²	139.2	72%	0.717	76%	0.755	S	S	*	*			trans	-21.4	145.2	156.1	-82.5	72.6	0	0	0	116.5
980	S	32.5	Very low	32.7	Very low	93 Å²	93	140.6 Å²	140.6	65%	0.65	76%	0.763	S	S	*	*			cis	-170.9	175	19.4	47.7	0	0	0	0	115.3
981	K	33.5	Very low	32.7	Very low	170 Å²	170	136.7 Å²	136.7	74%	0.739	76%	0.755	S	S	*	*			trans	91.5	111.6	156	-62.7	179.5	-173.3	177.3	0	119.2
982	F	30.4	Very low	32.7	Very low	188 Å²	188	139.7 Å²	139.7	83%	0.825	76%	0.763	S	S	*	*			trans	47.4	132.9	131.4	-59	-65.7	0	0	0	120.1
983	S	31.5	Very low	32.9	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	76%	0.761	S	S	*	*			cis	-156.6	165.9	8.7	-94.2	0	0	0	0	113.4
984	H	28.2	Very low	33	Very low	182 Å²	182	141.5 Å²	141.5	84%	0.843	76%	0.755	S	S	*	*			trans	-71.1	174.7	173.1	-63	-61.6	0	0	0	113
985	P	38.9	Very low	33	Very low	104 Å²	104	137.1 Å²	137.1	68%	0.675	74%	0.741	S	S	*	*			cis	-152.6	174.7	22.1	45.5	-25	0	0	0	121.9
986	N	30.8	Very low	33.2	Very low	137 Å²	137	133.3 Å²	133.3	73%	0.733	73%	0.731	S	S	*	*			trans	89.2	135.2	139.5	-81.3	-28.2	0	0	0	124.8
987	Q	31.9	Very low	33.3	Very low	147 Å²	147	133.9 Å²	133.9	69%	0.687	73%	0.727	S	S	*	*			trans	66.9	135	158	-69	169.4	120.3	0	0	117.4
988	A	32.7	Very low	33.5	Very low	103 Å²	103	134.8 Å²	134.8	85%	0.851	73%	0.729	S	S	*	*			cis	-165.3	167	-5.1	0	0	0	0	0	110.8
989	G	32.5	Very low	33.7	Very low	72 Å²	72	130.3 Å²	130.3	74%	0.742	72%	0.715	S	S	*	*			trans	149.3	124.9	159.1	0	0	0	0	0	118.4
990	V	36.8	Very low	33.8	Very low	139 Å²	139	126.6 Å²	126.6	84%	0.842	70%	0.696	S	S	*	*			trans	63.2	79	150.8	-162.8	0	0	0	0	119.1
991	S	34.8	Very low	33.9	Very low	90 Å²	90	125.6 Å²	125.6	63%	0.629	69%	0.689	S	S	*	*			trans	35.9	104	133.1	62.2	0	0	0	0	121.2
992	D	33.4	Very low	33.9	Very low	169 Å²	169	123 Å²	123	90%	0.904	69%	0.687	S	S	*	*				59.6	135.7	113.7	-55.5	-19.3	0	0	0	122.5
993	N	32.8	Very low	34	Very low	146 Å²	146	119.1 Å²	119.1	78%	0.781	68%	0.684	S	S	*	*			trans	-149.4	159.5	-179.4	-167.9	-14.6	0	0	0	108.9
994	K	36.1	Very low	33.8	Very low	167 Å²	167	124 Å²	124	73%	0.726	69%	0.687	S	S	*	*			trans	83.3	97.3	168	-58.1	-169.5	177	-179	0	120.4
995	D	37	Very low	33.9	Very low	106 Å²	106	121.3 Å²	121.3	57%	0.567	68%	0.679	S	S	*	*				89.6	115.6	104	-71.9	-14.6	0	0	0	124.5
996	K	37.2	Very low	33.6	Very low	156 Å²	156	125.7 Å²	125.7	68%	0.678	68%	0.682	S	S	*	*				66.6	138.6	123.5	-58.9	171.8	177.7	86.1	0	118.7
997	N	34.3	Very low	33.6	Very low	105 Å²	105	128.1 Å²	128.1	56%	0.561	68%	0.681	S	S	*	*			cis	-167.5	135.3	-2.6	-115.3	-22.2	0	0	0	113
998	K	36.5	Very low	33.5	Very low	155 Å²	155	124.8 Å²	124.8	67%	0.674	69%	0.686	S	S	*	*			trans	50	-175.3	131.5	-63.5	-179.5	-177.5	-172.3	0	121.1	F1522 S1523 Q1524	K998-F1522 CarbonylContact C-O 2.81Å; K998-F1522 VanDerWaalsContact C-O 3.23Å; K998-F1522 CarbonylContact O-C 3.49Å; K998-S1523 CarbonylContact C-O 3.26Å; K998-S1523 CarbonylContact O-C 2.86Å; K998-S1523 WeakPolarHBondContact O-CA 3.22Å; K998-S1523 PolarHBondContact O-N 3.31Å; K998-S1523 VanDerWaalsContact O-O 3.08Å; K998-Q1524 CarbonylContact C-O 2.87Å; K998-Q1524 PolarHBondContact O-N 3Å
999	S	34.4	Very low	33.7	Very low	65 Å²	65	128.7 Å²	128.7	46%	0.455	68%	0.679	S	S	.	*				-149.5	155.5	-72.6	-164	0	0	0	0	114.7	K1521 F1522 S1523	S999-K1521 WeakPolarHBondContact CA-O 3.31Å; S999-K1521 PolarHBondContact OG-O 2.99Å; S999-F1522 VanDerWaalsContact CA-C 3.49Å; S999-F1522 WeakPolarHBondContact CA-O 3.47Å; S999-S1523 CarbonylContact C-O 2.83Å; S999-S1523 WeakPolarHBondContact CA-O 3.33Å; S999-S1523 VanDerWaalsContact N-N 3.15Å; S999-S1523 PolarHBondContact N-O 2.78Å
1000	L	34.5	Very low	33.6	Very low	59 Å²	59	135.1 Å²	135.1	31%	0.309	68%	0.68	S	S	.	*			trans	-54.5	122.7	-164.5	-86.6	-156.3	0	0	0	119.7	K1521 F1522	L1000-K1521 HydrophobicContact CB-CB 3.82Å; L1000-K1521 HydrophobicContact CB-CD 4.01Å; L1000-K1521 HydrophobicContact CB-CG 3.96Å; L1000-K1521 HydrophobicContact CD1-CB 4.16Å; L1000-K1521 HydrophobicContact CD1-CD 3.93Å; L1000-K1521 HydrophobicContact CD1-CG 3.6Å; L1000-K1521 HydrophobicContact CG-CB 3.66Å; L1000-K1521 HydrophobicContact CG-CD 4.22Å; L1000-K1521 HydrophobicContact CG-CG 3.71Å; L1000-F1522 HydrophobicContact CD2-CB 4.31Å; L1000-F1522 HydrophobicContact CD2-CD2 3.55Å; L1000-F1522 HydrophobicContact CD2-CE2 4.14Å; L1000-F1522 HydrophobicContact CD2-CG 4.18Å
1001	S	33.3	Very low	33.3	Very low	73 Å²	73	130 Å²	130	51%	0.51	66%	0.656	S	S	.	*				66.5	153.6	111.6	91.7	0	0	0	0	125.8
1002	T	33.2	Very low	33.2	Very low	115 Å²	115	128.5 Å²	128.5	71%	0.706	64%	0.637	S	S	*	*			trans	88	108.1	142.3	-54.3	0	0	0	0	120.6
1003	S	32.8	Very low	33.2	Very low	107 Å²	107	123.8 Å²	123.8	75%	0.748	61%	0.613	S	S	*	*				-172.6	121	117.6	32.9	0	0	0	0	116.1
1004	Y	28.8	Very low	33.4	Very low	208 Å²	208	119.2 Å²	119.2	82%	0.816	60%	0.601	S	S	*	*			trans	52.3	131.1	143.4	-69	-73.6	0	0	0	126.8
1005	N	30.4	Very low	33.3	Very low	125 Å²	125	117.6 Å²	117.6	67%	0.668	61%	0.605	S	S	*	*			trans	99.2	94.3	136.3	-82.7	-44.8	0	0	0	123.6
1006	R	31	Very low	33	Very low	196 Å²	196	119.8 Å²	119.8	74%	0.74	62%	0.617	S	S	*	*				72.6	114.3	126.6	-72.2	-179.8	-179.6	-159.1	0.9	122.4
1007	R	30.8	Very low	32.8	Very low	188 Å²	188	116.5 Å²	116.5	71%	0.709	61%	0.613	S	S	*	*			trans	70.9	77.8	134.6	-57.7	179.2	-173.4	-171	1.7	119
1008	G	31.4	Very low	32.9	Very low	76 Å²	76	119.7 Å²	119.7	78%	0.784	63%	0.625	S	S	*	*			trans	-86.2	-157.4	164	0	0	0	0	0	114.9
1009	R	35.2	Very low	32.8	Very low	186 Å²	186	120.7 Å²	120.7	70%	0.702	63%	0.63	S	S	*	*			trans	-155.3	132.3	166.7	-90.2	-173	174	-163.6	-0.5	112.4
1010	R	31	Very low	33	Very low	206 Å²	206	123.6 Å²	123.6	78%	0.777	65%	0.645	S	S	*	*			trans	8.4	151.6	147.6	-56.7	-174.8	-173	-162.8	-2.9	122.5	D1535	R1010-D1535 VanDerWaalsContact CB-OD2 3.3Å; R1010-D1535 WeakPolarHBondContact CB-OD2 3.48Å
1011	G	30.6	Very low	33.1	Very low	32 Å²	32	126 Å²	126	33%	0.33	67%	0.666	S	S	.	*			trans	150.3	127.1	146.6	0	0	0	0	0	118.6	Q1534 D1535	G1011-Q1534 VanDerWaalsContact C-CG 3.48Å; G1011-Q1534 VanDerWaalsContact O-CD 3.28Å; G1011-Q1534 VanDerWaalsContact O-CG 3.26Å; G1011-Q1534 WeakPolarHBondContact O-CG 3.46Å; G1011-Q1534 PolarHBondContact O-NE2 3.12Å; G1011-D1535 PolarHBondContact N-OD2 3.06Å
1012	R	32.4	Very low	33.6	Very low	59 Å²	59	128 Å²	128	22%	0.223	68%	0.681	C	S	.	*			trans	-40.9	162.4	177.9	-102.8	180	-59	151	21.1	118.9	I271 Q1534 D1535 T1536 F1537 E1538	I271-R1012 VanDerWaalsContact CG2-NH2 3.27Å; R1012-Q1534 VanDerWaalsContact CA-OE1 3.24Å; R1012-Q1534 HydrophobicContact CG-CB 4.16Å; R1012-Q1534 PolarHBondContact O-NE2 3.25Å; R1012-D1535 WeakPolarHBondContact CD-O 3.1Å; R1012-D1535 VanDerWaalsContact CG-O 3.22Å; R1012-D1535 WeakPolarHBondContact CG-O 3.1Å; R1012-D1535 PolarHBondContact NE-O 3.11Å; R1012-T1536 PolarHBondContact NE-O 3.18Å; R1012-F1537 PolarHBondContact NH1-O 3.44Å; R1012-E1538 PolarHBondContact NH1-O 3.5Å
1013	V	34.3	Very low	33.4	Very low	69 Å²	69	133.1 Å²	133.1	42%	0.418	69%	0.687	S	S	.	*			cis	-137.3	172.2	13.2	-174.5	0	0	0	0	109.2	E273 Q1534	E273-V1013 HydrophobicContact CB-CG2 4.28Å; V1013-Q1534 VanDerWaalsContact C-OE1 3.23Å; V1013-Q1534 VanDerWaalsContact N-OE1 3.16Å; V1013-Q1534 PolarHBondContact O-OE1 3.04Å
1014	G	35.6	Very low	33.7	Very low	50 Å²	50	132.6 Å²	132.6	52%	0.515	68%	0.683	S	S	.	*			cis	150	161.7	-17	0	0	0	0	0	117.2
1015	T	34.4	Very low	34.4	Very low	134 Å²	134	133 Å²	133	82%	0.822	68%	0.684	S	S	*	*			trans	60.6	104.7	160.5	49.6	0	0	0	0	126.1
1016	N	30.1	Very low	34.8	Very low	151 Å²	151	132.5 Å²	132.5	81%	0.807	69%	0.686	S	S	*	*				56	121.9	115.4	-100.5	4.6	0	0	0	126.9
1017	S	34.6	Very low	35.4	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	68%	0.684	S	S	*	*				81.7	130.2	123	73.7	0	0	0	0	124.3
1018	H	36.6	Very low	35.6	Very low	173 Å²	173	126.3 Å²	126.3	80%	0.801	69%	0.686	S	S	*	*			trans	-145.5	125.7	136	-94.9	-82	0	0	0	108.3
1019	F	33.5	Very low	35.7	Very low	176 Å²	176	125.7 Å²	125.7	77%	0.772	67%	0.665	S	S	*	*				67.2	142.5	86.5	-82.6	-83.6	0	0	0	114.1
1020	T	37.8	Very low	35.4	Very low	126 Å²	126	122.4 Å²	122.4	77%	0.773	66%	0.656	S	S	*	*			cis	-90.8	-152.2	16.8	59.2	0	0	0	0	113
1021	S	38.2	Very low	35.4	Very low	109 Å²	109	115.5 Å²	115.5	76%	0.762	64%	0.639	S	S	*	*			cis	-155.6	-173.1	14.1	-158.9	0	0	0	0	113.1
1022	S	42.4	Very low	35.2	Very low	116 Å²	116	116 Å²	116	81%	0.811	64%	0.637	S	S	*	*			trans	-140.3	175.2	-159.3	-61.8	0	0	0	0	114.2
1023	R	30.4	Very low	34.9	Very low	222 Å²	222	114.9 Å²	114.9	84%	0.838	63%	0.634	S	S	*	*				176.3	156.3	-51.8	177.7	167.9	-178.9	-170.1	-0.8	109.2
1024	S	37.4	Very low	34.7	Very low	95 Å²	95	111.8 Å²	111.8	66%	0.664	62%	0.615	S	S	*	*			trans	84.1	167.4	178.6	-52.9	0	0	0	0	113
1025	Y	45.3	Very low	34.7	Very low	216 Å²	216	114.6 Å²	114.6	85%	0.847	61%	0.613	S	S	*	*			cis	-132.9	-161.3	15.5	-118	-78.4	0	0	0	114
1026	T	37.3	Very low	34.7	Very low	116 Å²	116	111.8 Å²	111.8	71%	0.712	59%	0.587	S	S	*	*			trans	-89.9	177	178.2	57.4	0	0	0	0	110.7
1027	T	43.9	Very low	34.9	Very low	111 Å²	111	112.1 Å²	112.1	68%	0.681	58%	0.578	S	S	*	*			cis	-154.7	159.6	21.6	-40.7	0	0	0	0	110.8
1028	D	36.1	Very low	34.9	Very low	142 Å²	142	111.5 Å²	111.5	76%	0.759	57%	0.574	S	S	*	*			trans	-2.1	156.7	158	-50.7	-16.8	0	0	0	121.9
1029	D	32.8	Very low	34.8	Very low	63 Å²	63	111.8 Å²	111.8	34%	0.337	57%	0.573	S	S	.	*			cis	-168.1	154.9	-25.2	-169.7	12.6	0	0	0	108.1
1030	F	28.8	Very low	34.7	Very low	117 Å²	117	104 Å²	104	51%	0.513	54%	0.543	S	S	.	.			trans	64.8	159.4	-175.9	-54.7	-105.5	0	0	0	117.5	V1404	F1030-V1404 VanDerWaalsContact C-CG1 3.4Å; F1030-V1404 VanDerWaalsContact CA-CG1 3.44Å
1031	S	31.1	Very low	34.6	Very low	61 Å²	61	98.2 Å²	98.2	43%	0.427	51%	0.507	S	S	.	.			trans	43.6	134.5	-166.7	-91	0	0	0	0	121.8	V1404 G1405 T1406	S1031-V1404 VanDerWaalsContact CA-C 3.43Å; S1031-V1404 WeakPolarHBondContact CA-O 3.11Å; S1031-G1405 VanDerWaalsContact N-N 3.15Å; S1031-T1406 PolarHBondContact OG-O 2.75Å; S1031-T1406 PolarHBondContact OG-OG1 2.78Å
1032	S	26.6	Very low	34.6	Very low	42 Å²	42	96.7 Å²	96.7	29%	0.294	49%	0.488	S	S	.	.			cis	-145.7	92.1	-8.7	-59.5	0	0	0	0	114.2	V1404 T1406 F1468	S1032-V1404 VanDerWaalsContact CA-O 3.22Å; S1032-V1404 WeakPolarHBondContact CA-O 3.26Å; S1032-T1406 PolarHBondContact OG-O 2.97Å; S1032-F1468 VanDerWaalsContact C-CE2 3.4Å; S1032-F1468 WeakPolarHBondContact O-CE2 3.07Å; S1032-F1468 WeakPolarHBondContact O-CZ 3.44Å
1033	Y	25.5	Very low	34.3	Very low	36 Å²	36	96 Å²	96	14%	0.141	47%	0.472	C	S	.	.			trans	81.6	-117.4	165.8	-150.8	-85.6	0	0	0	126.2	D1044 Y1045 Y1046 R1401 Q1402 F1468	Y1033-D1044 WeakPolarHBondContact CB-OD1 3.38Å; Y1033-D1044 HydrophobicContact CD1-CB 4.18Å; Y1033-D1044 VanDerWaalsContact CD1-OD1 3.27Å; Y1033-D1044 WeakPolarHBondContact CD1-OD1 3.44Å; Y1033-Y1045 HydrophobicContact CD2-CD1 4.1Å; Y1033-Y1045 HydrophobicContact CD2-CD2 4.24Å; Y1033-Y1045 HydrophobicContact CD2-CE1 4.23Å; Y1033-Y1045 HydrophobicContact CD2-CE2 4.39Å; Y1033-Y1045 HydrophobicContact CD2-CG 4.06Å; Y1033-Y1045 WeakPolarHBondContact CE2-O 3.2Å; Y1033-Y1045 HydrophobicContact CG-CD2 4.01Å; Y1033-Y1045 HydrophobicContact CG-CE2 4.14Å; Y1033-Y1045 HydrophobicContact CG-CG 4.24Å; Y1033-Y1045 PolarHBondContact OH-O 3.12Å; Y1033-Y1046 AromaticContact CD2-CD2 3.92Å; Y1033-Y1046 HydrophobicContact CD2-CD2 3.92Å; Y1033-Y1046 HydrophobicContact CD2-CG 4.03Å; Y1033-Y1046 VanDerWaalsContact CE2-CB 3.47Å; Y1033-Y1046 HydrophobicContact CE2-CD1 4.13Å; Y1033-Y1046 AromaticContact CE2-CD2 3.8Å; Y1033-Y1046 HydrophobicContact CE2-CD2 3.8Å; Y1033-Y1046 AromaticContact CE2-CG 3.54Å; Y1033-Y1046 HydrophobicContact CE2-CG 3.54Å; Y1033-R1401 CarbonylContact C-O 3.48Å; Y1033-R1401 WeakPolarHBondContact CD1-O 3.1Å; Y1033-R1401 WeakPolarHBondContact CD2-O 3.48Å; Y1033-R1401 WeakPolarHBondContact CE1-O 3.31Å; Y1033-R1401 WeakPolarHBondContact CE2-O 2.91Å; Y1033-R1401 CarbonylContact O-C 3.2Å; Y1033-R1401 WeakPolarHBondContact O-CB 3.41Å; Y1033-Q1402 PolarHBondContact O-N 2.73Å; Y1033-F1468 WeakPolarHBondContact O-CE2 3.05Å
1034	S	31	Very low	34.4	Very low	5 Å²	5	89 Å²	89	4%	0.035	45%	0.451	C	S	.	.				-67.9	-178.6	-129.2	-131.5	0	0	0	0	130	D1044 R1401 F1468 Y1469 H1470	S1034-D1044 VanDerWaalsContact CB-OD1 3.23Å; S1034-D1044 WeakPolarHBondContact CB-OD1 3.42Å; S1034-D1044 PolarHBondContact N-OD1 3.25Å; S1034-D1044 PolarHBondContact OG-N 3.29Å; S1034-R1401 WeakPolarHBondContact O-CB 3.32Å; S1034-R1401 WeakPolarHBondContact O-CG 3.32Å; S1034-F1468 WeakPolarHBondContact O-CA 2.98Å; S1034-F1468 WeakPolarHBondContact O-CD1 3.46Å; S1034-Y1469 PolarHBondContact O-N 2.95Å; S1034-H1470 VanDerWaalsContact CB-NE2 3.28Å; S1034-H1470 WeakPolarHBondContact CB-NE2 3.27Å
1035	K	34.8	Very low	34.3	Very low	109 Å²	109	88.1 Å²	88.1	47%	0.474	43%	0.434	S	S	.	.			trans	-64.7	175.6	-152.3	-129.2	174.2	-170.3	168	0	119.9	Y1469 H1470	K1035-Y1469 CarbonylContact O-C 3.58Å; K1035-Y1469 WeakPolarHBondContact O-CA 3.34Å; K1035-Y1469 PolarHBondContact O-N 3.06Å; K1035-H1470 WeakPolarHBondContact O-CA 3.4Å; K1035-H1470 PolarHBondContact O-N 3.02Å; K1035-H1470 VanDerWaalsContact O-N 3.13Å
1036	R	34.1	Very low	33.7	Very low	74 Å²	74	81.1 Å²	81.1	28%	0.279	41%	0.406	S	S	.	.			trans	-37.3	142.1	175.6	-54.3	-177.5	-42.7	-137.2	14.2	118	S1396 T1398 R1399 Y1469 H1470 K1471	R1036-S1396 PolarHBondContact NH1-O 2.91Å; R1036-S1396 PolarHBondContact NH1-OG 2.88Å; R1036-T1398 WeakPolarHBondContact CD-O 3.16Å; R1036-T1398 WeakPolarHBondContact CG-O 2.97Å; R1036-R1399 HydrophobicContact CG-CB 3.82Å; R1036-Y1469 VanDerWaalsContact C-C 3.42Å; R1036-Y1469 CarbonylContact C-O 3.04Å; R1036-H1470 VanDerWaalsContact C-CA 3.49Å; R1036-H1470 CarbonylContact O-C 3.44Å; R1036-H1470 WeakPolarHBondContact O-CA 3.13Å; R1036-H1470 PolarHBondContact O-N 2.75Å; R1036-K1471 PolarHBondContact O-N 3.16Å
1037	Y	36	Very low	33.2	Very low	158 Å²	158	83.1 Å²	83.1	62%	0.62	40%	0.401	S	S	*	.			trans	-86.6	169.1	168.9	-101	-40	0	0	0	112.6	Y1469 H1470	Y1037-Y1469 WeakPolarHBondContact CB-O 3Å; Y1037-Y1469 WeakPolarHBondContact CD2-O 3.46Å; Y1037-Y1469 VanDerWaalsContact CG-C 3.41Å; Y1037-Y1469 VanDerWaalsContact CG-O 3.28Å; Y1037-Y1469 VanDerWaalsContact CZ-CB 3.44Å; Y1037-Y1469 VanDerWaalsContact N-C 3.34Å; Y1037-Y1469 PolarHBondContact N-O 3.47Å; Y1037-H1470 HydrophobicContact CD1-CB 4.43Å; Y1037-H1470 HydrophobicContact CE1-CB 4.49Å
1038	S	33.8	Very low	32.5	Very low	74 Å²	74	86.9 Å²	86.9	52%	0.517	40%	0.403	S	S	.	.	S	Bend	cis	-146.9	154.2	-17	-143.4	0	0	0	0	106.4
1039	K	34.7	Very low	32.1	Very low	180 Å²	180	86 Å²	86	78%	0.783	39%	0.394	S	S	*	.	S	Bend	cis	-121.2	108	20.2	-72.7	-176.5	174	-178.9	0	114.6
1040	G	32	Very low	31.7	Very low	13 Å²	13	90.6 Å²	90.6	13%	0.134	41%	0.408	C	S	.	.			trans	79	144.4	151.8	0	0	0	0	0	115.2	H1470 K1471 R1472	G1040-H1470 PolarHBondContact N-O 2.84Å; G1040-K1471 VanDerWaalsContact C-CB 3.46Å; G1040-K1471 WeakPolarHBondContact O-CB 3.42Å; G1040-R1472 WeakPolarHBondContact O-CB 3.23Å; G1040-R1472 WeakPolarHBondContact O-CD 3.32Å; G1040-R1472 WeakPolarHBondContact O-CG 3.48Å; G1040-R1472 PolarHBondContact O-NE 3.21Å; G1040-R1472 PolarHBondContact O-NH1 2.92Å
1041	S	35.3	Very low	31.7	Very low	3 Å²	3	94 Å²	94	2%	0.021	42%	0.418	C	S	.	.			cis	-167.8	141.5	10.9	73.7	0	0	0	0	110.2	K1471 R1472	S1041-K1471 VanDerWaalsContact N-CB 3.27Å; S1041-K1471 WeakPolarHBondContact O-CD 3.01Å; S1041-K1471 WeakPolarHBondContact O-CE 2.39Å; S1041-K1471 PolarHBondContact O-NZ 3.39Å; S1041-R1472 VanDerWaalsContact N-CZ 3.34Å; S1041-R1472 VanDerWaalsContact N-NH1 3.14Å; S1041-R1472 PolarHBondContact O-NH2 3.29Å; S1041-R1472 PolarHBondContact OG-NH1 3.07Å; S1041-R1472 PolarHBondContact OG-NH2 2.87Å
1042	E	36.9	Very low	31.5	Very low	78 Å²	78	94.3 Å²	94.3	36%	0.364	43%	0.431	S	S	.	.			trans	58.6	163.5	171.6	-58.1	70.4	-105.9	0	0	119.7	H1470 K1471	E1042-H1470 VanDerWaalsContact CA-CE1 3.48Å; E1042-H1470 WeakPolarHBondContact CA-CE1 3.2Å; E1042-H1470 VanDerWaalsContact CA-NE2 3.31Å; E1042-H1470 WeakPolarHBondContact CA-NE2 3.25Å; E1042-H1470 PolarHBondContact O-CE1 2.81Å; E1042-K1471 VanDerWaalsContact O-CD 3.28Å; E1042-K1471 WeakPolarHBondContact O-CD 3.43Å; E1042-K1471 VanDerWaalsContact O-CE 3.26Å; E1042-K1471 WeakPolarHBondContact O-CE 2.51Å; E1042-K1471 PolarHBondContact O-NZ 2.67Å
1043	Q	37	Very low	31.5	Very low	102 Å²	102	98.3 Å²	98.3	48%	0.477	46%	0.46	S	S	.	.				-156.4	141.1	-57.1	-107.8	163.4	-44.2	0	0	105.2	H1470	Q1043-H1470 WeakPolarHBondContact CA-NE2 3.11Å
1044	D	33.5	Very low	31.8	Very low	73 Å²	73	100.1 Å²	100.1	39%	0.39	49%	0.489	S	S	.	.				97.7	158.8	121.8	-73.2	22.8	0	0	0	114.3	Y1033 S1034	Y1033-D1044 WeakPolarHBondContact CB-OD1 3.38Å; Y1033-D1044 HydrophobicContact CD1-CB 4.18Å; Y1033-D1044 VanDerWaalsContact CD1-OD1 3.27Å; Y1033-D1044 WeakPolarHBondContact CD1-OD1 3.44Å; S1034-D1044 VanDerWaalsContact CB-OD1 3.23Å; S1034-D1044 WeakPolarHBondContact CB-OD1 3.42Å; S1034-D1044 PolarHBondContact N-OD1 3.25Å; S1034-D1044 PolarHBondContact OG-N 3.29Å
1045	Y	35	Very low	31.9	Very low	77 Å²	77	104.5 Å²	104.5	30%	0.302	52%	0.52	S	S	.	.			cis	-127.9	-139.5	-16.1	-143.9	-88.5	0	0	0	112.4	Y1033 V1404 G1405 T1406 S1407	Y1033-Y1045 HydrophobicContact CD2-CD1 4.1Å; Y1033-Y1045 HydrophobicContact CD2-CD2 4.24Å; Y1033-Y1045 HydrophobicContact CD2-CE1 4.23Å; Y1033-Y1045 HydrophobicContact CD2-CE2 4.39Å; Y1033-Y1045 HydrophobicContact CD2-CG 4.06Å; Y1033-Y1045 WeakPolarHBondContact CE2-O 3.2Å; Y1033-Y1045 HydrophobicContact CG-CD2 4.01Å; Y1033-Y1045 HydrophobicContact CG-CE2 4.14Å; Y1033-Y1045 HydrophobicContact CG-CG 4.24Å; Y1033-Y1045 PolarHBondContact OH-O 3.12Å; Y1045-V1404 PolarHBondContact OH-O 2.75Å; Y1045-G1405 PolarHBondContact OH-O 3.1Å; Y1045-G1405 VanDerWaalsContact OH-O 3.07Å; Y1045-T1406 PolarHBondContact OH-O 2.96Å; Y1045-S1407 WeakPolarHBondContact CE1-O 3.36Å; Y1045-S1407 PolarHBondContact OH-N 3.24Å
1046	Y	32.2	Very low	31.8	Very low	69 Å²	69	110.5 Å²	110.5	27%	0.271	54%	0.539	S	S	.	.			trans	-144.9	141	-151.7	-145.3	-8	0	0	0	118.1	Y1033 R1400	Y1033-Y1046 AromaticContact CD2-CD2 3.92Å; Y1033-Y1046 HydrophobicContact CD2-CD2 3.92Å; Y1033-Y1046 HydrophobicContact CD2-CG 4.03Å; Y1033-Y1046 VanDerWaalsContact CE2-CB 3.47Å; Y1033-Y1046 HydrophobicContact CE2-CD1 4.13Å; Y1033-Y1046 AromaticContact CE2-CD2 3.8Å; Y1033-Y1046 HydrophobicContact CE2-CD2 3.8Å; Y1033-Y1046 AromaticContact CE2-CG 3.54Å; Y1033-Y1046 HydrophobicContact CE2-CG 3.54Å; Y1046-R1400 PolarHBondContact OH-NE 2.73Å; Y1046-R1400 PolarHBondContact OH-NH2 3.02Å
1047	W	27.5	Very low	31.8	Very low	158 Å²	158	110.8 Å²	110.8	60%	0.598	57%	0.566	S	S	*	*			trans	73.2	122.4	156.2	-69.7	132.6	0	0	0	121.3
1048	R	27.4	Very low	31.7	Very low	191 Å²	191	108.9 Å²	108.9	72%	0.721	57%	0.57	S	S	*	*			trans	52.6	130.6	136.9	-53.2	179.8	-166.8	-117.5	5.4	118.2
1049	Q	28.2	Very low	31.4	Very low	124 Å²	124	116.1 Å²	116.1	58%	0.579	59%	0.586	S	S	*	*				-132.2	-117.1	52	-90.6	-171.2	74	0	0	117.3	D1388	Q1049-D1388 WeakPolarHBondContact CB-OD2 3.39Å; Q1049-D1388 PolarHBondContact N-OD1 3.42Å
1050	Y	25.5	Very low	31.2	Very low	158 Å²	158	114 Å²	114	62%	0.62	59%	0.588	S	S	*	*			trans	-107.9	163.1	-142.8	-87.8	-85.4	0	0	0	115.4	D1388	Y1050-D1388 PolarHBondContact N-OD2 3.05Å
1051	Y	27.9	Very low	31	Very low	188 Å²	188	115.7 Å²	115.7	74%	0.737	61%	0.606	S	S	*	*			trans	129.4	157.1	147.5	-79.4	-73.4	0	0	0	114.1
1052	G	26.8	Very low	30.6	Very low	68 Å²	68	124.6 Å²	124.6	70%	0.701	65%	0.647	S	S	*	*			trans	99.9	117	142.1	0	0	0	0	0	118.5
1053	S	27.2	Very low	30.1	Very low	127 Å²	127	125.9 Å²	125.9	89%	0.888	66%	0.664	S	S	*	*			trans	-31.4	130.9	142.3	-177.6	0	0	0	0	113.9
1054	G	32	Very low	30	Very low	74 Å²	74	125.8 Å²	125.8	76%	0.763	68%	0.681	S	S	*	*			trans	-154.2	24.6	-167.8	0	0	0	0	0	118.9
1055	S	33.4	Very low	29.7	Very low	96 Å²	96	125.2 Å²	125.2	67%	0.671	69%	0.692	S	S	*	*			trans	25.7	126	153.3	-76.7	0	0	0	0	123.3
1056	R	31.2	Very low	29.3	Very low	235 Å²	235	129.1 Å²	129.1	89%	0.887	72%	0.715	S	S	*	*			trans	84.7	81.2	138.4	-62.4	171.6	-177.3	-165.3	0.6	121.7
1057	G	33.7	Very low	28.9	Very low	81 Å²	81	132.3 Å²	132.3	84%	0.835	74%	0.737	S	S	*	*				87	-169.3	119.1	0	0	0	0	0	119.2
1058	V	34.3	Very low	29.2	Very low	117 Å²	117	130.9 Å²	130.9	71%	0.709	74%	0.74	S	S	*	*			cis	-141.8	133.7	7.1	177.8	0	0	0	0	111.9
1059	R	28.4	Very low	29.3	Very low	227 Å²	227	126.1 Å²	126.1	86%	0.857	73%	0.729	S	S	*	*			trans	58.9	139	158.2	-72.4	169.5	-165.9	-118.6	-1.1	121.7
1060	T	30.3	Very low	29.2	Very low	134 Å²	134	126.4 Å²	126.4	82%	0.822	73%	0.73	S	S	*	*			trans	52	136	135.9	-47.7	0	0	0	0	119.5
1061	G	26.6	Very low	29.7	Very low	49 Å²	49	124.7 Å²	124.7	51%	0.505	72%	0.723	S	S	.	*			cis	153.6	162.2	2.8	0	0	0	0	0	109.6
1062	H	27.8	Very low	29.7	Very low	190 Å²	190	122.5 Å²	122.5	88%	0.88	72%	0.717	S	S	*	*			trans	63.2	159.4	-155	-45.8	-85.4	0	0	0	110.9
1063	S	27.3	Very low	30	Very low	105 Å²	105	125.5 Å²	125.5	73%	0.734	72%	0.717	S	S	*	*			cis	-163.3	174.6	-20	40.6	0	0	0	0	107.2
1064	A	33.1	Very low	30.2	Very low	100 Å²	100	127.9 Å²	127.9	83%	0.826	71%	0.714	S	S	*	*			trans	63.3	172.7	-178.3	0	0	0	0	0	113.4
1065	G	27.9	Very low	30	Very low	61 Å²	61	129.1 Å²	129.1	63%	0.629	71%	0.711	S	S	*	*			cis	-101.6	-177	-11	0	0	0	0	0	113.1
1066	M	26.7	Very low	29.8	Very low	160 Å²	160	130 Å²	130	79%	0.788	71%	0.708	S	S	*	*			cis	55.2	111.8	41.7	-56.6	-179.7	70.3	0	0	109.7
1067	N	23.6	Very low	29.9	Very low	135 Å²	135	125 Å²	125	72%	0.722	70%	0.699	S	S	*	*				62.3	145.5	67	-168.2	36	0	0	0	111.4
1068	I	33.7	Very low	30.6	Very low	129 Å²	129	128.1 Å²	128.1	66%	0.662	70%	0.697	S	S	*	*			trans	72.4	109.7	-173.8	-54.1	171.5	0	0	0	111.4
1069	D	30.6	Very low	30.4	Very low	91 Å²	91	129.3 Å²	129.3	49%	0.487	70%	0.698	S	S	.	*			cis	-151.1	164	-2.1	-121	2.7	0	0	0	110.2
1070	Q	26.2	Very low	30.5	Very low	129 Å²	129	126.1 Å²	126.1	60%	0.603	69%	0.69	S	S	*	*				37.3	133.6	88.4	-45.8	-178.5	71.1	0	0	113.2
1071	Y	35.1	Very low	30.5	Very low	123 Å²	123	128.6 Å²	128.6	48%	0.482	69%	0.686	S	S	.	*			cis	-136.4	141.3	37.1	-96.2	-95.5	0	0	0	114.8
1072	K	28	Very low	30.8	Very low	141 Å²	141	136.6 Å²	136.6	61%	0.613	70%	0.701	S	S	*	*			trans	27.7	114.1	141.3	-65.4	-175.3	-178.5	-175.1	0	118.3
1073	N	32.5	Very low	31.1	Very low	131 Å²	131	132.9 Å²	132.9	70%	0.701	69%	0.693	S	S	*	*			trans	75.5	138.7	149.4	-42.2	-16.9	0	0	0	114.4
1074	H	31.5	Very low	31.1	Very low	177 Å²	177	133.4 Å²	133.4	82%	0.819	70%	0.697	S	S	*	*			cis	-129.6	-177.4	20.9	-77.8	-96.5	0	0	0	114.2
1075	S	28.4	Very low	31.2	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	69%	0.688	S	S	*	*			trans	-14.1	151.8	158.5	-122.2	0	0	0	0	120.5
1076	N	29.4	Very low	31.3	Very low	114 Å²	114	141.8 Å²	141.8	61%	0.61	69%	0.694	S	S	*	*			trans	75.8	134.2	150.4	-72	53.5	0	0	0	119.6
1077	D	33.6	Very low	31.5	Very low	129 Å²	129	142.5 Å²	142.5	69%	0.69	70%	0.696	S	S	*	*				46	129.2	128	-38.1	-20.4	0	0	0	118.5
1078	D	46.6	Very low	31.9	Very low	147 Å²	147	140.4 Å²	140.4	79%	0.786	70%	0.697	S	S	*	*			cis	-159.9	-137.9	9.2	-141	-35.6	0	0	0	109.3
1079	I	30.2	Very low	31.8	Very low	142 Å²	142	139.6 Å²	139.6	73%	0.728	70%	0.703	S	S	*	*			trans	90.8	92.9	150.4	-49.3	169.4	0	0	0	118
1080	F	30.9	Very low	31.9	Very low	161 Å²	161	146.8 Å²	146.8	71%	0.706	72%	0.723	S	S	*	*				44.7	126.5	113	-92	-108.9	0	0	0	123.2
1081	Y	31.8	Very low	32.2	Very low	186 Å²	186	145.5 Å²	145.5	73%	0.729	73%	0.728	S	S	*	*			trans	71.7	162.8	136.7	-84.3	-158.7	0	0	0	118.9
1082	R	31	Very low	31.9	Very low	217 Å²	217	146.8 Å²	146.8	82%	0.819	74%	0.742	S	S	*	*			cis	-142.8	171.1	6.5	-120.7	-147.1	179.7	167	1.6	111
1083	P	34.4	Very low	32.1	Very low	111 Å²	111	145.5 Å²	145.5	72%	0.721	75%	0.746	S	S	*	*			trans	-95.1	169.9	176.6	39	-35.7	0	0	0	114
1084	S	28.9	Very low	32.1	Very low	117 Å²	117	145 Å²	145	82%	0.818	75%	0.753	S	S	*	*				-175.9	146.1	125.8	-167.9	0	0	0	0	113.8
1085	E	33.4	Very low	32.3	Very low	136 Å²	136	139.9 Å²	139.9	64%	0.636	75%	0.748	S	S	*	*			trans	-72.3	-173.7	156.1	-56.5	-174.1	129.6	0	0	110
1086	R	31.8	Very low	32.4	Very low	201 Å²	201	140.9 Å²	140.9	76%	0.758	76%	0.755	S	S	*	*			cis	-174	175.1	29.6	-157	177.9	-110.5	-141.9	-12	112.8
1087	Q	30.1	Very low	32.3	Very low	175 Å²	175	141.1 Å²	141.1	82%	0.818	75%	0.751	S	S	*	*			trans	90.7	109.3	151.7	-67.4	-178.3	-2.6	0	0	120.8
1088	A	32.6	Very low	32.3	Very low	90 Å²	90	140.5 Å²	140.5	74%	0.744	75%	0.752	S	S	*	*				-142	120.9	105.7	0	0	0	0	0	107.4
1089	S	30.8	Very low	31.6	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	75%	0.747	S	S	*	*				67.6	118.1	94.1	-52.5	0	0	0	0	113.5
1090	R	32	Very low	31.7	Very low	243 Å²	243	137.4 Å²	137.4	92%	0.917	75%	0.751	S	S	*	*			cis	-130.3	-177.6	-2	-58.8	179.1	175	174.3	-2.6	107.7
1091	S	33	Very low	31.7	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	76%	0.755	S	S	*	*			cis	-133.6	-155.1	4.1	40.3	0	0	0	0	109.1
1092	I	29.5	Very low	31.6	Very low	150 Å²	150	129 Å²	129	77%	0.769	75%	0.748	S	S	*	*			cis	63.8	139.4	17.8	9.9	177.9	0	0	0	115.8
1093	T	32.6	Very low	31.3	Very low	114 Å²	114	128.1 Å²	128.1	70%	0.699	75%	0.746	S	S	*	*			cis	-137.5	148.2	1.2	-48.8	0	0	0	0	111.1
1094	S	32.8	Very low	31.1	Very low	120 Å²	120	131.3 Å²	131.3	84%	0.839	75%	0.749	S	S	*	*	S	Bend	trans	60.8	144.7	160.7	51.1	0	0	0	0	120.7
1095	G	33.8	Very low	31	Very low	70 Å²	70	129 Å²	129	72%	0.722	74%	0.743	S	S	*	*			trans	106.2	23.6	156.2	0	0	0	0	0	118.8	F1097	G1095-F1097 VanDerWaalsContact C-N 3.32Å; G1095-F1097 PolarHBondContact O-N 2.89Å
1096	S	30.4	Very low	30.7	Very low	122 Å²	122	125.4 Å²	125.4	85%	0.853	74%	0.743	S	S	*	*			trans	-75	66.2	-171.6	-176.8	0	0	0	0	116.6
1097	F	28.8	Very low	30.5	Very low	119 Å²	119	123 Å²	123	52%	0.522	73%	0.734	S	S	.	*				-136.8	119.1	127.7	-99.1	-81.7	0	0	0	105.2	G1095 N1344	G1095-F1097 VanDerWaalsContact C-N 3.32Å; G1095-F1097 PolarHBondContact O-N 2.89Å; F1097-N1344 HydrophobicContact CD1-CB 4.28Å; F1097-N1344 HydrophobicContact CE1-CB 3.64Å; F1097-N1344 HydrophobicContact CZ-CB 4.31Å; F1097-N1344 VanDerWaalsContact CZ-N 3.28Å
1098	T	32.7	Very low	30.6	Very low	116 Å²	116	122 Å²	122	71%	0.712	73%	0.731	S	S	*	*				-163.6	141.5	71.6	34.3	0	0	0	0	110.8
1099	G	31.9	Very low	30.5	Very low	66 Å²	66	120.6 Å²	120.6	68%	0.68	71%	0.714	S	S	*	*			trans	-78.4	130.8	151.8	0	0	0	0	0	107.6
1100	I	33.2	Very low	30.4	Very low	157 Å²	157	123.6 Å²	123.6	81%	0.805	71%	0.708	S	S	*	*				50.7	82.1	50.4	-48.6	178.3	0	0	0	107.5
1101	S	30.5	Very low	30.2	Very low	114 Å²	114	115.3 Å²	115.3	80%	0.797	69%	0.687	S	S	*	*			cis	68.7	109.6	39.1	-162.2	0	0	0	0	113.8
1102	G	28.7	Very low	29.8	Very low	57 Å²	57	114.2 Å²	114.2	59%	0.588	67%	0.668	S	S	*	*			trans	100.3	149.8	154.6	0	0	0	0	0	117.3
1103	Y	25.8	Very low	29.6	Very low	198 Å²	198	108.8 Å²	108.8	78%	0.776	65%	0.646	S	S	*	*			trans	72.9	154.8	141.1	-61.2	-56.3	0	0	0	119.3
1104	F	30.6	Very low	29.3	Very low	179 Å²	179	106.4 Å²	106.4	79%	0.785	63%	0.626	S	S	*	*			cis	-133.7	163.4	-12.3	-102	-59.2	0	0	0	105.5
1105	G	26.4	Very low	29.1	Very low	67 Å²	67	111.4 Å²	111.4	69%	0.691	63%	0.628	S	S	*	*			cis	93.4	89.3	22.5	0	0	0	0	0	111.2
1106	G	27.6	Very low	28.8	Very low	62 Å²	62	114.3 Å²	114.3	64%	0.639	62%	0.623	S	S	*	*			trans	105	121.3	-171.9	0	0	0	0	0	111.2
1107	R	26.9	Very low	28.7	Very low	151 Å²	151	113 Å²	113	57%	0.57	61%	0.614	S	S	*	*				69.8	105.3	65.2	-67	167.4	174.4	-71.3	6.3	112.3	E1310	R1107-E1310 VanDerWaalsContact CD-OE1 3.27Å; R1107-E1310 WeakPolarHBondContact CD-OE1 3.22Å; R1107-E1310 VanDerWaalsContact CZ-O 3.3Å; R1107-E1310 IonicContact CZ-OE1 2.75Å; R1107-E1310 IonicContact NE-OE1 3.54Å; R1107-E1310 PolarHBondContact NH1-O 3.28Å; R1107-E1310 IonicContact NH1-OE1 2.82Å; R1107-E1310 PolarHBondContact NH1-OE1 3.33Å; R1107-E1310 IonicContact NH1-OE2 3.76Å; R1107-E1310 PolarHBondContact NH1-OE2 3.13Å; R1107-E1310 VanDerWaalsContact NH1-OE2 3.1Å; R1107-E1310 PolarHBondContact NH2-O 2.84Å
1108	M	31.4	Very low	28.8	Very low	152 Å²	152	111 Å²	111	75%	0.749	62%	0.615	S	S	*	*				-156.7	123.1	101.9	-105.2	176.1	-173.9	0	0	112.7
1109	T	30.8	Very low	28.7	Very low	61 Å²	61	112 Å²	112	37%	0.374	61%	0.606	S	S	.	*			trans	30	130.8	143.2	59.8	0	0	0	0	121.7	D1309 E1310	T1109-D1309 HydrophobicContact CG2-CB 4.41Å; T1109-E1310 HydrophobicContact CG2-CG 4.17Å
1110	R	29.4	Very low	28.8	Very low	176 Å²	176	114.2 Å²	114.2	66%	0.664	60%	0.602	S	S	*	*			trans	71.7	129.2	146.7	-68.7	168	-173	-127.8	-7.1	117.5	Y1307 D1309	R1110-Y1307 HydrophobicContact CG-CE1 3.86Å; R1110-D1309 IonicContact CZ-OD2 3.47Å; R1110-D1309 IonicContact NE-OD2 3.1Å; R1110-D1309 PolarHBondContact NE-OD2 3.41Å; R1110-D1309 IonicContact NH2-OD2 2.75Å; R1110-D1309 PolarHBondContact NH2-OD2 3.08Å
1111	S	27.1	Very low	28.7	Very low	69 Å²	69	114.3 Å²	114.3	48%	0.483	60%	0.599	S	S	.	*			cis	-160.7	127.4	7.8	-100.7	0	0	0	0	114.2	R1306 Y1307	S1111-R1306 PolarHBondContact OG-NH1 3.19Å; S1111-Y1307 PolarHBondContact OG-OH 2.9Å
1112	Y	24.8	Very low	28.7	Very low	78 Å²	78	115.2 Å²	115.2	31%	0.306	60%	0.595	S	S	.	*			trans	70.7	143.9	161.5	-127.1	-18.7	0	0	0	115.2	D1305 R1306 S1552	Y1112-D1305 WeakPolarHBondContact CD1-O 3.45Å; Y1112-D1305 WeakPolarHBondContact CE1-O 2.94Å; Y1112-R1306 HydrophobicContact CD1-CB 4.3Å; Y1112-R1306 HydrophobicContact CD1-CG 3.65Å; Y1112-R1306 VanDerWaalsContact CD2-NE 3.3Å; Y1112-R1306 HydrophobicContact CE1-CB 4.2Å; Y1112-R1306 HydrophobicContact CE1-CG 4.06Å; Y1112-R1306 HydrophobicContact CG-CG 3.97Å; Y1112-R1306 VanDerWaalsContact CG-NE 3.32Å; Y1112-S1552 VanDerWaalsContact CD2-OG 3.27Å; Y1112-S1552 WeakPolarHBondContact CD2-OG 3.25Å; Y1112-S1552 WeakPolarHBondContact CE2-OG 3.24Å
1113	A	26.1	Very low	29	Very low	37 Å²	37	121.1 Å²	121.1	31%	0.306	60%	0.604	S	S	.	*	S	Bend	trans	61.3	90	131.8	0	0	0	0	0	119.9	R1304	A1113-R1304 VanDerWaalsContact CA-NE 3.28Å; A1113-R1304 HydrophobicContact CB-CB 3.94Å; A1113-R1304 HydrophobicContact CB-CG 4.08Å; A1113-R1304 PolarHBondContact O-NE 3.48Å; A1113-R1304 PolarHBondContact O-NH2 2.84Å
1114	Q	25.7	Very low	29.4	Very low	63 Å²	63	116.4 Å²	116.4	29%	0.294	59%	0.593	S	S	.	*			trans	24	116.2	164.9	-62.2	160.9	-98	0	0	118.9	E1116 E1302 R1304	Q1114-E1116 PolarHBondContact NE2-OE2 3.32Å; Q1114-E1302 PolarHBondContact NE2-OE1 3.26Å; Q1114-E1302 VanDerWaalsContact OE1-CD 3.22Å; Q1114-E1302 PolarHBondContact OE1-OE1 3.1Å; Q1114-R1304 HydrophobicContact CG-CG 3.87Å; Q1114-R1304 PolarHBondContact O-NH2 2.75Å; Q1114-R1304 VanDerWaalsContact OE1-CG 3.27Å; Q1114-R1304 VanDerWaalsContact OE1-NE 3.1Å
1115	Y	28.1	Very low	29.6	Very low	225 Å²	225	114.9 Å²	114.9	88%	0.882	59%	0.592	S	S	*	*				-132.1	140.5	122.3	-90.3	-104.6	0	0	0	104.4
1116	E	26.8	Very low	30.2	Very low	131 Å²	131	118.9 Å²	118.9	61%	0.612	60%	0.598	S	S	*	*			cis	53.6	72.1	2.9	-81.1	-160.2	130.2	0	0	116.3	Q1114	Q1114-E1116 PolarHBondContact NE2-OE2 3.32Å
1117	S	28.7	Very low	30.4	Very low	94 Å²	94	118.7 Å²	118.7	66%	0.657	59%	0.587	S	S	*	*				-176.5	166.2	97.5	-102.6	0	0	0	0	110.8
1118	S	31.6	Very low	30.7	Very low	78 Å²	78	116.9 Å²	116.9	55%	0.545	59%	0.585	S	S	.	*			cis	-179.9	121.2	-31.7	-88.6	0	0	0	0	107.6
1119	R	31.2	Very low	30.7	Very low	137 Å²	137	114.9 Å²	114.9	52%	0.517	57%	0.569	S	S	.	*			trans	61.1	152.3	175.8	-81.6	-167.6	171.5	122.5	16.5	115.7	T396 I1294 H1295	T396-R1119 PolarHBondContact O-NH2 3.03Å; R1119-I1294 PolarHBondContact NH2-O 2.98Å; R1119-H1295 PolarHBondContact NH1-O 3.5Å
1120	D	32.9	Very low	30.6	Very low	113 Å²	113	117.1 Å²	117.1	60%	0.604	57%	0.572	S	S	*	*			cis	-142.6	179.6	2.9	-102.9	-37.4	0	0	0	110.7
1121	Q	31.6	Very low	30.9	Very low	158 Å²	158	112.3 Å²	112.3	74%	0.738	56%	0.562	S	S	*	*			trans	98.4	111.6	166.5	-60.5	-80.1	-35.5	0	0	119
1122	N	30.1	Very low	31.2	Very low	133 Å²	133	111.5 Å²	111.5	71%	0.711	55%	0.554	S	S	*	*			trans	73.6	132.6	151.3	-75.1	-61.2	0	0	0	122.5
1123	K	36.1	Very low	31.5	Very low	181 Å²	181	113.8 Å²	113.8	79%	0.787	57%	0.571	S	S	*	*			trans	66.7	89	163.2	-64.8	-164	173.5	-167.6	0	119.6
1124	D	32.6	Very low	31.9	Very low	100 Å²	100	113.3 Å²	113.3	54%	0.535	57%	0.571	S	S	.	*				36.7	107.9	113.7	-39.6	-41.8	0	0	0	118.7
1125	L	36.8	Very low	32.3	Very low	147 Å²	147	119.9 Å²	119.9	77%	0.77	59%	0.592	S	S	*	*				-173.9	150	99.6	-96.6	166.4	0	0	0	113.1
1126	D	38.7	Very low	32.5	Very low	151 Å²	151	115.8 Å²	115.8	81%	0.807	58%	0.581	S	S	*	*			trans	45.8	91.7	165.8	-69.5	-3	0	0	0	120.9
1127	S	31.7	Very low	32.8	Very low	58 Å²	58	117.7 Å²	117.7	41%	0.406	59%	0.592	S	S	.	*			trans	-74.1	123.7	163.3	48.3	0	0	0	0	115.1	H397 S1292	H397-S1127 VanDerWaalsContact CE1-CB 3.41Å; H397-S1127 WeakPolarHBondContact CE1-CB 3.45Å; S1127-S1292 WeakPolarHBondContact CB-OG 3.05Å
1128	Q	33.3	Very low	33.1	Very low	113 Å²	113	124 Å²	124	53%	0.528	60%	0.602	S	S	.	*			trans	-134.2	125.6	144.1	-93	-67.1	-14.6	0	0	109.5
1129	Y	29.8	Very low	33.3	Very low	110 Å²	110	125.2 Å²	125.2	43%	0.431	61%	0.608	S	S	.	*			trans	-173	144.6	135.2	-105.6	-65.3	0	0	0	111.9	L399 Q400	L399-Y1129 HydrophobicContact CD2-CD2 3.47Å; L399-Y1129 VanDerWaalsContact CD2-CD2 3.47Å; L399-Y1129 HydrophobicContact CD2-CE2 4.16Å; L399-Y1129 HydrophobicContact CD2-CG 4.26Å; Q400-Y1129 HydrophobicContact CG-CD1 3.56Å; Q400-Y1129 HydrophobicContact CG-CD2 3.73Å; Q400-Y1129 HydrophobicContact CG-CE1 3.96Å; Q400-Y1129 HydrophobicContact CG-CE2 4.13Å; Q400-Y1129 HydrophobicContact CG-CG 3.45Å; Q400-Y1129 VanDerWaalsContact CG-CG 3.45Å
1130	Y	29.6	Very low	33.4	Very low	107 Å²	107	125.3 Å²	125.3	42%	0.42	61%	0.614	S	S	.	*			trans	-104.3	121	-173.4	-112.6	-103.6	0	0	0	113.2	S401 R402	S401-Y1130 CarbonylContact C-O 3.45Å; S401-Y1130 WeakPolarHBondContact CA-O 3.08Å; R402-Y1130 PolarHBondContact N-O 2.9Å
1131	V	35.1	Very low	33.3	Very low	75 Å²	75	122.9 Å²	122.9	46%	0.455	60%	0.598	S	S	.	*			trans	65.5	135.7	132.9	172	0	0	0	0	121.2	S401	S401-V1131 CarbonylContact C-O 3.24Å
1132	T	34.2	Very low	33.6	Very low	52 Å²	52	118.7 Å²	118.7	32%	0.319	58%	0.58	S	S	.	*				-172.5	159.5	123.5	21.7	0	0	0	0	110.1	T2342 P2343	T1132-T2342 CarbonylContact C-O 3.31Å; T1132-T2342 CarbonylContact O-C 3.1Å; T1132-T2342 VanDerWaalsContact O-O 3.06Å; T1132-P2343 VanDerWaalsContact OG1-CB 3.22Å; T1132-P2343 WeakPolarHBondContact OG1-CB 2.97Å
1133	N	31	Very low	33.5	Very low	126 Å²	126	117.1 Å²	117.1	67%	0.674	56%	0.564	S	S	*	*			trans	-134.6	142.2	-154.1	-54.6	17.1	0	0	0	115.6	T2342	N1133-T2342 CarbonylContact C-O 3.35Å; N1133-T2342 WeakPolarHBondContact CA-O 3.12Å; N1133-T2342 PolarHBondContact N-O 2.78Å
1134	G	34.1	Very low	33.8	Very low	28 Å²	28	117.8 Å²	117.8	29%	0.289	56%	0.563	S	S	.	*			trans	133.9	153.7	171.2	0	0	0	0	0	112.7	T2342	G1134-T2342 PolarHBondContact N-O 3.06Å; G1134-T2342 CarbonylContact O-C 3.56Å; G1134-T2342 VanDerWaalsContact O-O 3.05Å
1135	R	35.3	Very low	34.3	Very low	200 Å²	200	117.9 Å²	117.9	76%	0.755	57%	0.572	S	S	*	*			cis	-159.4	168.1	10.6	-82	-175.2	175.4	-129.9	12.6	107.2
1136	Q	31.4	Very low	34.6	Very low	139 Å²	139	118.8 Å²	118.8	65%	0.65	57%	0.572	S	S	*	*			cis	-168.1	-169	-13.7	-106.5	175	-26.6	0	0	108.2
1137	M	32.9	Very low	34.4	Very low	171 Å²	171	116.9 Å²	116.9	84%	0.842	56%	0.556	S	S	*	*			trans	91.9	84.7	160.7	-48.1	-52.3	-82.2	0	0	119.2
1138	R	35.2	Very low	34.3	Very low	228 Å²	228	116.2 Å²	116.2	86%	0.86	56%	0.558	S	S	*	*			trans	-54.6	169.9	133.1	-99.8	177.2	175	169.5	-2.7	110.9
1139	P	36.9	Very low	34.2	Very low	103 Å²	103	114 Å²	114	67%	0.669	55%	0.548	S	S	*	.			cis	-152.5	158.1	37.5	41.6	-20.8	0	0	0	120.8
1140	Q	32.3	Very low	34.5	Very low	139 Å²	139	116.5 Å²	116.5	65%	0.65	56%	0.562	S	S	*	*			trans	59.3	166.4	142.2	-71.2	-176.1	34.9	0	0	119.3
1141	K	30.9	Very low	34.3	Very low	62 Å²	62	114 Å²	114	27%	0.27	56%	0.559	S	S	.	*			cis	-120.7	170	-13.4	-119.8	159.6	-170.4	-175	0	107.2	S374 P2366 D2367	S374-K1141 PolarHBondContact OG-NZ 3.32Å; K1141-P2366 VanDerWaalsContact CB-C 3.42Å; K1141-P2366 WeakPolarHBondContact CB-O 3.35Å; K1141-P2366 WeakPolarHBondContact CD-O 3.19Å; K1141-D2367 PolarHBondContact N-O 3.43Å
1142	M	37.9	Very low	33.9	Very low	70 Å²	70	115.8 Å²	115.8	35%	0.345	58%	0.576	S	S	.	*				-178.8	169.5	71.6	-163.2	-151.8	-131.2	0	0	110	R2365 P2366 D2367	M1142-R2365 HydrophobicContact CE-CB 3.76Å; M1142-R2365 HydrophobicContact CG-CB 3.45Å; M1142-R2365 VanDerWaalsContact CG-CB 3.45Å; M1142-R2365 HydrophobicContact CG-CG 3.87Å; M1142-R2365 HydrophobicContact SD-CB 3.95Å; M1142-R2365 HydrophobicContact SD-CG 4.41Å; M1142-R2365 VanDerWaalsContact SD-CZ 3.5Å; M1142-R2365 PolarHBondContact SD-NH2 3.25Å; M1142-P2366 HydrophobicContact CE-CB 3.96Å; M1142-D2367 WeakPolarHBondContact CB-OD1 3.35Å; M1142-D2367 WeakPolarHBondContact CE-OD2 3.36Å; M1142-D2367 VanDerWaalsContact SD-OD1 3.39Å
1143	Y	28.2	Very low	33.7	Very low	100 Å²	100	116.9 Å²	116.9	39%	0.392	59%	0.59	S	S	.	*			trans	-100.7	128.7	-179.2	-61.8	-126.8	0	0	0	113.5	P376 R2365	P376-Y1143 HydrophobicContact CB-CE1 4.39Å; P376-Y1143 HydrophobicContact CG-CD1 4.27Å; P376-Y1143 HydrophobicContact CG-CE1 4.33Å; P376-Y1143 WeakPolarHBondContact O-CE1 3.42Å; P376-Y1143 PolarHBondContact O-OH 3.49Å; Y1143-R2365 HydrophobicContact CD2-CG 4.3Å; Y1143-R2365 HydrophobicContact CG-CG 4.44Å; Y1143-R2365 VanDerWaalsContact O-CD 3.26Å; Y1143-R2365 WeakPolarHBondContact O-CD 3.45Å; Y1143-R2365 PolarHBondContact O-NE 3.17Å
1144	Y	41.6	Very low	33.8	Very low	195 Å²	195	115.9 Å²	115.9	77%	0.765	59%	0.588	S	S	*	*	S	Bend	trans	178.4	127.4	141.1	-96.5	-65.9	0	0	0	106.8	R2365	Y1144-R2365 VanDerWaalsContact CD2-NE 3.3Å; Y1144-R2365 VanDerWaalsContact CE2-CZ 3.43Å
1145	S	44.1	Very low	33.8	Very low	102 Å²	102	120 Å²	120	71%	0.713	60%	0.604	S	S	*	*			cis	-130.2	117.1	-7.8	-173.2	0	0	0	0	108.4	K1147	S1145-K1147 PolarHBondContact O-N 3.45Å
1146	H	43.1	Very low	33.8	Very low	166 Å²	166	117.5 Å²	117.5	77%	0.769	60%	0.599	S	S	*	*			trans	-97.7	94	-176.9	-79.5	-72.6	0	0	0	111.6
1147	K	34.8	Very low	33.5	Very low	110 Å²	110	114.9 Å²	114.9	48%	0.478	60%	0.596	S	S	.	*			trans	-123.3	149.2	149.3	-68.8	-174.6	179.8	178.8	0	106.5	S1145	S1145-K1147 PolarHBondContact O-N 3.45Å
1148	G	29.3	Very low	33.7	Very low	44 Å²	44	113.7 Å²	113.7	45%	0.454	59%	0.588	S	S	.	*			cis	89.9	43.7	23.1	0	0	0	0	0	110.7
1149	Q	31.5	Very low	33.4	Very low	67 Å²	67	109 Å²	109	31%	0.313	58%	0.575	S	S	.	*			trans	-152.8	136.2	168.9	-122.9	-176.5	-21.7	0	0	109.2	Q2323 N2324 G2325	Q1149-Q2323 VanDerWaalsContact NE2-C 3.31Å; Q1149-Q2323 PolarHBondContact NE2-O 3.47Å; Q1149-N2324 VanDerWaalsContact CD-N 3.35Å; Q1149-N2324 VanDerWaalsContact NE2-N 3.19Å; Q1149-N2324 PolarHBondContact NE2-O 3.24Å; Q1149-G2325 VanDerWaalsContact CG-O 3.31Å; Q1149-G2325 WeakPolarHBondContact CG-O 3.36Å
1150	F	34.8	Very low	33.1	Very low	163 Å²	163	112.9 Å²	112.9	72%	0.715	58%	0.578	S	S	*	*			trans	49.5	118.8	168.8	-50.9	-56.5	0	0	0	117.5
1151	S	26.3	Very low	33.1	Very low	53 Å²	53	112.2 Å²	112.2	37%	0.371	58%	0.583	S	S	.	*				62.1	125.1	55.8	-52.2	0	0	0	0	113.7
1152	S	25.8	Very low	33.3	Very low	114 Å²	114	112.7 Å²	112.7	80%	0.797	60%	0.599	S	S	*	*			trans	63.9	-160.5	135.5	73	0	0	0	0	117.2
1153	A	30.1	Very low	32.8	Very low	74 Å²	74	114.3 Å²	114.3	61%	0.612	62%	0.617	S	S	*	*			trans	67.4	114.9	164.9	0	0	0	0	0	117.1
1154	T	32.8	Very low	33.1	Very low	106 Å²	106	115.1 Å²	115.1	65%	0.65	63%	0.628	S	S	*	*	S	Bend	trans	59.3	107.6	140.1	56	0	0	0	0	117.3
1155	D	35.6	Very low	32.9	Very low	115 Å²	115	112 Å²	112	62%	0.615	62%	0.624	S	S	*	*			cis	-131.9	117.3	17.3	-81.3	-43.5	0	0	0	116.3
1156	F	34.4	Very low	32.5	Very low	147 Å²	147	114.2 Å²	114.2	65%	0.645	63%	0.628	S	S	*	*				52.9	112.5	111	-91.8	-104.2	0	0	0	116.8	H1158	F1156-H1158 PolarHBondContact O-N 3.22Å
1157	S	24.9	Very low	32	Very low	84 Å²	84	112.9 Å²	112.9	59%	0.587	62%	0.623	S	S	*	*				-20	126.7	121.1	48.3	0	0	0	0	114
1158	H	37.6	Very low	32.1	Very low	146 Å²	146	111 Å²	111	68%	0.676	62%	0.618	S	S	*	*				-131.7	124	102	-95.8	-82	0	0	0	105.4	F1156	F1156-H1158 PolarHBondContact O-N 3.22Å
1159	E	28.7	Very low	32.6	Very low	128 Å²	128	118.7 Å²	118.7	60%	0.598	63%	0.633	S	S	*	*				50.1	86.2	57.8	-169.5	-142.7	-123.2	0	0	109.7
1160	Y	31.4	Very low	32.8	Very low	186 Å²	186	120 Å²	120	73%	0.729	65%	0.65	S	S	*	*				-166.9	124.2	114.2	-122.4	-105.6	0	0	0	111.1
1161	V	30.9	Very low	32.8	Very low	124 Å²	124	119.6 Å²	119.6	75%	0.752	65%	0.65	S	S	*	*			trans	62.1	171.3	145.1	167.5	0	0	0	0	117.2
1162	A	35.9	Very low	33.1	Very low	72 Å²	72	120.7 Å²	120.7	60%	0.595	67%	0.67	S	S	*	*			trans	55.3	87.6	174.3	0	0	0	0	0	115.1
1163	S	27.5	Very low	33.4	Very low	105 Å²	105	127 Å²	127	73%	0.734	68%	0.676	S	S	*	*				18.9	-174	83.6	-42.7	0	0	0	0	118.5
1164	D	33.4	Very low	33.4	Very low	116 Å²	116	127.5 Å²	127.5	62%	0.62	68%	0.675	S	S	*	*			trans	65.6	92.3	160.7	-46.4	-17.9	0	0	0	113.5
1165	N	37.8	Very low	33.3	Very low	129 Å²	129	127.6 Å²	127.6	69%	0.69	68%	0.676	S	S	*	*				-148.1	107.1	50.2	-81.3	-87.7	0	0	0	113.6	E1167	N1165-E1167 HydrophobicContact CB-CG 4.05Å; N1165-E1167 PolarHBondContact O-N 3.2Å
1166	D	35.1	Very low	33	Very low	149 Å²	149	128.3 Å²	128.3	80%	0.797	68%	0.679	S	S	*	*				-42	121	124.1	-64.4	-79.8	0	0	0	110.7
1167	E	34.2	Very low	32.8	Very low	138 Å²	138	131.5 Å²	131.5	65%	0.645	69%	0.689	S	S	*	*			trans	-148.5	138.4	164.6	-87	-117.4	156.9	0	0	107	N1165	N1165-E1167 HydrophobicContact CB-CG 4.05Å; N1165-E1167 PolarHBondContact O-N 3.2Å
1168	N	37.3	Very low	33.5	Very low	72 Å²	72	132.5 Å²	132.5	39%	0.385	69%	0.693	S	S	.	*	S	Bend	cis	-166.5	160.1	-9	-116.8	-14.1	0	0	0	106.5
1169	R	39	Very low	33.3	Very low	204 Å²	204	131.3 Å²	131.3	77%	0.77	69%	0.692	S	S	*	*	S	Bend	cis	-149.5	163	9.1	-106.6	147.7	-159.6	-168.9	2.7	106.9
1170	S	35.9	Very low	33.6	Very low	95 Å²	95	129.4 Å²	129.4	66%	0.664	69%	0.693	S	S	*	*			cis	-153.4	138.5	0.2	40	0	0	0	0	111.2
1171	H	34.6	Very low	33.8	Very low	155 Å²	155	129.2 Å²	129.2	72%	0.718	70%	0.696	S	S	*	*			trans	-2.9	136	140.9	-22	-76.6	0	0	0	116.9
1172	G	33.3	Very low	33.6	Very low	76 Å²	76	127.8 Å²	127.8	78%	0.784	70%	0.697	S	S	*	*			trans	169	47	176.7	0	0	0	0	0	117	S1174	G1172-S1174 PolarHBondContact O-N 3.4Å
1173	R	30.5	Very low	33.7	Very low	246 Å²	246	134 Å²	134	93%	0.928	71%	0.71	S	S	*	*			trans	-9.1	116.2	151.3	175	-162.8	-169.5	-170	5.7	114.8
1174	S	31.1	Very low	34	Very low	85 Å²	85	134.5 Å²	134.5	59%	0.594	71%	0.709	S	S	*	*				175	137.8	111.1	-159.7	0	0	0	0	114.8	G1172	G1172-S1174 PolarHBondContact O-N 3.4Å
1175	T	30.8	Very low	33.9	Very low	108 Å²	108	139.5 Å²	139.5	66%	0.663	72%	0.72	S	S	*	*			trans	52	127.1	143.3	49	0	0	0	0	123.6
1176	N	29.3	Very low	33.6	Very low	130 Å²	130	137 Å²	137	70%	0.695	72%	0.718	S	S	*	*			trans	93.7	119.8	130.9	-68.6	-6.6	0	0	0	122
1177	Y	29.1	Very low	33.6	Very low	214 Å²	214	136 Å²	136	84%	0.839	72%	0.717	S	S	*	*			trans	75.9	157.2	140.7	-86.4	-103.7	0	0	0	116.9
1178	P	40.6	Very low	33.4	Very low	104 Å²	104	135 Å²	135	68%	0.675	73%	0.725	S	S	*	*				-135.2	-158.3	-121.3	40.8	-20	0	0	0	112.7
1179	D	33.6	Very low	33.1	Very low	122 Å²	122	133.9 Å²	133.9	65%	0.652	73%	0.73	S	S	*	*				155.8	171.4	103.8	-163.6	18.4	0	0	0	112.3
1180	S	35.1	Very low	32.9	Very low	88 Å²	88	136 Å²	136	62%	0.615	74%	0.738	S	S	*	*			trans	76.7	71.8	145.6	70	0	0	0	0	118.3
1181	K	34.3	Very low	32.6	Very low	182 Å²	182	139.5 Å²	139.5	79%	0.791	74%	0.742	S	S	*	*				47.3	104	111.5	-62.6	160.5	-177.4	154.6	0	117.7
1182	A	27	Very low	32.4	Very low	94 Å²	94	138 Å²	138	78%	0.777	74%	0.735	S	S	*	*				55.4	134.4	119.8	0	0	0	0	0	121.3
1183	K	38.4	Very low	32.3	Very low	202 Å²	202	137.9 Å²	137.9	88%	0.878	71%	0.713	S	S	*	*				-160.3	153.7	116.3	-111.5	157.8	-171.9	173.3	0	114.1
1184	V	33.3	Very low	32.4	Very low	116 Å²	116	130 Å²	130	70%	0.703	69%	0.693	S	S	*	*			trans	72.6	96.5	161.2	177.5	0	0	0	0	118.6
1185	Y	30.8	Very low	32.4	Very low	220 Å²	220	134 Å²	134	86%	0.863	70%	0.696	S	S	*	*			trans	30.3	146.4	134.4	-55	-83.6	0	0	0	122.7
1186	A	32.7	Very low	32.3	Very low	77 Å²	77	138.8 Å²	138.8	64%	0.636	70%	0.702	S	S	*	*			cis	-174.4	144.7	-18.1	0	0	0	0	0	112.3
1187	V	34.5	Very low	32.6	Very low	128 Å²	128	140.7 Å²	140.7	78%	0.776	70%	0.704	S	S	*	*			trans	48	97.2	132.5	-175.6	0	0	0	0	118.9
1188	S	30.5	Very low	32.5	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	70%	0.696	S	S	*	*				5.3	158.2	121.1	53.5	0	0	0	0	120.6
1189	G	30.9	Very low	32.4	Very low	49 Å²	49	137.8 Å²	137.8	51%	0.505	70%	0.704	S	S	.	*			cis	164.2	140.8	-7.8	0	0	0	0	0	112.8	F1191	G1189-F1191 WeakPolarHBondContact O-CE2 3.45Å
1190	R	35.2	Very low	32	Very low	248 Å²	248	137.7 Å²	137.7	94%	0.936	71%	0.708	S	S	*	*			trans	64.1	-168.3	173.2	-75.1	-173.4	169.8	-176	-0.8	116.9
1191	F	29.5	Very low	32	Very low	170 Å²	170	140.3 Å²	140.3	75%	0.746	72%	0.715	S	S	*	*			trans	102.5	144.1	173.1	-55.1	-56.4	0	0	0	115.3	G1189	G1189-F1191 WeakPolarHBondContact O-CE2 3.45Å
1192	H	29.8	Very low	32.2	Very low	123 Å²	123	137 Å²	137	57%	0.569	71%	0.711	S	S	*	*			cis	-151.8	179.7	-2.7	-124.9	-18.6	0	0	0	108.4
1193	K	31.4	Very low	32.3	Very low	73 Å²	73	138 Å²	138	32%	0.317	71%	0.707	S	S	.	*			cis	-143.9	-152.1	2.8	-140.8	151.1	-165.4	163.5	0	106.5	Y2154	K1193-Y2154 PolarHBondContact O-OH 2.77Å
1194	T	32.8	Very low	31.9	Very low	82 Å²	82	133.7 Å²	133.7	50%	0.503	70%	0.698	S	S	.	*			cis	-165.8	169.8	-2.4	9.4	0	0	0	0	103.1
1195	Y	30.9	Very low	31.7	Very low	167 Å²	167	136.7 Å²	136.7	66%	0.655	70%	0.701	S	S	*	*			cis	-170.9	166.4	-11.5	-108.5	-16	0	0	0	104.8
1196	R	29.4	Very low	31.7	Very low	210 Å²	210	130.8 Å²	130.8	79%	0.792	69%	0.692	S	S	*	*			cis	-165.8	111.8	-18.7	170.8	-173	179.5	-165.6	1.3	106.2
1197	K	35.6	Very low	31.8	Very low	170 Å²	170	135.3 Å²	135.3	74%	0.739	70%	0.7	S	S	*	*			trans	-150.9	132	162.1	-109.9	-174.8	175.4	-177.8	0	110.1
1198	N	26.9	Very low	31.8	Very low	127 Å²	127	136.6 Å²	136.6	68%	0.679	70%	0.702	S	S	*	*			trans	-75	163.7	167.4	-57.4	-1.2	0	0	0	107.9
1199	P	37.7	Very low	32	Very low	129 Å²	129	137.6 Å²	137.6	84%	0.838	70%	0.698	S	S	*	*				-108.1	156.3	65.2	34.6	-36.4	0	0	0	114.6
1200	T	26	Very low	32.3	Very low	120 Å²	120	140.8 Å²	140.8	74%	0.736	71%	0.708	S	S	*	*			trans	-63.3	132.3	161.2	40.4	0	0	0	0	110.4
1201	N	34.2	Very low	32.1	Very low	144 Å²	144	137.3 Å²	137.3	77%	0.77	70%	0.703	S	S	*	*			trans	-151.4	125.9	147.8	-123.3	-0.6	0	0	0	112.8	T1203	N1201-T1203 PolarHBondContact O-N 2.71Å
1202	T	38.7	Very low	32.5	Very low	113 Å²	113	134 Å²	134	69%	0.693	70%	0.698	S	S	*	*			trans	43.6	69.6	143.2	58.1	0	0	0	0	118.9
1203	T	30.1	Very low	32.5	Very low	114 Å²	114	135.5 Å²	135.5	70%	0.699	71%	0.705	S	S	*	*				38.2	110.4	92.7	-39.8	0	0	0	0	117.6	N1201	N1201-T1203 PolarHBondContact O-N 2.71Å
1204	T	28.4	Very low	32.6	Very low	111 Å²	111	138 Å²	138	68%	0.681	72%	0.721	S	S	*	*			trans	69.2	-173.1	145.7	67.3	0	0	0	0	116.5
1205	K	29.8	Very low	32.6	Very low	179 Å²	179	140.7 Å²	140.7	78%	0.778	73%	0.732	S	S	*	*			cis	-158.5	142.5	9.4	-153.7	170.5	-75.9	-174.7	0	113.1
1206	S	31.7	Very low	32.7	Very low	97 Å²	97	138.5 Å²	138.5	68%	0.678	74%	0.736	S	S	*	*			trans	-172.5	140	148.5	46.3	0	0	0	0	108.1
1207	E	33.6	Very low	32.8	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	74%	0.736	S	S	*	*	S	Bend	cis	-148.5	159.3	-14.2	-103.8	129.9	-141	0	0	105.8
1208	L	35.8	Very low	32.7	Very low	155 Å²	155	136.2 Å²	136.2	81%	0.812	74%	0.737	S	S	*	*	S	Bend	cis	-129.8	176	27.4	-90.9	91.8	0	0	0	114.2
1209	N	34	Very low	33.1	Very low	137 Å²	137	137 Å²	137	73%	0.733	75%	0.746	S	S	*	*			trans	67.5	82.7	166.9	-75.9	-0.2	0	0	0	118.9
1210	T	37.1	Very low	33.1	Very low	116 Å²	116	135 Å²	135	71%	0.712	74%	0.741	S	S	*	*				47.1	107	100.2	-47.8	0	0	0	0	117
1211	Q	31.3	Very low	33.3	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.822	75%	0.747	S	S	*	*				88.7	163.1	80	-119.5	-155.8	1.5	0	0	112.6
1212	P	37.4	Very low	33.3	Very low	100 Å²	100	139.6 Å²	139.6	65%	0.649	75%	0.75	S	S	*	*				-136.9	170.1	-84.9	44.7	-30.1	0	0	0	117.8
1213	H	29.9	Very low	33.1	Very low	154 Å²	154	139.8 Å²	139.8	71%	0.713	75%	0.751	S	S	*	*			trans	63.4	98.4	132.4	-174.2	-76	0	0	0	121.7
1214	I	34.2	Very low	33.4	Very low	127 Å²	127	141 Å²	141	65%	0.651	75%	0.753	S	S	*	*			trans	72.4	149.3	131.3	-61.1	-176.7	0	0	0	119.4
1215	D	32.6	Very low	33.5	Very low	137 Å²	137	142.1 Å²	142.1	73%	0.733	75%	0.754	S	S	*	*			trans	66.8	108.4	176.4	-67.3	-37.6	0	0	0	117.9
1216	T	32.1	Very low	33.8	Very low	122 Å²	122	138.5 Å²	138.5	75%	0.748	75%	0.752	S	S	*	*				83.9	81.6	60.9	-58	0	0	0	0	110.4
1217	E	32.8	Very low	34	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.794	75%	0.752	S	S	*	*			trans	-157.3	170.1	138.3	-118.3	-171.9	161.5	0	0	114.1
1218	Q	33.6	Very low	34.1	Very low	161 Å²	161	137.5 Å²	137.5	75%	0.752	75%	0.749	S	S	*	*			trans	-54.4	157.4	-172.3	-55.7	163.2	76	0	0	113.1
1219	V	34.9	Very low	33.9	Very low	145 Å²	145	134.1 Å²	134.1	88%	0.879	74%	0.738	S	S	*	*				-142.1	155.7	78.2	168.7	0	0	0	0	113.4
1220	A	36.3	Very low	33.8	Very low	87 Å²	87	135.7 Å²	135.7	72%	0.719	74%	0.741	S	S	*	*			trans	-50.4	125.8	-173.2	0	0	0	0	0	118.9
1221	K	31.6	Very low	33.4	Very low	198 Å²	198	136.5 Å²	136.5	86%	0.861	74%	0.739	S	S	*	*				18.1	119.2	114.5	-179.1	-172.2	179.8	-177.9	0	117.5
1222	L	32.7	Very low	33.3	Very low	162 Å²	162	137.1 Å²	137.1	85%	0.848	74%	0.742	S	S	*	*			trans	-160.8	162.4	139.8	-111.1	174.9	0	0	0	111.7
1223	T	36.3	Very low	33.2	Very low	117 Å²	117	135.5 Å²	135.5	72%	0.718	74%	0.744	S	S	*	*			trans	78.3	89.9	164.4	-44.2	0	0	0	0	119.9
1224	L	34.7	Very low	33.5	Very low	139 Å²	139	135.6 Å²	135.6	73%	0.728	75%	0.748	S	S	*	*			trans	56.3	106.4	139.6	-78.2	86.9	0	0	0	123.6
1225	D	31.9	Very low	33.6	Very low	134 Å²	134	136.9 Å²	136.9	72%	0.717	76%	0.756	S	S	*	*				72	136.3	104.3	-58.6	-0.6	0	0	0	125.1
1226	S	35.9	Very low	33.7	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	76%	0.761	S	S	*	*			trans	72.6	150.7	144.4	-63.8	0	0	0	0	119.7
1227	T	36.6	Very low	34.2	Very low	112 Å²	112	136.8 Å²	136.8	69%	0.687	76%	0.757	S	S	*	*			cis	-175.8	160	-18.8	35.3	0	0	0	0	105.7
1228	N	33.6	Very low	34.5	Very low	136 Å²	136	136.7 Å²	136.7	73%	0.727	76%	0.757	S	S	*	*			cis	-159.6	157.3	-13.4	-96.5	7.6	0	0	0	104.9
1229	S	31.9	Very low	34.6	Very low	83 Å²	83	135.4 Å²	135.4	58%	0.58	76%	0.759	S	S	*	*			cis	87.1	110.9	31.5	89.5	0	0	0	0	116.6
1230	Q	32.3	Very low	35.1	Very low	171 Å²	171	133.8 Å²	133.8	80%	0.799	75%	0.752	S	S	*	*			trans	73.2	122.9	156.2	-64.6	-174.2	-37.8	0	0	117.4
1231	I	28.9	Very low	35.2	Very low	133 Å²	133	135.4 Å²	135.4	68%	0.682	75%	0.753	S	S	*	*				91.3	131.3	82.4	-70.8	167.9	0	0	0	112.7
1232	E	30.3	Very low	35.3	Very low	188 Å²	188	132.2 Å²	132.2	88%	0.879	75%	0.75	S	S	*	*			trans	67.9	156.6	171.4	-75.9	166.7	-164.7	0	0	118.3
1233	G	33.9	Very low	35.5	Very low	67 Å²	67	136.2 Å²	136.2	69%	0.691	75%	0.754	S	S	*	*			trans	93.1	111.2	-165.6	0	0	0	0	0	111.7
1234	I	36.4	Very low	35.7	Very low	155 Å²	155	137 Å²	137	80%	0.795	76%	0.758	S	S	*	*				77.5	95.5	55.4	-57.7	172.8	0	0	0	112.4
1235	D	36.1	Very low	36.1	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	76%	0.762	S	S	*	*			trans	61.5	151	145.4	-51.6	-18	0	0	0	123.3
1236	D	35.8	Very low	36.3	Very low	154 Å²	154	133.7 Å²	133.7	82%	0.824	76%	0.759	S	S	*	*			trans	-45.3	161.4	172.3	-94.9	-56.9	0	0	0	115.6
1237	P	42.7	Very low	36.3	Very low	103 Å²	103	133.9 Å²	133.9	67%	0.669	76%	0.76	S	S	*	*				-155.5	178	50.1	43.2	-21.4	0	0	0	120.3
1238	E	39	Very low	36.2	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	76%	0.764	S	S	*	*			trans	43.3	121.6	142.9	-66.3	171.2	160.6	0	0	120.8
1239	V	35.5	Very low	36.5	Very low	133 Å²	133	133.8 Å²	133.8	81%	0.806	76%	0.763	S	S	*	*				69.8	130.6	58.9	175.8	0	0	0	0	113.6
1240	P	44.6	Very low	36.7	Very low	112 Å²	112	136.3 Å²	136.3	73%	0.727	78%	0.775	S	S	*	*			cis	-135	-164.2	-24.4	37.1	-16.6	0	0	0	113.7
1241	T	38.2	Very low	36.9	Very low	120 Å²	120	135.3 Å²	135.3	74%	0.736	77%	0.773	S	S	*	*			trans	132.6	102.3	139	-52.7	0	0	0	0	117.8
1242	V	34.3	Very low	37.3	Very low	132 Å²	132	137.5 Å²	137.5	80%	0.8	78%	0.783	S	S	*	*			trans	47.5	105.6	144.9	-171.6	0	0	0	0	121.1
1243	R	36.7	Very low	37.4	Very low	246 Å²	246	135.5 Å²	135.5	93%	0.928	78%	0.778	S	S	*	*				-165.1	155.5	119.1	-107.4	169.9	-178.7	153	1.6	112.4
1244	V	40.2	Very low	37.4	Very low	133 Å²	133	135.1 Å²	135.1	81%	0.806	77%	0.769	S	S	*	*			trans	-111.2	144.4	-174.8	167.4	0	0	0	0	107.6
1245	P	43.3	Very low	37.5	Very low	125 Å²	125	132.9 Å²	132.9	81%	0.812	76%	0.755	S	S	*	*				-141.3	-164.6	50.4	34.7	-11.5	0	0	0	115.8
1246	A	35.2	Very low	37.1	Very low	79 Å²	79	131.3 Å²	131.3	65%	0.653	74%	0.738	S	S	*	*				-177.5	174.1	-50	0	0	0	0	0	110.3
1247	S	36.5	Very low	37.1	Very low	107 Å²	107	127.8 Å²	127.8	75%	0.748	72%	0.722	S	S	*	*			trans	65.3	142.5	167.1	66.3	0	0	0	0	119.3
1248	D	35.6	Very low	36.8	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	72%	0.723	S	S	*	*			cis	-161.6	131.9	-18.6	-116	-36.9	0	0	0	116
1249	S	39.7	Very low	36.6	Very low	100 Å²	100	130.1 Å²	130.1	70%	0.699	72%	0.724	S	S	*	*			trans	62.4	152.1	133.6	78.8	0	0	0	0	127
1250	V	35.5	Very low	36.5	Very low	137 Å²	137	134.5 Å²	134.5	83%	0.83	73%	0.726	S	S	*	*			trans	99.8	137.8	154.8	-169.6	0	0	0	0	120.3
1251	I	35.7	Very low	36	Very low	150 Å²	150	135 Å²	135	77%	0.769	73%	0.727	S	S	*	*			trans	-146.8	160.8	-167.3	-58	158.3	0	0	0	108.3
1252	M	37.3	Very low	35.4	Very low	179 Å²	179	134.8 Å²	134.8	88%	0.882	72%	0.721	S	S	*	*			trans	-167.1	155.4	138.9	-107.2	-50.6	167.5	0	0	117.8
1253	N	32.5	Very low	35.2	Very low	145 Å²	145	137 Å²	137	78%	0.775	72%	0.716	S	S	*	*			trans	-96.5	-166.1	175.8	-81.2	-45.2	0	0	0	111.9
1254	A	35.1	Very low	34.7	Very low	60 Å²	60	132.8 Å²	132.8	50%	0.496	70%	0.704	S	S	.	*				-170.8	131.5	-57.2	0	0	0	0	0	111.3
1255	Q	37.2	Very low	34.3	Very low	108 Å²	108	129.5 Å²	129.5	51%	0.505	69%	0.691	S	S	.	*			trans	62.5	-175.5	148.7	-60.6	166.4	-28.2	0	0	122.2	A603 M604	A603-Q1255 PolarHBondContact O-NE2 3.41Å; A603-Q1255 PolarHBondContact O-OE1 2.62Å; A603-Q1255 VanDerWaalsContact O-OE1 3.06Å; M604-Q1255 HydrophobicContact CB-CB 3.85Å; M604-Q1255 VanDerWaalsContact O-CB 3.24Å; M604-Q1255 WeakPolarHBondContact O-CB 3.2Å; M604-Q1255 VanDerWaalsContact O-CG 3.25Å; M604-Q1255 WeakPolarHBondContact O-CG 3.18Å; M604-Q1255 PolarHBondContact O-NE2 3.36Å; M604-Q1255 VanDerWaalsContact O-NE2 3.14Å; M604-Q1255 PolarHBondContact O-OE1 3.13Å; M604-Q1255 VanDerWaalsContact O-OE1 3.11Å
1256	Y	29.5	Very low	33.8	Very low	121 Å²	121	127 Å²	127	48%	0.475	67%	0.673	S	S	.	*			trans	81.8	139.2	168.6	-68	-81.6	0	0	0	118.6	A603 M604 V605	A603-Y1256 PolarHBondContact N-OH 3.29Å; M604-Y1256 VanDerWaalsContact CA-CE2 3.4Å; M604-Y1256 HydrophobicContact CB-CD1 2.31Å; M604-Y1256 HydrophobicContact CB-CD2 2.31Å; M604-Y1256 HydrophobicContact CB-CE1 2.31Å; M604-Y1256 HydrophobicContact CB-CE2 2.31Å; M604-Y1256 HydrophobicContact CB-CG 2.32Å; M604-Y1256 WeakPolarHBondContact CB-OH 3.49Å; M604-Y1256 HydrophobicContact CE-CD2 4.37Å; M604-Y1256 HydrophobicContact CE-CE2 4.48Å; M604-Y1256 HydrophobicContact CG-CD1 2.3Å; M604-Y1256 HydrophobicContact CG-CD2 2.3Å; M604-Y1256 HydrophobicContact CG-CE1 2.3Å; M604-Y1256 HydrophobicContact CG-CE2 2.3Å; M604-Y1256 HydrophobicContact CG-CG 2.3Å; M604-Y1256 WeakPolarHBondContact CG-OH 2.92Å; M604-Y1256 VanDerWaalsContact N-CE2 3.34Å; M604-Y1256 PolarHBondContact N-OH 2.7Å; M604-Y1256 WeakPolarHBondContact SD-CB 3.4Å; M604-Y1256 HydrophobicContact SD-CD1 3.48Å; M604-Y1256 WeakPolarHBondContact SD-CD1 3.35Å; M604-Y1256 HydrophobicContact SD-CD2 2.91Å; M604-Y1256 WeakPolarHBondContact SD-CD2 3.26Å; M604-Y1256 HydrophobicContact SD-CE1 4.07Å; M604-Y1256 HydrophobicContact SD-CE2 3.6Å; M604-Y1256 VanDerWaalsContact SD-CE2 3.6Å; M604-Y1256 HydrophobicContact SD-CG 2.84Å; V605-Y1256 HydrophobicContact CB-CD1 4.23Å; V605-Y1256 HydrophobicContact CB-CG 4.5Å; V605-Y1256 HydrophobicContact CG2-CD1 3.47Å; V605-Y1256 VanDerWaalsContact CG2-CD1 3.47Å; V605-Y1256 HydrophobicContact CG2-CE1 4.44Å; V605-Y1256 HydrophobicContact CG2-CG 4.23Å
1257	T	34.9	Very low	33.4	Very low	80 Å²	80	129.5 Å²	129.5	49%	0.491	67%	0.671	S	S	.	*			cis	-159.4	142.1	-13	-40.3	0	0	0	0	112.4	V605	V605-T1257 HydrophobicContact CG2-CG2 3.38Å
1258	K	36.6	Very low	32.9	Very low	159 Å²	159	128.2 Å²	128.2	69%	0.691	65%	0.652	S	S	*	*				172.2	159.5	117.6	-95.9	158.7	-173	166.8	0	121.9	R606	R606-K1258 PolarHBondContact NH1-O 2.78Å
1259	M	33.5	Very low	32.6	Very low	162 Å²	162	123.4 Å²	123.4	80%	0.798	63%	0.628	S	S	*	*			trans	-43.3	167.1	165	-56.3	-67.6	-172.1	0	0	118.6
1260	R	33.9	Very low	32.1	Very low	224 Å²	224	123 Å²	123	85%	0.845	62%	0.618	S	S	*	*			trans	-173.8	155.9	131	-105	175.1	176.8	-178.4	-0.8	108.3
1261	T	34.2	Very low	32	Very low	124 Å²	124	118.1 Å²	118.1	76%	0.761	60%	0.595	S	S	*	*			cis	-148.5	145.5	41.4	33.8	0	0	0	0	114.7
1262	N	26.3	Very low	31.8	Very low	114 Å²	114	113.6 Å²	113.6	61%	0.61	58%	0.575	S	S	*	*			trans	-107.4	132.3	133.1	-92.2	-67.6	0	0	0	105.3
1263	R	29.4	Very low	31.4	Very low	180 Å²	180	107.1 Å²	107.1	68%	0.679	55%	0.547	S	S	*	.				54.9	136.7	101.5	-67.1	-169.5	-75.4	161.4	-4	113.7
1264	F	27.3	Very low	31.2	Very low	156 Å²	156	102.9 Å²	102.9	68%	0.684	52%	0.521	S	S	*	.			cis	-141.1	179.1	23.4	-70.8	-98.5	0	0	0	112.6
1265	A	30.3	Very low	30.8	Very low	64 Å²	64	107.2 Å²	107.2	53%	0.529	53%	0.525	S	S	.	.			trans	70.7	158	143.5	0	0	0	0	0	118
1266	T	33.8	Very low	30.2	Very low	72 Å²	72	106 Å²	106	44%	0.442	53%	0.525	S	S	.	.	S	Bend	cis	-124.1	153.1	-2.4	35.7	0	0	0	0	110.3	I411 S414	I411-T1266 VanDerWaalsContact CD1-O 3.31Å; I411-T1266 WeakPolarHBondContact CD1-O 3.19Å; S414-T1266 PolarHBondContact OG-OG1 3.46Å
1267	H	25.6	Very low	30.2	Very low	133 Å²	133	103.8 Å²	103.8	62%	0.616	53%	0.527	S	S	*	.				-154.3	139.8	-52.1	-127.1	-83.6	0	0	0	103.9
1268	K	27.7	Very low	29.7	Very low	79 Å²	79	102.8 Å²	102.8	34%	0.343	52%	0.519	S	S	.	.				164.9	166.3	99.7	-78	-170.9	171.6	-93.1	0	110.3	D420 E424	D420-K1268 VanDerWaalsContact O-CE 3.3Å; D420-K1268 WeakPolarHBondContact O-CE 3.28Å; D420-K1268 PolarHBondContact O-NZ 3.29Å; D420-K1268 WeakPolarHBondContact OD2-CD 2.98Å; D420-K1268 WeakPolarHBondContact OD2-CE 3.39Å; E424-K1268 HydrophobicContact CB-CD 4.22Å; E424-K1268 HydrophobicContact CG-CB 4.49Å; E424-K1268 HydrophobicContact CG-CD 4.46Å; E424-K1268 WeakPolarHBondContact OE1-CA 3.35Å; E424-K1268 VanDerWaalsContact OE1-CB 3.26Å; E424-K1268 WeakPolarHBondContact OE1-CB 3.38Å; E424-K1268 WeakPolarHBondContact OE2-CG 3.41Å; E424-K1268 IonicContact OE2-NZ 2.73Å; E424-K1268 PolarHBondContact OE2-NZ 2.83Å
1269	V	28.2	Very low	29.3	Very low	45 Å²	45	101.9 Å²	101.9	27%	0.273	51%	0.511	S	S	.	.			trans	62.7	87.7	163.9	-171.4	0	0	0	0	119.4	E424 Q427	E424-V1269 HydrophobicContact CB-CG2 4.48Å; E424-V1269 HydrophobicContact CG-CG2 3.85Å; E424-V1269 PolarHBondContact OE1-N 3.1Å; Q427-V1269 HydrophobicContact CG-CG1 4Å; Q427-V1269 HydrophobicContact CG-CG2 4.36Å
1270	L	30.4	Very low	28.9	Very low	91 Å²	91	97.1 Å²	97.1	48%	0.476	50%	0.497	S	S	.	.				37.1	144.4	118.9	-74	102.2	0	0	0	124.2	A428 Q431	A428-L1270 HydrophobicContact CB-CD1 3.7Å; A428-L1270 HydrophobicContact CB-CD2 3.67Å; A428-L1270 HydrophobicContact CB-CG 4.32Å; Q431-L1270 PolarHBondContact NE2-O 3.19Å
1271	G	32.9	Very low	28.7	Very low	34 Å²	34	87.7 Å²	87.7	35%	0.351	47%	0.47	S	S	.	.			trans	143.4	66.4	152.7	0	0	0	0	0	114.6
1272	T	30.8	Very low	28.5	Very low	56 Å²	56	88.2 Å²	88.2	34%	0.344	46%	0.463	S	S	.	.				35.7	148.5	87.7	41.2	0	0	0	0	118.5	Q435 C2136 I2137	Q435-T1272 VanDerWaalsContact CD-C 3.44Å; Q435-T1272 PolarHBondContact NE2-O 3.41Å; Q435-T1272 PolarHBondContact NE2-OG1 2.96Å; Q435-T1272 VanDerWaalsContact OE1-CB 3.23Å; Q435-T1272 PolarHBondContact OE1-OG1 3.26Å; T1272-C2136 VanDerWaalsContact CA-SG 3.55Å; T1272-C2136 WeakPolarHBondContact CG2-SG 3.11Å; T1272-C2136 PolarHBondContact N-SG 3.49Å; T1272-I2137 WeakPolarHBondContact O-CD1 3.2Å; T1272-I2137 WeakPolarHBondContact O-CG1 3.42Å
1273	S	28.8	Very low	28.7	Very low	43 Å²	43	87.9 Å²	87.9	30%	0.301	46%	0.462	S	S	.	.			trans	-25.4	140.4	-167.5	-112.4	0	0	0	0	119.8	Q435	Q435-S1273 WeakPolarHBondContact CG-O 3.47Å; Q435-S1273 PolarHBondContact OE1-O 2.63Å
1274	K	29	Very low	29	Very low	55 Å²	55	84.7 Å²	84.7	24%	0.239	45%	0.454	C	S	.	.			cis	-148.4	151.5	29.1	-98.4	-165.7	-177.1	165.8	0	115.7	N439 E442	N439-K1274 WeakPolarHBondContact OD1-CD 3.38Å; N439-K1274 WeakPolarHBondContact OD1-CE 3.17Å; N439-K1274 VanDerWaalsContact OD1-CG 3.25Å; N439-K1274 WeakPolarHBondContact OD1-CG 3.15Å; N439-K1274 PolarHBondContact OD1-NZ 3.38Å; E442-K1274 WeakPolarHBondContact OE2-CD 2.9Å; E442-K1274 WeakPolarHBondContact OE2-CE 3.2Å; E442-K1274 IonicContact OE2-NZ 3.22Å; E442-K1274 PolarHBondContact OE2-NZ 2.98Å
1275	R	25.4	Very low	29	Very low	151 Å²	151	83.6 Å²	83.6	57%	0.57	45%	0.451	S	S	*	.				42.4	146.8	129.8	-60.2	-169.8	168.7	-173.3	-8.3	121	E442 P2138	E442-R1275 WeakPolarHBondContact OE1-CD 3.37Å; R1275-P2138 VanDerWaalsContact C-CB 3.48Å
1276	V	25.3	Very low	29	Very low	84 Å²	84	85.6 Å²	85.6	51%	0.509	46%	0.461	S	S	.	.			cis	-153.4	-157.4	-11.1	129	0	0	0	0	105	P2138 P2139	V1276-P2138 VanDerWaalsContact CA-CB 3.43Å; V1276-P2139 VanDerWaalsContact O-CB 3.32Å; V1276-P2139 WeakPolarHBondContact O-CB 3.26Å
1277	S	29.2	Very low	29	Very low	73 Å²	73	91.1 Å²	91.1	51%	0.51	48%	0.479	S	S	.	.			trans	79	0	166.6	-60.2	0	0	0	0	119.7	P2139 P2140	S1277-P2139 VanDerWaalsContact C-C 3.44Å; S1277-P2139 WeakPolarHBondContact O-CB 3.26Å; S1277-P2140 VanDerWaalsContact CA-N 3.33Å; S1277-P2140 VanDerWaalsContact CB-CB 3.45Å; S1277-P2140 WeakPolarHBondContact O-CA 3.48Å; S1277-P2140 VanDerWaalsContact O-CB 3.23Å; S1277-P2140 WeakPolarHBondContact O-CB 3.15Å; S1277-P2140 WeakPolarHBondContact O-CD 3.26Å; S1277-P2140 WeakPolarHBondContact O-CG 3.47Å
1278	N	24.3	Very low	29.2	Very low	60 Å²	60	95.6 Å²	95.6	32%	0.321	49%	0.49	S	S	.	.				0	-157.1	0	-160.7	-153.6	0	0	0	107.2	P2140 P2141 S2142	N1278-P2140 VanDerWaalsContact CA-CD 3.41Å; N1278-P2140 WeakPolarHBondContact CA-O 2.97Å; N1278-P2140 HydrophobicContact CB-CB 3.28Å; N1278-P2140 HydrophobicContact CB-CG 4.32Å; N1278-P2140 WeakPolarHBondContact CB-O 3.22Å; N1278-P2140 VanDerWaalsContact CG-C 3.48Å; N1278-P2140 VanDerWaalsContact N-C 3.28Å; N1278-P2140 PolarHBondContact ND2-O 2.86Å; N1278-P2140 WeakPolarHBondContact O-CD 3.35Å; N1278-P2141 WeakPolarHBondContact CB-O 3.01Å; N1278-S2142 PolarHBondContact OD1-N 3.46Å
1279	R	29.6	Very low	29.2	Very low	139 Å²	139	97.7 Å²	97.7	53%	0.525	51%	0.505	S	S	.	.	S	Bend	trans	22.7	130.4	136.6	-81.2	162.7	-147.7	-132.6	-7.2	119	G1281	R1279-G1281 PolarHBondContact O-N 3.15Å
1280	A	25.4	Very low	29.2	Very low	63 Å²	63	100.5 Å²	100.5	52%	0.521	52%	0.518	S	S	.	.				34.7	83.4	125.2	0	0	0	0	0	116.3	G2159	A1280-G2159 WeakPolarHBondContact O-CA 3.03Å; A1280-G2159 PolarHBondContact O-N 3.14Å; A1280-G2159 VanDerWaalsContact O-N 3.09Å
1281	G	27.9	Very low	29.2	Very low	25 Å²	25	99 Å²	99	26%	0.258	53%	0.526	S	S	.	.			cis	110.3	163.5	-7.2	0	0	0	0	0	115.9	R1279 N2157	R1279-G1281 PolarHBondContact O-N 3.15Å; G1281-N2157 PolarHBondContact O-OD1 3.35Å
1282	Q	30.7	Very low	29.3	Very low	135 Å²	135	98.5 Å²	98.5	63%	0.631	52%	0.517	S	S	*	.			trans	70.1	-172	-176.1	-49.9	84.5	-107.8	0	0	114.1	Q2156 N2157	Q1282-Q2156 HydrophobicContact CB-CB 4.3Å; Q1282-Q2156 HydrophobicContact CB-CG 3.4Å; Q1282-Q2156 HydrophobicContact CG-CG 4.48Å; Q1282-N2157 PolarHBondContact O-ND2 3.27Å; Q1282-N2157 PolarHBondContact O-OD1 3.42Å
1283	N	30.8	Very low	29.5	Very low	107 Å²	107	98 Å²	98	57%	0.572	51%	0.513	S	S	*	.			trans	-158.4	152.5	160.6	-166.4	35.9	0	0	0	112.6	Q1285 Q2156 N2157	N1283-Q1285 PolarHBondContact O-N 3.23Å; N1283-Q2156 WeakPolarHBondContact O-CG 3.2Å; N1283-Q2156 PolarHBondContact O-NE2 3.08Å; N1283-Q2156 VanDerWaalsContact O-NE2 3.12Å; N1283-Q2156 PolarHBondContact O-OE1 3.31Å; N1283-N2157 WeakPolarHBondContact CA-ND2 3.35Å; N1283-N2157 PolarHBondContact OD1-ND2 3.48Å
1284	H	35.3	Very low	30	Very low	113 Å²	113	98.6 Å²	98.6	52%	0.523	51%	0.512	S	S	.	.			trans	-55.7	126.8	164	-79.9	-26.9	0	0	0	108.8	P2155 Q2156	H1284-P2155 PolarHBondContact CE1-O 3.16Å; H1284-P2155 PolarHBondContact ND1-O 3.13Å; H1284-Q2156 VanDerWaalsContact CA-OE1 3.22Å; H1284-Q2156 PolarHBondContact ND1-OE1 3.25Å
1285	Q	27.8	Very low	30.3	Very low	134 Å²	134	98.2 Å²	98.2	63%	0.626	51%	0.511	S	S	*	.				53.5	85.4	70.2	-66.9	-163.5	-11.5	0	0	114.1	N1283	N1283-Q1285 PolarHBondContact O-N 3.23Å
1286	S	30.3	Very low	30.8	Very low	105 Å²	105	94.1 Å²	94.1	73%	0.734	50%	0.503	S	S	*	.				-179.9	145	106.3	-87.5	0	0	0	0	115.4
1287	K	33.8	Very low	31.3	Very low	188 Å²	188	95.4 Å²	95.4	82%	0.817	51%	0.512	S	S	*	.			trans	57.5	84.7	146.6	-64	175.3	-177	178.3	0	119.1
1288	R	28.9	Very low	31.7	Very low	227 Å²	227	99.4 Å²	99.4	86%	0.857	52%	0.515	S	S	*	.				64.5	113.5	118.6	-76.4	-177.4	155.7	-175.9	-7.6	120.8
1289	L	29	Very low	32.2	Very low	124 Å²	124	106.4 Å²	106.4	65%	0.649	54%	0.537	S	S	*	.				62.7	136.2	120.4	-62.2	167.8	0	0	0	121.4
1290	N	26.8	Very low	32.4	Very low	103 Å²	103	105.8 Å²	105.8	55%	0.551	54%	0.536	S	S	*	.			trans	21.7	114.5	146.1	-58.4	-5.5	0	0	0	118.5
1291	G	32.4	Very low	32.9	Very low	61 Å²	61	113.9 Å²	113.9	63%	0.629	55%	0.553	S	S	*	*			cis	159.3	176.6	-8.4	0	0	0	0	0	114.4
1292	S	33.1	Very low	33.5	Very low	23 Å²	23	116.3 Å²	116.3	16%	0.161	56%	0.558	C	S	.	*			trans	55.8	85.1	154.7	-177.7	0	0	0	0	118.9	S1127	S1127-S1292 WeakPolarHBondContact CB-OG 3.05Å
1293	V	36.7	Very low	33.6	Very low	46 Å²	46	116 Å²	116	28%	0.279	56%	0.558	S	S	.	*				97.2	145.3	80.4	148.7	0	0	0	0	113.2	H397 P398	H397-V1293 WeakPolarHBondContact CA-O 3.17Å; H397-V1293 PolarHBondContact N-O 3.47Å; H397-V1293 VanDerWaalsContact N-O 3.14Å; P398-V1293 VanDerWaalsContact CA-CG1 3.49Å
1294	I	38.2	Very low	34	Very low	54 Å²	54	114.8 Å²	114.8	28%	0.277	55%	0.545	S	S	.	.			cis	-155.3	-177.8	-24.1	-79.8	160.4	0	0	0	105	R1119 T1296 A2341	R1119-I1294 PolarHBondContact NH2-O 2.98Å; I1294-T1296 HydrophobicContact CG2-CG2 4.38Å; I1294-A2341 HydrophobicContact CG1-CB 4.43Å; I1294-A2341 HydrophobicContact CG2-CB 3.7Å
1295	H	35.9	Very low	34.1	Very low	47 Å²	47	116 Å²	116	22%	0.218	56%	0.556	C	S	.	*				133.7	124.5	129.4	-71.6	-69.3	0	0	0	116.8	R1119 Q2340	R1119-H1295 PolarHBondContact NH1-O 3.5Å; H1295-Q2340 VanDerWaalsContact C-NE2 3.3Å; H1295-Q2340 PolarHBondContact O-NE2 3.09Å
1296	T	35.4	Very low	34.5	Very low	65 Å²	65	114.7 Å²	114.7	40%	0.399	55%	0.545	S	S	.	.			cis	-151.9	165.6	-21.2	-14.7	0	0	0	0	110.6	I1294	I1294-T1296 HydrophobicContact CG2-CG2 4.38Å
1297	T	35.6	Very low	34.7	Very low	112 Å²	112	115.2 Å²	115.2	69%	0.687	53%	0.532	S	S	*	.				171.8	158.8	99.4	32.8	0	0	0	0	110.4
1298	R	38	Very low	34.8	Very low	156 Å²	156	112.8 Å²	112.8	59%	0.589	53%	0.528	S	S	*	.			cis	-164.5	155.3	-23.6	-134.8	178.4	-177.2	-151.5	-4	105.5	Y1300	R1298-Y1300 PolarHBondContact NH2-OH 2.86Å
1299	R	34.4	Very low	35.4	Very low	207 Å²	207	104.9 Å²	104.9	78%	0.781	50%	0.502	S	S	*	.				-174	141.7	63.2	-73.1	-171.2	-175	-160.6	1.7	112.5
1300	Y	33.8	Very low	36	Very low	127 Å²	127	102.1 Å²	102.1	50%	0.498	49%	0.486	S	S	.	.			trans	47.3	150.8	134.5	-70.9	-97.5	0	0	0	122.3	R1298 E1302	R1298-Y1300 PolarHBondContact NH2-OH 2.86Å; Y1300-E1302 HydrophobicContact CD1-CG 3.78Å; Y1300-E1302 HydrophobicContact CE1-CG 3.9Å; Y1300-E1302 WeakPolarHBondContact CE1-OE1 3.3Å
1301	R	36.1	Very low	36.5	Very low	232 Å²	232	102.9 Å²	102.9	88%	0.875	48%	0.484	S	S	*	.			cis	-128.6	142.8	9.8	-66.2	178.3	177.7	171.3	-0.5	109.2
1302	E	40.1	Very low	37	Very low	76 Å²	76	106.2 Å²	106.2	36%	0.355	49%	0.488	S	S	.	.				73.7	115.6	51.9	-69.7	-150.8	171.7	0	0	117.5	Q1114 Y1300 R1304	Q1114-E1302 PolarHBondContact NE2-OE1 3.26Å; Q1114-E1302 VanDerWaalsContact OE1-CD 3.22Å; Q1114-E1302 PolarHBondContact OE1-OE1 3.1Å; Y1300-E1302 HydrophobicContact CD1-CG 3.78Å; Y1300-E1302 HydrophobicContact CE1-CG 3.9Å; Y1300-E1302 WeakPolarHBondContact CE1-OE1 3.3Å; E1302-R1304 VanDerWaalsContact CD-NH1 3.29Å; E1302-R1304 IonicContact OE1-NH1 2.64Å; E1302-R1304 PolarHBondContact OE1-NH1 2.8Å; E1302-R1304 IonicContact OE2-NH1 3.41Å; E1302-R1304 PolarHBondContact OE2-NH1 2.96Å
1303	M	33.5	Very low	37.1	Very low	130 Å²	130	107.9 Å²	107.9	64%	0.64	51%	0.509	S	S	*	.				-170.7	157.6	129.1	-99.7	-71.1	-83.8	0	0	109.9	A1554	M1303-A1554 HydrophobicContact CE-CB 3.75Å; M1303-A1554 HydrophobicContact SD-CB 4.04Å
1304	R	39.3	Very low	37.1	Very low	80 Å²	80	113.8 Å²	113.8	30%	0.302	54%	0.539	S	S	.	.			trans	-127.2	161.4	-153.1	-56.3	110	111.5	152	-10.3	117.5	A1113 Q1114 E1302	A1113-R1304 VanDerWaalsContact CA-NE 3.28Å; A1113-R1304 HydrophobicContact CB-CB 3.94Å; A1113-R1304 HydrophobicContact CB-CG 4.08Å; A1113-R1304 PolarHBondContact O-NE 3.48Å; A1113-R1304 PolarHBondContact O-NH2 2.84Å; Q1114-R1304 HydrophobicContact CG-CG 3.87Å; Q1114-R1304 PolarHBondContact O-NH2 2.75Å; Q1114-R1304 VanDerWaalsContact OE1-CG 3.27Å; Q1114-R1304 VanDerWaalsContact OE1-NE 3.1Å; E1302-R1304 VanDerWaalsContact CD-NH1 3.29Å; E1302-R1304 IonicContact OE1-NH1 2.64Å; E1302-R1304 PolarHBondContact OE1-NH1 2.8Å; E1302-R1304 IonicContact OE2-NH1 3.41Å; E1302-R1304 PolarHBondContact OE2-NH1 2.96Å
1305	D	38	Very low	37	Very low	139 Å²	139	114.7 Å²	114.7	74%	0.743	56%	0.561	S	S	*	*			trans	-73.7	166.1	-178.6	-38.1	-96.7	0	0	0	116.4	Y1112	Y1112-D1305 WeakPolarHBondContact CD1-O 3.45Å; Y1112-D1305 WeakPolarHBondContact CE1-O 2.94Å
1306	R	34.9	Very low	37.1	Very low	106 Å²	106	116.3 Å²	116.3	40%	0.4	59%	0.591	S	S	.	*			trans	-168.8	150.3	142.6	-95.7	-156.5	-59.6	-168.8	2.9	108.8	S1111 Y1112	S1111-R1306 PolarHBondContact OG-NH1 3.19Å; Y1112-R1306 HydrophobicContact CD1-CB 4.3Å; Y1112-R1306 HydrophobicContact CD1-CG 3.65Å; Y1112-R1306 VanDerWaalsContact CD2-NE 3.3Å; Y1112-R1306 HydrophobicContact CE1-CB 4.2Å; Y1112-R1306 HydrophobicContact CE1-CG 4.06Å; Y1112-R1306 HydrophobicContact CG-CG 3.97Å; Y1112-R1306 VanDerWaalsContact CG-NE 3.32Å
1307	Y	34.3	Very low	37.1	Very low	116 Å²	116	118.1 Å²	118.1	46%	0.455	61%	0.613	S	S	.	*			cis	-156.3	168.7	31.5	-124.7	-62.4	0	0	0	112.5	R1110 S1111	R1110-Y1307 HydrophobicContact CG-CE1 3.86Å; S1111-Y1307 PolarHBondContact OG-OH 2.9Å
1308	N	36	Very low	37.3	Very low	138 Å²	138	117 Å²	117	74%	0.738	62%	0.615	S	S	*	*			trans	-115.5	-149.6	174.2	-50.5	-43.2	0	0	0	112.3
1309	D	42.5	Very low	37.1	Very low	60 Å²	60	114.4 Å²	114.4	32%	0.321	63%	0.626	S	S	.	*			trans	94.2	117.6	166.1	-42	-9.6	0	0	0	113.5	T1109 R1110	T1109-D1309 HydrophobicContact CG2-CB 4.41Å; R1110-D1309 IonicContact CZ-OD2 3.47Å; R1110-D1309 IonicContact NE-OD2 3.1Å; R1110-D1309 PolarHBondContact NE-OD2 3.41Å; R1110-D1309 IonicContact NH2-OD2 2.75Å; R1110-D1309 PolarHBondContact NH2-OD2 3.08Å
1310	E	40.5	Very low	36.9	Very low	66 Å²	66	108.4 Å²	108.4	31%	0.308	63%	0.629	S	S	.	*			cis	-129.7	-132.7	-4.6	-122.6	-30.1	-80.9	0	0	114.9	R1107 T1109	R1107-E1310 VanDerWaalsContact CD-OE1 3.27Å; R1107-E1310 WeakPolarHBondContact CD-OE1 3.22Å; R1107-E1310 VanDerWaalsContact CZ-O 3.3Å; R1107-E1310 IonicContact CZ-OE1 2.75Å; R1107-E1310 IonicContact NE-OE1 3.54Å; R1107-E1310 PolarHBondContact NH1-O 3.28Å; R1107-E1310 IonicContact NH1-OE1 2.82Å; R1107-E1310 PolarHBondContact NH1-OE1 3.33Å; R1107-E1310 IonicContact NH1-OE2 3.76Å; R1107-E1310 PolarHBondContact NH1-OE2 3.13Å; R1107-E1310 VanDerWaalsContact NH1-OE2 3.1Å; R1107-E1310 PolarHBondContact NH2-O 2.84Å; T1109-E1310 HydrophobicContact CG2-CG 4.17Å
1311	K	38.9	Very low	36.8	Very low	119 Å²	119	106.4 Å²	106.4	52%	0.517	65%	0.647	S	S	.	*			cis	66.8	142.1	27.5	-86.4	-122.2	-63.7	154.8	0	115.2
1312	D	42.6	Very low	36.6	Very low	132 Å²	132	100.9 Å²	100.9	71%	0.706	65%	0.651	S	S	*	*			cis	-124.1	-166.1	19.4	-64.3	-77.8	0	0	0	113.7
1313	G	34.3	Very low	36.2	Very low	58 Å²	58	101 Å²	101	60%	0.598	67%	0.673	S	S	*	*			cis	176.8	172.3	2.1	0	0	0	0	0	113.5
1314	D	36.5	Very low	36	Very low	169 Å²	169	106.1 Å²	106.1	90%	0.904	69%	0.685	S	S	*	*			trans	55.7	142.5	160.8	-50.9	-30.2	0	0	0	121.8
1315	G	36.3	Very low	35.6	Very low	73 Å²	73	108.1 Å²	108.1	75%	0.753	71%	0.711	S	S	*	*			cis	-100.2	174.7	2.1	0	0	0	0	0	115.2
1316	G	37.7	Very low	35.2	Very low	81 Å²	81	104.5 Å²	104.5	84%	0.835	71%	0.707	S	S	*	*			cis	82.4	132.9	9	0	0	0	0	0	112.2
1317	A	37.1	Very low	35	Very low	104 Å²	104	105.9 Å²	105.9	86%	0.86	73%	0.728	S	S	*	*			cis	-140.6	175.8	-3.6	0	0	0	0	0	107.8
1318	A	38.1	Very low	34.8	Very low	88 Å²	88	105.8 Å²	105.8	73%	0.727	74%	0.744	S	S	*	*			cis	-143.9	158.3	23.7	0	0	0	0	0	109.4
1319	A	35.2	Very low	34.7	Very low	101 Å²	101	105.2 Å²	105.2	84%	0.835	75%	0.751	S	S	*	*			cis	65.2	126.9	42.2	0	0	0	0	0	113.4
1320	G	29.7	Very low	34.2	Very low	82 Å²	82	105.6 Å²	105.6	85%	0.845	77%	0.769	S	S	*	*			cis	174.8	158	-7.8	0	0	0	0	0	111.2
1321	G	31.4	Very low	33.7	Very low	85 Å²	85	108.9 Å²	108.9	88%	0.876	79%	0.793	S	S	*	*			trans	177.6	122.1	177.2	0	0	0	0	0	112.8
1322	A	31.8	Very low	33.1	Very low	116 Å²	116	108.6 Å²	108.6	96%	0.959	81%	0.806	S	S	*	*			trans	-105.5	127.4	176.5	0	0	0	0	0	110.2
1323	G	32	Very low	32.5	Very low	79 Å²	79	106.9 Å²	106.9	81%	0.814	81%	0.81	S	S	*	*			trans	-143.4	159.9	179.2	0	0	0	0	0	111.2
1324	R	30.1	Very low	32.1	Very low	236 Å²	236	108.5 Å²	108.5	89%	0.891	81%	0.813	S	S	*	*			trans	-113.1	154.7	-172.8	-66.9	175.8	166.7	-171.3	-3.5	112.2
1325	S	29.4	Very low	31.9	Very low	122 Å²	122	107.3 Å²	107.3	85%	0.853	81%	0.805	S	S	*	*			trans	62.9	153.9	144.3	53	0	0	0	0	120.5
1326	G	30.3	Very low	31.6	Very low	64 Å²	64	109.6 Å²	109.6	66%	0.66	80%	0.798	S	S	*	*			trans	98.7	102.6	170.7	0	0	0	0	0	113.6
1327	T	30.8	Very low	31.4	Very low	135 Å²	135	113.8 Å²	113.8	83%	0.828	79%	0.794	S	S	*	*				81	90.8	76.1	56.8	0	0	0	0	115.9
1328	S	29.8	Very low	31.1	Very low	113 Å²	113	116.7 Å²	116.7	79%	0.79	79%	0.787	S	S	*	*			trans	43.6	118.8	133.8	59.5	0	0	0	0	122.5
1329	S	33.3	Very low	30.5	Very low	126 Å²	126	118.8 Å²	118.8	88%	0.881	79%	0.791	S	S	*	*			trans	-174.4	169.8	131.9	58.9	0	0	0	0	111.2
1330	G	32.1	Very low	30.1	Very low	69 Å²	69	117.7 Å²	117.7	71%	0.711	79%	0.79	S	S	*	*			trans	68.4	111	166	0	0	0	0	0	116.9
1331	V	29.4	Very low	30	Very low	134 Å²	134	121.2 Å²	121.2	81%	0.812	80%	0.795	S	S	*	*			cis	83.6	92	27.5	-168.4	0	0	0	0	115.3
1332	S	28.3	Very low	30.1	Very low	113 Å²	113	119.9 Å²	119.9	79%	0.79	78%	0.782	S	S	*	*			trans	78	152.8	142.1	-62.8	0	0	0	0	122.7
1333	A	28.4	Very low	30.1	Very low	96 Å²	96	117.7 Å²	117.7	79%	0.793	77%	0.77	S	S	*	*			trans	72.2	146.5	158.1	0	0	0	0	0	119
1334	S	27.1	Very low	30	Very low	93 Å²	93	120 Å²	120	65%	0.65	76%	0.764	S	S	*	*			cis	-168.8	177	-22.5	56	0	0	0	0	109.6
1335	I	31.6	Very low	29.8	Very low	143 Å²	143	113 Å²	113	73%	0.733	75%	0.751	S	S	*	*			trans	72.1	143.4	162.6	-61	161.2	0	0	0	115.9
1336	I	30.2	Very low	29.7	Very low	121 Å²	121	114.3 Å²	114.3	62%	0.621	75%	0.748	S	S	*	*			cis	179.1	163.2	-46.9	-97.7	161.4	0	0	0	106.2
1337	F	32.7	Very low	29.6	Very low	169 Å²	169	115.4 Å²	115.4	74%	0.741	75%	0.746	S	S	*	*			trans	78.6	139	177.2	-52.2	-47	0	0	0	116.7
1338	K	30.8	Very low	29.6	Very low	166 Å²	166	120.6 Å²	120.6	72%	0.722	75%	0.75	S	S	*	*			cis	-158.6	152.6	-19.7	-129.7	166	-175.7	173.7	0	111.1
1339	T	26.5	Very low	29.7	Very low	132 Å²	132	117.9 Å²	117.9	81%	0.81	74%	0.74	S	S	*	*			trans	14.6	126.3	149.8	52.2	0	0	0	0	120.2
1340	G	27.5	Very low	29.8	Very low	78 Å²	78	115.3 Å²	115.3	80%	0.804	73%	0.733	S	S	*	*			trans	-170.3	88.9	169.1	0	0	0	0	0	115.8
1341	T	27.6	Very low	29.6	Very low	155 Å²	155	118.7 Å²	118.7	95%	0.951	74%	0.735	S	S	*	*			trans	-32.3	152.8	165.6	-42.8	0	0	0	0	117.7
1342	G	32.2	Very low	29.5	Very low	58 Å²	58	119.9 Å²	119.9	60%	0.598	73%	0.732	S	S	*	*			trans	134	102.3	158.9	0	0	0	0	0	114.2
1343	G	31.7	Very low	29.6	Very low	70 Å²	70	120.2 Å²	120.2	72%	0.722	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-87.2	143.7	179	0	0	0	0	0	113.3
1344	N	30	Very low	29.5	Very low	128 Å²	128	120 Å²	120	68%	0.684	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-92.5	162.8	162.1	-160.1	5.8	0	0	0	111	F1097	F1097-N1344 HydrophobicContact CD1-CB 4.28Å; F1097-N1344 HydrophobicContact CE1-CB 3.64Å; F1097-N1344 HydrophobicContact CZ-CB 4.31Å; F1097-N1344 VanDerWaalsContact CZ-N 3.28Å
1345	S	27.2	Very low	29.7	Very low	88 Å²	88	118.2 Å²	118.2	62%	0.615	72%	0.722	S	S	*	*	S	Bend	trans	-60	155	-158.5	-48.9	0	0	0	0	117.6
1346	N	26	Very low	29.6	Very low	149 Å²	149	115.7 Å²	115.7	80%	0.797	71%	0.71	S	S	*	*			trans	60.2	109.8	151.7	-56.1	-14.7	0	0	0	118.3
1347	S	27.8	Very low	29.7	Very low	87 Å²	87	112.1 Å²	112.1	61%	0.608	70%	0.703	S	S	*	*				161.3	99.4	115.9	-75.8	0	0	0	0	114
1348	R	32	Very low	29.7	Very low	245 Å²	245	108 Å²	108	93%	0.925	71%	0.709	S	S	*	*			trans	-147.1	136.8	137	-67.5	-164.7	177.7	169.2	1.1	107.8
1349	G	31.5	Very low	30	Very low	56 Å²	56	108.5 Å²	108.5	58%	0.577	71%	0.713	S	S	*	*			cis	114.3	123.3	-1.1	0	0	0	0	0	111.8
1350	G	34.4	Very low	30.7	Very low	71 Å²	71	106.4 Å²	106.4	73%	0.732	70%	0.7	S	S	*	*			trans	82.3	136.6	-164	0	0	0	0	0	110.7
1351	N	27.8	Very low	31.2	Very low	140 Å²	140	109.8 Å²	109.8	75%	0.749	70%	0.7	S	S	*	*			cis	55.1	88.5	8.6	-143	23.6	0	0	0	115.4
1352	Q	27.6	Very low	31.6	Very low	159 Å²	159	108 Å²	108	74%	0.743	69%	0.694	S	S	*	*			trans	40.4	91.3	134.4	-56.8	-179.2	12	0	0	117.8
1353	C	30.5	Very low	31.9	Very low	121 Å²	121	108.9 Å²	108.9	82%	0.818	70%	0.696	S	S	*	*				-139.9	116.2	112.8	-81.1	0	0	0	0	106.1
1354	S	27.5	Very low	32.1	Very low	90 Å²	90	111.7 Å²	111.7	63%	0.629	70%	0.699	S	S	*	*			cis	74.4	61.3	48.7	87.1	0	0	0	0	114.6
1355	G	31.1	Very low	32.2	Very low	57 Å²	57	112 Å²	112	59%	0.588	70%	0.7	S	S	*	*				-91.8	151.6	122.1	0	0	0	0	0	108.6
1356	N	29.6	Very low	32.6	Very low	89 Å²	89	117 Å²	117	48%	0.476	71%	0.711	S	S	.	*			cis	46.3	112.1	15.9	-66.2	-17.7	0	0	0	113.5	S1448	N1356-S1448 CarbonylContact C-O 3.57Å; N1356-S1448 CarbonylContact O-C 3.57Å
1357	G	32.6	Very low	33.2	Very low	47 Å²	47	115.7 Å²	115.7	49%	0.485	71%	0.708	S	S	.	*			cis	168.8	119.8	-8.3	0	0	0	0	0	108	H1359 S1448	G1357-H1359 PolarHBondContact O-N 3.38Å; G1357-S1448 PolarHBondContact N-O 3.31Å; G1357-S1448 VanDerWaalsContact N-O 3.17Å
1358	G	32.5	Very low	33.5	Very low	83 Å²	83	117.2 Å²	117.2	86%	0.856	71%	0.71	S	S	*	*			trans	-77	109	-177.4	0	0	0	0	0	111.1
1359	H	37.5	Very low	33.5	Very low	175 Å²	175	113.8 Å²	113.8	81%	0.81	70%	0.704	S	S	*	*			trans	-93.7	92.9	159.2	-144.8	-56.1	0	0	0	108.2	G1357	G1357-H1359 PolarHBondContact O-N 3.38Å
1360	T	40.9	Very low	33.7	Very low	88 Å²	88	114.5 Å²	114.5	54%	0.54	71%	0.711	S	S	.	*			trans	44.7	112.9	145.9	64.6	0	0	0	0	120.3
1361	D	36.8	Very low	33.8	Very low	150 Å²	150	120.1 Å²	120.1	80%	0.802	72%	0.715	S	S	*	*				63.9	152.9	106.6	-53.4	-25.7	0	0	0	121.1
1362	S	37.3	Very low	33.8	Very low	116 Å²	116	121.5 Å²	121.5	81%	0.811	72%	0.718	S	S	*	*			cis	-164.2	172.3	-9.8	43.5	0	0	0	0	111.8
1363	A	37	Very low	34.2	Very low	78 Å²	78	118.7 Å²	118.7	65%	0.645	72%	0.716	S	S	*	*			trans	-171.6	151.4	174.2	0	0	0	0	0	110.1
1364	V	36.4	Very low	34.2	Very low	129 Å²	129	119.6 Å²	119.6	78%	0.782	71%	0.712	S	S	*	*			cis	-163.6	163.8	-43.5	-106.7	0	0	0	0	105.2
1365	D	32	Very low	34.2	Very low	134 Å²	134	123.4 Å²	123.4	72%	0.717	73%	0.725	S	S	*	*			cis	-157.2	157.6	11.6	-139.7	-46.6	0	0	0	110.8
1366	F	35.3	Very low	34.4	Very low	192 Å²	192	125.6 Å²	125.6	84%	0.842	73%	0.732	S	S	*	*			trans	-167.2	98.9	154.5	-137.3	-81.9	0	0	0	113.4
1367	V	38.5	Very low	34.7	Very low	122 Å²	122	129.1 Å²	129.1	74%	0.739	75%	0.746	S	S	*	*			trans	66.4	140.8	156.9	167.3	0	0	0	0	117.3
1368	D	34.7	Very low	34.9	Very low	120 Å²	120	132.8 Å²	132.8	64%	0.642	76%	0.758	S	S	*	*			cis	-167.2	-175.3	-23.1	-170.5	9.1	0	0	0	106.8
1369	Q	32.2	Very low	35	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	75%	0.745	S	S	*	*			trans	-19.6	132.7	167.1	-65	155.5	83	0	0	116.5
1370	G	36.3	Very low	34.9	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	74%	0.736	S	S	*	*			cis	158	-171.5	0.7	0	0	0	0	0	111.9
1371	K	35.4	Very low	34.4	Very low	189 Å²	189	132.2 Å²	132.2	82%	0.822	75%	0.748	S	S	*	*			trans	69.8	132.3	175.5	-59.2	-178.2	179.6	178.2	0	118.5
1372	Q	29	Very low	34.5	Very low	170 Å²	170	130.9 Å²	130.9	79%	0.794	75%	0.746	S	S	*	*			trans	38.5	117.1	133.7	-58.1	162.5	-50.5	0	0	117.3
1373	S	34.2	Very low	34.4	Very low	100 Å²	100	129 Å²	129	70%	0.699	74%	0.738	S	S	*	*				180	159.4	67.9	41.3	0	0	0	0	112.6
1374	N	31.1	Very low	34.2	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	74%	0.744	S	S	*	*			trans	45.2	125.2	156.3	-48.5	-6	0	0	0	118.9
1375	N	26.9	Very low	34.1	Very low	170 Å²	170	133.6 Å²	133.6	91%	0.909	75%	0.747	S	S	*	*			cis	56.3	76.9	7.9	-103.5	21.5	0	0	0	116.8
1376	S	36.7	Very low	34.4	Very low	104 Å²	104	132.7 Å²	132.7	73%	0.727	75%	0.748	S	S	*	*			trans	-161.8	133.2	144.7	51.1	0	0	0	0	109.6
1377	E	36.5	Very low	34.3	Very low	163 Å²	163	129.4 Å²	129.4	76%	0.762	74%	0.739	S	S	*	*			cis	-141.1	-137.3	-35.5	-146.3	-174.6	130.4	0	0	107.1	V1379	E1377-V1379 WeakPolarHBondContact OE1-CG2 3.49Å
1378	V	36	Very low	34.7	Very low	124 Å²	124	126.4 Å²	126.4	75%	0.752	72%	0.718	S	S	*	*			cis	-164.6	147.2	0.2	92.7	0	0	0	0	104.5
1379	V	34.6	Very low	34.8	Very low	95 Å²	95	128.1 Å²	128.1	58%	0.576	72%	0.723	S	S	*	*			cis	-150.5	112.2	-19.5	117.8	0	0	0	0	104.4	E1377	E1377-V1379 WeakPolarHBondContact OE1-CG2 3.49Å
1380	S	34.6	Very low	35.1	Very low	88 Å²	88	124.8 Å²	124.8	62%	0.615	71%	0.71	S	S	*	*				79.8	162.3	99	-53.2	0	0	0	0	116.3
1381	N	32	Very low	35.1	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	72%	0.717	S	S	*	*			trans	78.6	125.7	160.8	-62.1	-12.4	0	0	0	118
1382	T	38.3	Very low	35.5	Very low	123 Å²	123	128.4 Å²	128.4	76%	0.755	72%	0.719	S	S	*	*			cis	-148.4	140.6	3.3	-73.5	0	0	0	0	113
1383	A	35	Very low	35.9	Very low	77 Å²	77	127.9 Å²	127.9	64%	0.636	72%	0.721	S	S	*	*			trans	13.9	114	160	0	0	0	0	0	120.9
1384	N	31.7	Very low	36.2	Very low	146 Å²	146	127.4 Å²	127.4	78%	0.781	72%	0.718	S	S	*	*				30.2	124.2	108	-48.4	-5	0	0	0	118.6
1385	D	36.1	Very low	36.7	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	73%	0.726	S	S	*	*				-166.9	167.9	95.5	-105.7	-2.4	0	0	0	112.3
1386	P	37.3	Very low	37.1	Very low	115 Å²	115	127.7 Å²	127.7	75%	0.747	71%	0.708	S	S	*	*			trans	-111.1	-179	-149	41.8	-37.8	0	0	0	118.4
1387	L	34	Very low	37.2	Very low	124 Å²	124	128.6 Å²	128.6	65%	0.649	70%	0.704	S	S	*	*			trans	-53.2	160.4	168.2	-69	173.5	0	0	0	114.7
1388	D	46.5	Very low	37.1	Very low	58 Å²	58	125.5 Å²	125.5	31%	0.31	70%	0.696	S	S	.	*			cis	-170.9	157.7	-15.8	-168.8	-6.2	0	0	0	107.1	Q1049 Y1050	Q1049-D1388 WeakPolarHBondContact CB-OD2 3.39Å; Q1049-D1388 PolarHBondContact N-OD1 3.42Å; Y1050-D1388 PolarHBondContact N-OD2 3.05Å
1389	E	36.6	Very low	37.3	Very low	157 Å²	157	123.3 Å²	123.3	73%	0.734	67%	0.674	S	S	*	*			trans	-144.6	107.1	169.6	-87.8	-123	112.5	0	0	113.4
1390	N	39	Very low	37.7	Very low	103 Å²	103	125.3 Å²	125.3	55%	0.551	67%	0.671	S	S	*	*				40.9	125.2	121	-57.3	-49.5	0	0	0	120.1
1391	N	36	Very low	38.1	Very low	161 Å²	161	122 Å²	122	86%	0.861	65%	0.645	S	S	*	*				175.4	158.6	97.3	-154.5	-18.3	0	0	0	111.8
1392	M	44.3	Very low	38.8	Very low	173 Å²	173	115.8 Å²	115.8	85%	0.852	61%	0.612	S	S	*	*			trans	-134	135.5	-176.2	-77.3	-92.3	-164.5	0	0	111.6
1393	N	35.8	Very low	39.5	Very low	159 Å²	159	111.2 Å²	111.2	85%	0.85	59%	0.586	S	S	*	*			trans	-154.3	156.4	149.3	-148.3	-11.1	0	0	0	115
1394	S	41.7	Very low	39.4	Very low	91 Å²	91	107.8 Å²	107.8	64%	0.636	56%	0.557	S	S	*	*			trans	-52.7	152.8	-175.9	-51.3	0	0	0	0	118.2
1395	R	41	Very low	39.9	Very low	239 Å²	239	102.1 Å²	102.1	90%	0.902	53%	0.534	S	S	*	.			trans	43.7	167.9	131.4	-69.3	-174.8	170.7	-171.9	-2.8	121
1396	S	36.3	Very low	40.5	Very low	76 Å²	76	99.2 Å²	99.2	53%	0.531	52%	0.522	S	S	.	.			trans	75.9	108.5	-175.6	78.1	0	0	0	0	114.7	R1036	R1036-S1396 PolarHBondContact NH1-O 2.91Å; R1036-S1396 PolarHBondContact NH1-OG 2.88Å
1397	L	38.5	Very low	40.5	Very low	123 Å²	123	96.7 Å²	96.7	64%	0.644	51%	0.507	S	S	*	.	S	Bend	trans	67.2	147.4	159.3	-67.7	148.5	0	0	0	117.4
1398	T	33.8	Very low	41	Very low	97 Å²	97	95.3 Å²	95.3	60%	0.595	51%	0.508	S	S	*	.	S	Bend		12.3	118.7	122.3	-43.6	0	0	0	0	113.4	R1036	R1036-T1398 WeakPolarHBondContact CD-O 3.16Å; R1036-T1398 WeakPolarHBondContact CG-O 2.97Å
1399	R	40.9	Very low	41.1	Very low	79 Å²	79	104 Å²	104	30%	0.298	54%	0.536	S	S	.	.			trans	67.4	105.6	171.5	-55.8	173.2	-178.6	-132.9	-2.3	111.7	R1036 R1401 T1467 F1468	R1036-R1399 HydrophobicContact CG-CB 3.82Å; R1399-R1401 HydrophobicContact CB-CG 3.43Å; R1399-R1401 VanDerWaalsContact CB-CG 3.43Å; R1399-R1401 HydrophobicContact CG-CG 3.55Å; R1399-T1467 PolarHBondContact NH1-O 2.61Å; R1399-T1467 VanDerWaalsContact NH1-O 3.14Å; R1399-F1468 PolarHBondContact NH1-O 3.34Å
1400	R	41.7	Very low	41.3	Very low	136 Å²	136	102.4 Å²	102.4	51%	0.513	54%	0.539	S	S	.	.			cis	34	177.3	49.4	-175.4	-170.4	170.7	-150.5	6.6	109.6	Y1046 Q1402	Y1046-R1400 PolarHBondContact OH-NE 2.73Å; Y1046-R1400 PolarHBondContact OH-NH2 3.02Å; R1400-Q1402 HydrophobicContact CG-CG 3.72Å; R1400-Q1402 VanDerWaalsContact CZ-CG 3.42Å; R1400-Q1402 VanDerWaalsContact NE-CG 3.34Å
1401	R	43.1	Very low	41.4	Very low	19 Å²	19	102.2 Å²	102.2	7%	0.072	55%	0.552	C	S	.	*				175.5	151.5	124.8	-89.7	-97.3	111	162.8	-12.7	110.5	Y1033 S1034 R1399 T1466 T1467	Y1033-R1401 CarbonylContact C-O 3.48Å; Y1033-R1401 WeakPolarHBondContact CD1-O 3.1Å; Y1033-R1401 WeakPolarHBondContact CD2-O 3.48Å; Y1033-R1401 WeakPolarHBondContact CE1-O 3.31Å; Y1033-R1401 WeakPolarHBondContact CE2-O 2.91Å; Y1033-R1401 CarbonylContact O-C 3.2Å; Y1033-R1401 WeakPolarHBondContact O-CB 3.41Å; S1034-R1401 WeakPolarHBondContact O-CB 3.32Å; S1034-R1401 WeakPolarHBondContact O-CG 3.32Å; R1399-R1401 HydrophobicContact CB-CG 3.43Å; R1399-R1401 VanDerWaalsContact CB-CG 3.43Å; R1399-R1401 HydrophobicContact CG-CG 3.55Å; R1401-T1466 VanDerWaalsContact CZ-O 3.32Å; R1401-T1466 PolarHBondContact NH1-O 2.82Å; R1401-T1466 PolarHBondContact NH2-O 3.14Å; R1401-T1467 PolarHBondContact NH1-O 3Å
1402	Q	47.7	Very low	41.5	Very low	20 Å²	20	99.1 Å²	99.1	9%	0.093	55%	0.548	C	S	.	.			cis	137.7	137.6	-23.2	-87.2	162	102.1	0	0	111.9	Y1033 R1400 V1404 F1468	Y1033-Q1402 PolarHBondContact O-N 2.73Å; R1400-Q1402 HydrophobicContact CG-CG 3.72Å; R1400-Q1402 VanDerWaalsContact CZ-CG 3.42Å; R1400-Q1402 VanDerWaalsContact NE-CG 3.34Å; Q1402-V1404 VanDerWaalsContact C-N 3.33Å; Q1402-V1404 WeakPolarHBondContact O-CG2 3.04Å; Q1402-F1468 PolarHBondContact O-N 3.11Å
1403	A	52.5	Low	41.1	Very low	27 Å²	27	94.5 Å²	94.5	22%	0.223	55%	0.545	C	S	.	.			cis	-46	-55	-21.1	0	0	0	0	0	111
1404	V	34	Very low	41	Very low	4 Å²	4	90.1 Å²	90.1	2%	0.024	54%	0.538	C	S	.	.			cis	-133.2	112.4	-49.2	-110.1	0	0	0	0	102.5	F1030 S1031 S1032 Y1045 Q1402 T1467 F1468	F1030-V1404 VanDerWaalsContact C-CG1 3.4Å; F1030-V1404 VanDerWaalsContact CA-CG1 3.44Å; S1031-V1404 VanDerWaalsContact CA-C 3.43Å; S1031-V1404 WeakPolarHBondContact CA-O 3.11Å; S1032-V1404 VanDerWaalsContact CA-O 3.22Å; S1032-V1404 WeakPolarHBondContact CA-O 3.26Å; Y1045-V1404 PolarHBondContact OH-O 2.75Å; Q1402-V1404 VanDerWaalsContact C-N 3.33Å; Q1402-V1404 WeakPolarHBondContact O-CG2 3.04Å; V1404-T1467 HydrophobicContact CG1-CG2 4.2Å; V1404-F1468 HydrophobicContact CG2-CD2 3.95Å; V1404-F1468 HydrophobicContact CG2-CE2 3.9Å
1405	G	41.6	Very low	41	Very low	28 Å²	28	92.3 Å²	92.3	29%	0.289	54%	0.541	S	S	.	.			trans	61.8	173.9	169.8	0	0	0	0	0	120.7	S1031 Y1045	S1031-G1405 VanDerWaalsContact N-N 3.15Å; Y1045-G1405 PolarHBondContact OH-O 3.1Å; Y1045-G1405 VanDerWaalsContact OH-O 3.07Å
1406	T	48.2	Very low	40.7	Very low	95 Å²	95	85 Å²	85	58%	0.583	53%	0.532	S	S	*	.				2	140.9	109	38.2	0	0	0	0	115.9	S1031 S1032 Y1045	S1031-T1406 PolarHBondContact OG-O 2.75Å; S1031-T1406 PolarHBondContact OG-OG1 2.78Å; S1032-T1406 PolarHBondContact OG-O 2.97Å; Y1045-T1406 PolarHBondContact OH-O 2.96Å
1407	S	36.9	Very low	40.9	Very low	61 Å²	61	86.6 Å²	86.6	43%	0.427	53%	0.534	S	S	.	.			cis	-111.6	166.6	12.5	45.9	0	0	0	0	112	Y1045	Y1045-S1407 WeakPolarHBondContact CE1-O 3.36Å; Y1045-S1407 PolarHBondContact OH-N 3.24Å
1408	S	45.4	Very low	40.7	Very low	96 Å²	96	88.3 Å²	88.3	67%	0.671	54%	0.539	S	S	*	.			cis	79.8	81.6	17.7	84.7	0	0	0	0	117.5
1409	R	47.6	Very low	41.2	Very low	241 Å²	241	88.8 Å²	88.8	91%	0.909	54%	0.542	S	S	*	.			trans	72.6	166	154.1	-86.3	174.7	155.5	-167.9	-8.3	116.1
1410	P	40.6	Very low	41.4	Very low	122 Å²	122	92.6 Å²	92.6	79%	0.792	56%	0.563	S	S	*	*			cis	-124.2	179	15.7	42.9	-28.8	0	0	0	118
1411	A	41.4	Very low	41.1	Very low	99 Å²	99	92 Å²	92	82%	0.818	58%	0.578	S	S	*	*			trans	-12.5	117.2	167.7	0	0	0	0	0	119.8
1412	A	38.1	Very low	41	Very low	96 Å²	96	95 Å²	95	79%	0.793	60%	0.602	S	S	*	*				-176.6	131.7	109.5	0	0	0	0	0	108.4
1413	G	37.2	Very low	40.7	Very low	76 Å²	76	102.4 Å²	102.4	78%	0.784	63%	0.634	S	S	*	*			cis	99	95.1	0.9	0	0	0	0	0	111.8
1414	G	33.6	Very low	40.1	Very low	68 Å²	68	107 Å²	107	70%	0.701	66%	0.659	S	S	*	*			trans	71.1	171.8	-168.2	0	0	0	0	0	112.3
1415	I	41.4	Very low	40.5	Very low	136 Å²	136	111.9 Å²	111.9	70%	0.697	69%	0.693	S	S	*	*			cis	-141.5	124	-10.4	25.8	177	0	0	0	104.3	L1417	I1415-L1417 HydrophobicContact CB-CG 4.26Å; I1415-L1417 HydrophobicContact CD1-CD1 4.26Å; I1415-L1417 HydrophobicContact CG2-CG 4.49Å
1416	A	35.1	Very low	40.5	Very low	87 Å²	87	115.3 Å²	115.3	72%	0.719	71%	0.713	S	S	*	*				63.9	-172.1	66.6	0	0	0	0	0	111.7
1417	L	38.7	Very low	40	Very low	108 Å²	108	115.6 Å²	115.6	57%	0.565	72%	0.719	S	S	*	*			trans	74.3	103.6	176.4	-41.1	-173.8	0	0	0	111.9	I1415	I1415-L1417 HydrophobicContact CB-CG 4.26Å; I1415-L1417 HydrophobicContact CD1-CD1 4.26Å; I1415-L1417 HydrophobicContact CG2-CG 4.49Å
1418	Q	34.7	Very low	40.3	Very low	160 Å²	160	118.2 Å²	118.2	75%	0.748	73%	0.734	S	S	*	*				83.2	165.9	83	-76.8	163.2	0.2	0	0	110.7
1419	T	45.1	Very low	39.6	Very low	107 Å²	107	119.1 Å²	119.1	66%	0.656	74%	0.741	S	S	*	*			cis	-140.7	163.4	12	-12.6	0	0	0	0	107.1
1420	E	44.3	Very low	39	Very low	158 Å²	158	114.2 Å²	114.2	74%	0.738	74%	0.737	S	S	*	*			cis	-155.8	144.7	15.9	-161.1	147.1	-149.1	0	0	112.6
1421	C	35.5	Very low	38.7	Very low	123 Å²	123	115.8 Å²	115.8	83%	0.831	74%	0.737	S	S	*	*			trans	-114	135.8	166.9	-63.7	0	0	0	0	109
1422	S	40.3	Very low	38.4	Very low	82 Å²	82	116.7 Å²	116.7	57%	0.573	74%	0.738	S	S	*	*			trans	-173.6	153.2	174.2	-82.7	0	0	0	0	110.8
1423	K	43.1	Very low	38.3	Very low	176 Å²	176	115.6 Å²	115.6	77%	0.765	74%	0.735	S	S	*	*			cis	-164.4	151	-7	-104.1	163.7	-172.9	93.5	0	106.2
1424	V	40.2	Very low	38.4	Very low	125 Å²	125	118.5 Å²	118.5	76%	0.758	74%	0.738	S	S	*	*			cis	-165.1	146.3	-21.3	58.3	0	0	0	0	108.1
1425	S	42.4	Very low	38.6	Very low	106 Å²	106	120.5 Å²	120.5	74%	0.741	74%	0.736	S	S	*	*			trans	-164.1	142.4	-175.3	40.7	0	0	0	0	110.4
1426	S	41.1	Very low	38.6	Very low	100 Å²	100	121.7 Å²	121.7	70%	0.699	74%	0.739	S	S	*	*			cis	65.3	155.8	-10.5	90.9	0	0	0	0	117.9
1427	S	37.2	Very low	38.9	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	74%	0.741	S	S	*	*			cis	-145.4	160.1	13.6	-64.3	0	0	0	0	111.9
1428	P	42.3	Very low	38.8	Very low	115 Å²	115	126 Å²	126	75%	0.747	74%	0.742	S	S	*	*	S	Bend	cis	-141.5	132.3	-29.5	34.5	-15.9	0	0	0	114.9
1429	S	32.3	Very low	39	Very low	116 Å²	116	123.7 Å²	123.7	81%	0.811	73%	0.731	S	S	*	*			trans	-173.5	125.4	135.6	19	0	0	0	0	113.1
1430	V	34.2	Very low	38.5	Very low	137 Å²	137	125.8 Å²	125.8	83%	0.83	73%	0.732	S	S	*	*			trans	-13.7	137.1	153.4	-90.5	0	0	0	0	117
1431	I	34.1	Very low	38.2	Very low	155 Å²	155	122.9 Å²	122.9	80%	0.795	73%	0.729	S	S	*	*			cis	-139.4	154.5	16	-58	-178.1	0	0	0	111.6
1432	S	35.7	Very low	38.2	Very low	119 Å²	119	124 Å²	124	83%	0.832	72%	0.721	S	S	*	*			trans	-18	146.5	170	-46.5	0	0	0	0	120.2
1433	G	35.9	Very low	37.8	Very low	72 Å²	72	127.7 Å²	127.7	74%	0.742	73%	0.734	S	S	*	*			cis	167.3	119.5	-5	0	0	0	0	0	114.3
1434	T	39	Very low	37.3	Very low	137 Å²	137	124.4 Å²	124.4	84%	0.84	73%	0.733	S	S	*	*			trans	-146.7	172	167.7	42.4	0	0	0	0	108.2
1435	V	38.3	Very low	36.8	Very low	110 Å²	110	122.6 Å²	122.6	67%	0.667	74%	0.74	S	S	*	*				168.6	158.1	100.2	151.9	0	0	0	0	110.2
1436	Q	41.7	Very low	36.4	Very low	161 Å²	161	120.8 Å²	120.8	75%	0.752	74%	0.737	S	S	*	*			trans	83.1	115.3	165.7	-81.9	159.3	52.4	0	0	118
1437	K	40.1	Very low	35.8	Very low	176 Å²	176	121.5 Å²	121.5	77%	0.765	74%	0.742	S	S	*	*				85.7	146.9	63.2	-76.4	-162.9	-169	-178.5	0	110.7
1438	N	37.5	Very low	35.7	Very low	109 Å²	109	120.4 Å²	120.4	58%	0.583	74%	0.735	S	S	*	*			cis	-163.8	167.6	5.6	-118.8	18.9	0	0	0	108.5
1439	E	38.3	Very low	35.2	Very low	112 Å²	112	119.5 Å²	119.5	52%	0.523	73%	0.727	S	S	.	*			cis	-168.1	158.7	-10.8	-137.4	174	-149.1	0	0	110.3
1440	K	36	Very low	35.3	Very low	152 Å²	152	119.9 Å²	119.9	66%	0.661	72%	0.72	S	S	*	*			trans	55.7	155.7	148	-78.8	159.6	-157.1	157.8	0	120.2
1441	S	36.8	Very low	35.3	Very low	97 Å²	97	120.4 Å²	120.4	68%	0.678	71%	0.714	S	S	*	*			cis	-150.5	147.2	-1.6	24	0	0	0	0	112.9
1442	H	35.3	Very low	35.3	Very low	146 Å²	146	120.3 Å²	120.3	68%	0.676	71%	0.71	S	S	*	*			trans	12.9	139	148.2	-42.6	-69.6	0	0	0	121
1443	L	32.6	Very low	35.4	Very low	159 Å²	159	119 Å²	119	83%	0.832	70%	0.7	S	S	*	*			cis	-164.9	123.9	-16.4	-123.2	168.9	0	0	0	107.1
1444	S	32.6	Very low	35.4	Very low	108 Å²	108	119 Å²	119	76%	0.755	69%	0.693	S	S	*	*			trans	-93.3	142	179.2	56.4	0	0	0	0	112.4
1445	G	28.8	Very low	35.3	Very low	87 Å²	87	121.4 Å²	121.4	90%	0.897	69%	0.688	S	S	*	*			trans	-69.5	131.6	165.6	0	0	0	0	0	112.2
1446	G	34.7	Very low	35.4	Very low	67 Å²	67	124.2 Å²	124.2	69%	0.691	69%	0.687	S	S	*	*			trans	152.3	91.7	179.3	0	0	0	0	0	110.4
1447	S	29.3	Very low	35.1	Very low	115 Å²	115	120.8 Å²	120.8	80%	0.804	68%	0.681	S	S	*	*				77.3	109.6	74.5	-172.4	0	0	0	0	113.1
1448	S	33.7	Very low	34.7	Very low	78 Å²	78	118 Å²	118	55%	0.545	67%	0.674	S	S	.	*			trans	-139.4	114.2	173.3	47.1	0	0	0	0	111	N1356 G1357	N1356-S1448 CarbonylContact C-O 3.57Å; N1356-S1448 CarbonylContact O-C 3.57Å; G1357-S1448 PolarHBondContact N-O 3.31Å; G1357-S1448 VanDerWaalsContact N-O 3.17Å
1449	T	32.6	Very low	34.8	Very low	96 Å²	96	119 Å²	119	59%	0.589	69%	0.685	S	S	*	*			trans	-76.9	142.9	176.1	48.5	0	0	0	0	112.3	Q1451	T1449-Q1451 PolarHBondContact O-N 2.84Å
1450	N	33.5	Very low	34.9	Very low	124 Å²	124	124.1 Å²	124.1	66%	0.663	70%	0.699	S	S	*	*			trans	-59.4	128.5	167.5	-96.1	-48.3	0	0	0	113.2
1451	Q	34.5	Very low	35.1	Very low	149 Å²	149	119.6 Å²	119.6	70%	0.696	69%	0.69	S	S	*	*			trans	-160.2	152	159.7	-72.1	-158.5	16.8	0	0	106.7	T1449	T1449-Q1451 PolarHBondContact O-N 2.84Å
1452	H	35.1	Very low	35.1	Very low	153 Å²	153	119.5 Å²	119.5	71%	0.708	69%	0.689	S	S	*	*			cis	-149.1	-176.9	-13.1	-107.7	123.3	0	0	0	105.5
1453	S	38.1	Very low	35.2	Very low	90 Å²	90	120.3 Å²	120.3	63%	0.629	69%	0.686	S	S	*	*			cis	-152.7	153	15	-157.1	0	0	0	0	106.1
1454	A	35.4	Very low	35.1	Very low	72 Å²	72	117 Å²	117	60%	0.595	68%	0.675	S	S	*	*			cis	70.6	119.7	36.2	0	0	0	0	0	115.9
1455	Y	36.8	Very low	35.1	Very low	189 Å²	189	114.5 Å²	114.5	74%	0.741	67%	0.667	S	S	*	*			trans	176.8	162.1	157.4	-94.3	-51	0	0	0	109.4
1456	R	39	Very low	35.2	Very low	168 Å²	168	112.7 Å²	112.7	63%	0.634	64%	0.638	S	S	*	*			cis	-149.9	139.8	-2.3	-133.2	133.7	-157.3	-73.5	-0.2	106.8
1457	S	35.6	Very low	35	Very low	90 Å²	90	112.9 Å²	112.9	63%	0.629	63%	0.626	S	S	*	*				74.1	160.8	68.6	-39.2	0	0	0	0	114.5
1458	N	33.1	Very low	35.1	Very low	117 Å²	117	108.8 Å²	108.8	63%	0.626	59%	0.594	S	S	*	*			cis	-123.6	-132.1	18.6	-54.1	-81.1	0	0	0	111.6
1459	T	39.8	Very low	35.1	Very low	131 Å²	131	110.1 Å²	110.1	80%	0.804	59%	0.588	S	S	*	*			cis	-168.3	177.8	0.9	-9.4	0	0	0	0	107.2
1460	R	40.2	Very low	35.2	Very low	219 Å²	219	106 Å²	106	83%	0.826	56%	0.562	S	S	*	*			cis	-161.9	113.4	-5.2	178.5	-174.2	176.7	-178.6	-0.5	111.1
1461	A	38.8	Very low	35.4	Very low	57 Å²	57	103.9 Å²	103.9	47%	0.471	55%	0.547	S	S	.	.			trans	60.7	165.3	156.6	0	0	0	0	0	119.5	H2253	A1461-H2253 PolarHBondContact O-CD2 2.94Å
1462	S	37.4	Very low	35.5	Very low	94 Å²	94	100.3 Å²	100.3	66%	0.657	53%	0.527	S	S	*	.			cis	-144.2	135.2	-0.1	-120.5	0	0	0	0	109
1463	R	36.7	Very low	35.4	Very low	163 Å²	163	98.8 Å²	98.8	62%	0.615	52%	0.524	S	S	*	.				74.1	144.5	56.7	-67.4	177.3	173	-115.8	8.1	113.9
1464	C	30.8	Very low	35.1	Very low	90 Å²	90	101.1 Å²	101.1	61%	0.608	53%	0.529	S	S	*	.			cis	-157.6	-174.6	-2.5	-129.6	0	0	0	0	113.7
1465	G	33.9	Very low	35	Very low	56 Å²	56	105.9 Å²	105.9	58%	0.577	54%	0.541	S	S	*	.			trans	-157.4	132.6	163.8	0	0	0	0	0	111.8
1466	T	29.6	Very low	34.8	Very low	48 Å²	48	102.3 Å²	102.3	29%	0.294	54%	0.544	S	S	.	.			trans	-126.9	177.3	-145.4	33.4	0	0	0	0	117	R1401	R1401-T1466 VanDerWaalsContact CZ-O 3.32Å; R1401-T1466 PolarHBondContact NH1-O 2.82Å; R1401-T1466 PolarHBondContact NH2-O 3.14Å
1467	T	31	Very low	34.8	Very low	71 Å²	71	99.5 Å²	99.5	44%	0.436	55%	0.55	S	S	.	*			trans	62.9	112.8	145.8	41.2	0	0	0	0	126.5	R1399 R1401 V1404	R1399-T1467 PolarHBondContact NH1-O 2.61Å; R1399-T1467 VanDerWaalsContact NH1-O 3.14Å; R1401-T1467 PolarHBondContact NH1-O 3Å; V1404-T1467 HydrophobicContact CG1-CG2 4.2Å
1468	F	31.2	Very low	34.6	Very low	29 Å²	29	103.3 Å²	103.3	13%	0.127	56%	0.562	C	S	.	*			trans	55.4	145.4	134.3	-106.4	-71.6	0	0	0	130	S1032 Y1033 S1034 R1399 Q1402 V1404	S1032-F1468 VanDerWaalsContact C-CE2 3.4Å; S1032-F1468 WeakPolarHBondContact O-CE2 3.07Å; S1032-F1468 WeakPolarHBondContact O-CZ 3.44Å; Y1033-F1468 WeakPolarHBondContact O-CE2 3.05Å; S1034-F1468 WeakPolarHBondContact O-CA 2.98Å; S1034-F1468 WeakPolarHBondContact O-CD1 3.46Å; R1399-F1468 PolarHBondContact NH1-O 3.34Å; Q1402-F1468 PolarHBondContact O-N 3.11Å; V1404-F1468 HydrophobicContact CG2-CD2 3.95Å; V1404-F1468 HydrophobicContact CG2-CE2 3.9Å
1469	Y	33.7	Very low	34.8	Very low	107 Å²	107	103 Å²	103	42%	0.42	57%	0.566	S	S	.	*			trans	77.2	156	155.6	-59.2	-66.9	0	0	0	121.7	S1034 K1035 R1036 Y1037	S1034-Y1469 PolarHBondContact O-N 2.95Å; K1035-Y1469 CarbonylContact O-C 3.58Å; K1035-Y1469 WeakPolarHBondContact O-CA 3.34Å; K1035-Y1469 PolarHBondContact O-N 3.06Å; R1036-Y1469 VanDerWaalsContact C-C 3.42Å; R1036-Y1469 CarbonylContact C-O 3.04Å; Y1037-Y1469 WeakPolarHBondContact CB-O 3Å; Y1037-Y1469 WeakPolarHBondContact CD2-O 3.46Å; Y1037-Y1469 VanDerWaalsContact CG-C 3.41Å; Y1037-Y1469 VanDerWaalsContact CG-O 3.28Å; Y1037-Y1469 VanDerWaalsContact CZ-CB 3.44Å; Y1037-Y1469 VanDerWaalsContact N-C 3.34Å; Y1037-Y1469 PolarHBondContact N-O 3.47Å
1470	H	34.2	Very low	35.1	Very low	10 Å²	10	102 Å²	102	5%	0.046	56%	0.562	C	S	.	*				-155.4	125.9	-56.2	-132.6	-44.9	0	0	0	120	S1034 K1035 R1036 Y1037 G1040 E1042 Q1043	S1034-H1470 VanDerWaalsContact CB-NE2 3.28Å; S1034-H1470 WeakPolarHBondContact CB-NE2 3.27Å; K1035-H1470 WeakPolarHBondContact O-CA 3.4Å; K1035-H1470 PolarHBondContact O-N 3.02Å; K1035-H1470 VanDerWaalsContact O-N 3.13Å; R1036-H1470 VanDerWaalsContact C-CA 3.49Å; R1036-H1470 CarbonylContact O-C 3.44Å; R1036-H1470 WeakPolarHBondContact O-CA 3.13Å; R1036-H1470 PolarHBondContact O-N 2.75Å; Y1037-H1470 HydrophobicContact CD1-CB 4.43Å; Y1037-H1470 HydrophobicContact CE1-CB 4.49Å; G1040-H1470 PolarHBondContact N-O 2.84Å; E1042-H1470 VanDerWaalsContact CA-CE1 3.48Å; E1042-H1470 WeakPolarHBondContact CA-CE1 3.2Å; E1042-H1470 VanDerWaalsContact CA-NE2 3.31Å; E1042-H1470 WeakPolarHBondContact CA-NE2 3.25Å; E1042-H1470 PolarHBondContact O-CE1 2.81Å; Q1043-H1470 WeakPolarHBondContact CA-NE2 3.11Å
1471	K	38.6	Very low	34.7	Very low	79 Å²	79	98.6 Å²	98.6	34%	0.343	56%	0.559	S	S	.	*			trans	46.7	170.5	161.8	-123	174.9	178.2	167.4	0	124.5	R1036 G1040 S1041 E1042	R1036-K1471 PolarHBondContact O-N 3.16Å; G1040-K1471 VanDerWaalsContact C-CB 3.46Å; G1040-K1471 WeakPolarHBondContact O-CB 3.42Å; S1041-K1471 VanDerWaalsContact N-CB 3.27Å; S1041-K1471 WeakPolarHBondContact O-CD 3.01Å; S1041-K1471 WeakPolarHBondContact O-CE 2.39Å; S1041-K1471 PolarHBondContact O-NZ 3.39Å; E1042-K1471 VanDerWaalsContact O-CD 3.28Å; E1042-K1471 WeakPolarHBondContact O-CD 3.43Å; E1042-K1471 VanDerWaalsContact O-CE 3.26Å; E1042-K1471 WeakPolarHBondContact O-CE 2.51Å; E1042-K1471 PolarHBondContact O-NZ 2.67Å
1472	R	35.9	Very low	34.4	Very low	73 Å²	73	103.9 Å²	103.9	28%	0.275	58%	0.576	S	S	.	*			trans	76.1	123.9	157.4	-76.8	-172	-157.7	108.7	22.7	122.8	G1040 S1041 T1502	G1040-R1472 WeakPolarHBondContact O-CB 3.23Å; G1040-R1472 WeakPolarHBondContact O-CD 3.32Å; G1040-R1472 WeakPolarHBondContact O-CG 3.48Å; G1040-R1472 PolarHBondContact O-NE 3.21Å; G1040-R1472 PolarHBondContact O-NH1 2.92Å; S1041-R1472 VanDerWaalsContact N-CZ 3.34Å; S1041-R1472 VanDerWaalsContact N-NH1 3.14Å; S1041-R1472 PolarHBondContact O-NH2 3.29Å; S1041-R1472 PolarHBondContact OG-NH1 3.07Å; S1041-R1472 PolarHBondContact OG-NH2 2.87Å; R1472-T1502 VanDerWaalsContact CZ-OG1 3.3Å; R1472-T1502 VanDerWaalsContact NH2-CG2 3.34Å; R1472-T1502 PolarHBondContact NH2-OG1 3.48Å
1473	N	32.7	Very low	34.2	Very low	121 Å²	121	103.5 Å²	103.5	65%	0.647	57%	0.573	S	S	*	*				59.2	152.3	118.7	-62.7	36.3	0	0	0	121.3
1474	D	32.8	Very low	34.3	Very low	139 Å²	139	103 Å²	103	74%	0.743	58%	0.582	S	S	*	*			cis	-143.8	173.4	-1.2	-125	-33.7	0	0	0	114.1
1475	M	34.1	Very low	34.4	Very low	172 Å²	172	105.9 Å²	105.9	85%	0.847	58%	0.584	S	S	*	*			trans	-76.8	154.9	166.9	-70.3	176.9	57.2	0	0	112
1476	S	31.2	Very low	34.7	Very low	115 Å²	115	107.5 Å²	107.5	80%	0.804	58%	0.584	S	S	*	*			trans	-167.2	129.7	137.4	52.8	0	0	0	0	112.4
1477	S	38.9	Very low	35	Very low	108 Å²	108	113.5 Å²	113.5	76%	0.755	61%	0.608	S	S	*	*				175.8	102	107.5	63.9	0	0	0	0	112.8
1478	I	32.8	Very low	35.2	Very low	171 Å²	171	114.3 Å²	114.3	88%	0.877	62%	0.623	S	S	*	*			trans	-129.9	129.2	135.8	-65.2	-175.5	0	0	0	105
1479	P	36.9	Very low	35.5	Very low	111 Å²	111	117.2 Å²	117.2	72%	0.721	65%	0.646	S	S	*	*			trans	-109.6	-144.7	-172	38.4	-22.2	0	0	0	111.7
1480	P	45	Very low	35.3	Very low	108 Å²	108	121.8 Å²	121.8	70%	0.701	67%	0.669	S	S	*	*				-128.7	-179	-107.8	40.8	-22.8	0	0	0	114.9
1481	L	32.2	Very low	35.7	Very low	148 Å²	148	126.2 Å²	126.2	78%	0.775	70%	0.698	S	S	*	*				172.7	139	126.8	-93.1	166.8	0	0	0	112.3
1482	M	32.9	Very low	35.5	Very low	168 Å²	168	130.4 Å²	130.4	83%	0.828	72%	0.719	S	S	*	*			trans	55.1	141.7	150.3	-66.8	168.2	72.5	0	0	120.2
1483	S	32.8	Very low	35	Very low	86 Å²	86	134.2 Å²	134.2	60%	0.601	75%	0.745	S	S	*	*			cis	-164	176.2	-6.7	58.4	0	0	0	0	110.1
1484	I	39.1	Very low	34.9	Very low	153 Å²	153	133.3 Å²	133.3	79%	0.785	75%	0.748	S	S	*	*			trans	67.2	101.4	165.7	-59.4	165.8	0	0	0	113.1
1485	K	33.3	Very low	34.6	Very low	151 Å²	151	137.2 Å²	137.2	66%	0.657	75%	0.754	S	S	*	*			cis	61.3	145.3	41	-115.7	-163.3	177.6	-176.4	0	112.4
1486	P	40.7	Very low	34.4	Very low	90 Å²	90	133.4 Å²	133.4	58%	0.584	75%	0.75	S	S	*	*			cis	-144.5	-178.2	-7.8	47.6	-31.5	0	0	0	115.8
1487	H	34.4	Very low	34.3	Very low	173 Å²	173	134 Å²	134	80%	0.801	75%	0.748	S	S	*	*			trans	56.2	165.7	154.8	-51.4	-48.2	0	0	0	117.8
1488	A	36.4	Very low	33.7	Very low	89 Å²	89	135.7 Å²	135.7	74%	0.736	75%	0.749	S	S	*	*			cis	-155.6	165.7	9.8	0	0	0	0	0	109.8
1489	S	37.1	Very low	33.6	Very low	90 Å²	90	132.8 Å²	132.8	63%	0.629	74%	0.744	S	S	*	*			cis	-177.3	136.3	-29.4	56.7	0	0	0	0	112.7
1490	F	29.7	Very low	33.4	Very low	202 Å²	202	133.1 Å²	133.1	89%	0.886	74%	0.739	S	S	*	*			trans	69.4	162.7	149.4	-66.6	-47.3	0	0	0	119.9
1491	P	41.5	Very low	32.9	Very low	103 Å²	103	131.7 Å²	131.7	67%	0.669	73%	0.731	S	S	*	*			cis	-124.6	167.2	14.2	43	-29	0	0	0	118.6
1492	E	34.7	Very low	33.1	Very low	167 Å²	167	127.9 Å²	127.9	78%	0.78	72%	0.715	S	S	*	*			trans	55.5	127.6	146.6	-72.3	155.9	177	0	0	120.4
1493	N	26.7	Very low	33.6	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	72%	0.718	S	S	*	*				56.4	89.5	53.8	-73.7	-13.1	0	0	0	114.7
1494	S	29	Very low	33.6	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	72%	0.719	S	S	*	*				-168.6	146.3	110.4	52.3	0	0	0	0	113.1
1495	Y	28.1	Very low	33.5	Very low	221 Å²	221	130.9 Å²	130.9	87%	0.867	72%	0.722	S	S	*	*			trans	50.3	122.3	166.2	-54.6	-67.6	0	0	0	121.7
1496	A	28.4	Very low	33.7	Very low	91 Å²	91	134.5 Å²	134.5	75%	0.752	73%	0.731	S	S	*	*			trans	71.4	113.2	139.8	0	0	0	0	0	122
1497	V	29.7	Very low	33.4	Very low	127 Å²	127	135.2 Å²	135.2	77%	0.77	74%	0.735	S	S	*	*			trans	80.5	128.4	138.3	-179.6	0	0	0	0	119.8
1498	D	26.5	Very low	33.5	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	73%	0.732	S	S	*	*			trans	72.6	126	159.4	-66.9	-16	0	0	0	125.5
1499	S	30.2	Very low	33.2	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	73%	0.734	S	S	*	*			trans	74.7	110.3	134	-64	0	0	0	0	127.2
1500	L	32.4	Very low	33.1	Very low	118 Å²	118	145.5 Å²	145.5	62%	0.618	75%	0.746	S	S	*	*				88.5	136	122.4	-142.5	76.2	0	0	0	126.1
1501	S	34.6	Very low	33.3	Very low	77 Å²	77	140.2 Å²	140.2	54%	0.538	73%	0.734	S	S	.	*			trans	96.3	110.9	135.3	24.8	0	0	0	0	129.5
1502	T	36.4	Very low	32.9	Very low	69 Å²	69	143.9 Å²	143.9	42%	0.423	74%	0.742	S	S	.	*				74.9	125.9	122.8	-29.6	0	0	0	0	128.1	R1472	R1472-T1502 VanDerWaalsContact CZ-OG1 3.3Å; R1472-T1502 VanDerWaalsContact NH2-CG2 3.34Å; R1472-T1502 PolarHBondContact NH2-OG1 3.48Å
1503	W	43.1	Very low	32.9	Very low	235 Å²	235	141.5 Å²	141.5	89%	0.89	74%	0.739	S	S	*	*				167.7	175.9	109	-150.4	-90	0	0	0	113.9
1504	A	34.5	Very low	33.3	Very low	77 Å²	77	140.2 Å²	140.2	64%	0.636	74%	0.736	S	S	*	*			trans	-158.9	158.2	-171.7	0	0	0	0	0	120.7
1505	N	37	Very low	33.5	Very low	157 Å²	157	140 Å²	140	84%	0.84	74%	0.735	S	S	*	*			trans	81.5	113.9	135.7	-151.7	-11	0	0	0	125.8
1506	R	35.9	Very low	33.8	Very low	227 Å²	227	137.4 Å²	137.4	86%	0.857	73%	0.728	S	S	*	*			trans	179.4	143.3	132.3	-125.4	-168	-177.3	-155.5	3.9	119.1
1507	T	35.3	Very low	34.1	Very low	106 Å²	106	138.4 Å²	138.4	65%	0.65	72%	0.721	S	S	*	*			trans	37	128.2	150.3	29.6	0	0	0	0	126.3
1508	E	36.7	Very low	34.3	Very low	159 Å²	159	139.2 Å²	139.2	74%	0.743	72%	0.721	S	S	*	*				178.5	-171.8	117.5	-100.2	-66.4	132.3	0	0	111.6
1509	R	30.4	Very low	34.6	Very low	206 Å²	206	137.5 Å²	137.5	78%	0.777	72%	0.72	S	S	*	*			trans	-117.4	147.6	-163.4	-45.5	174.2	-177.7	94.4	-13.5	117.2
1510	K	33.4	Very low	34.6	Very low	202 Å²	202	138 Å²	138	88%	0.878	71%	0.714	S	S	*	*				178.9	150.6	125.5	-103.6	174.7	179.8	-178	0	116.9
1511	S	34.9	Very low	34.7	Very low	92 Å²	92	138 Å²	138	64%	0.643	71%	0.709	S	S	*	*			trans	54.5	119.4	151.1	54.8	0	0	0	0	125.1
1512	E	33.2	Very low	34.5	Very low	180 Å²	180	142.3 Å²	142.3	84%	0.841	72%	0.719	S	S	*	*				72.8	151.2	125.1	-66.9	177.2	-179.4	0	0	122.9
1513	T	35.3	Very low	34.1	Very low	116 Å²	116	141.2 Å²	141.2	71%	0.712	71%	0.714	S	S	*	*			cis	-163.4	151.4	-49.2	9.5	0	0	0	0	112.7
1514	V	33.4	Very low	33.5	Very low	126 Å²	126	137.3 Å²	137.3	76%	0.764	71%	0.705	S	S	*	*			trans	60.6	112.6	143	172.7	0	0	0	0	121.1
1515	S	33.7	Very low	33.2	Very low	98 Å²	98	138 Å²	138	69%	0.685	71%	0.705	S	S	*	*				163.3	121.9	106	-110	0	0	0	0	117.5
1516	K	35.3	Very low	33	Very low	168 Å²	168	140 Å²	140	73%	0.73	70%	0.701	S	S	*	*				69.8	110.9	128.3	-67.6	-173.2	151.8	-77.2	0	125.6
1517	D	34	Very low	33	Very low	111 Å²	111	135.5 Å²	135.5	59%	0.594	69%	0.688	S	S	*	*				77.6	111.5	112.8	-51.7	-6.3	0	0	0	123.7
1518	D	33.9	Very low	33	Very low	144 Å²	144	135.5 Å²	135.5	77%	0.77	68%	0.681	S	S	*	*				79.4	107.5	123.7	-65.9	-16	0	0	0	124.9
1519	S	32.5	Very low	33	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	68%	0.678	S	S	*	*				111.9	135	117.4	75.6	0	0	0	0	121.1
1520	D	31.7	Very low	33.2	Very low	119 Å²	119	134.1 Å²	134.1	64%	0.636	68%	0.675	S	S	*	*			trans	62.4	88.3	141.5	-94.7	41	0	0	0	121.9
1521	K	34.6	Very low	33.1	Very low	118 Å²	118	131.2 Å²	131.2	51%	0.513	66%	0.664	S	S	.	*				156.5	104.2	93.8	-78.3	-168.2	-175.5	176.9	0	115.5	S999 L1000	S999-K1521 WeakPolarHBondContact CA-O 3.31Å; S999-K1521 PolarHBondContact OG-O 2.99Å; L1000-K1521 HydrophobicContact CB-CB 3.82Å; L1000-K1521 HydrophobicContact CB-CD 4.01Å; L1000-K1521 HydrophobicContact CB-CG 3.96Å; L1000-K1521 HydrophobicContact CD1-CB 4.16Å; L1000-K1521 HydrophobicContact CD1-CD 3.93Å; L1000-K1521 HydrophobicContact CD1-CG 3.6Å; L1000-K1521 HydrophobicContact CG-CB 3.66Å; L1000-K1521 HydrophobicContact CG-CD 4.22Å; L1000-K1521 HydrophobicContact CG-CG 3.71Å
1522	F	29.2	Very low	32.9	Very low	168 Å²	168	133.3 Å²	133.3	74%	0.737	67%	0.672	S	S	*	*			trans	-46.5	-99.7	-159.5	-36.3	-55.2	0	0	0	119.9	K998 S999 L1000	K998-F1522 CarbonylContact C-O 2.81Å; K998-F1522 VanDerWaalsContact C-O 3.23Å; K998-F1522 CarbonylContact O-C 3.49Å; S999-F1522 VanDerWaalsContact CA-C 3.49Å; S999-F1522 WeakPolarHBondContact CA-O 3.47Å; L1000-F1522 HydrophobicContact CD2-CB 4.31Å; L1000-F1522 HydrophobicContact CD2-CD2 3.55Å; L1000-F1522 HydrophobicContact CD2-CE2 4.14Å; L1000-F1522 HydrophobicContact CD2-CG 4.18Å
1523	S	29	Very low	32.6	Very low	47 Å²	47	129.2 Å²	129.2	33%	0.329	66%	0.656	S	S	.	*			cis	-179.3	119.3	-18.2	-146	0	0	0	0	109.1	K998 S999	K998-S1523 CarbonylContact C-O 3.26Å; K998-S1523 CarbonylContact O-C 2.86Å; K998-S1523 WeakPolarHBondContact O-CA 3.22Å; K998-S1523 PolarHBondContact O-N 3.31Å; K998-S1523 VanDerWaalsContact O-O 3.08Å; S999-S1523 CarbonylContact C-O 2.83Å; S999-S1523 WeakPolarHBondContact CA-O 3.33Å; S999-S1523 VanDerWaalsContact N-N 3.15Å; S999-S1523 PolarHBondContact N-O 2.78Å
1524	Q	29.8	Very low	32.5	Very low	152 Å²	152	126.4 Å²	126.4	71%	0.71	64%	0.635	S	S	*	*			trans	81.3	140.3	-178.4	-56.1	-176.5	-3.1	0	0	119.6	K998	K998-Q1524 CarbonylContact C-O 2.87Å; K998-Q1524 PolarHBondContact O-N 3Å
1525	S	28.1	Very low	32.2	Very low	91 Å²	91	123.4 Å²	123.4	64%	0.636	62%	0.615	S	S	*	*			cis	-174.4	156.1	-15.6	58.2	0	0	0	0	110.7
1526	R	33.7	Very low	32	Very low	200 Å²	200	124 Å²	124	76%	0.755	61%	0.614	S	S	*	*				171	119.5	118.4	-94.3	-173.8	158.2	-146.9	-2.5	108.2
1527	K	34.9	Very low	31.7	Very low	133 Å²	133	121.9 Å²	121.9	58%	0.578	61%	0.605	S	S	*	*				89.7	145.6	113.7	-76.9	179.6	154.9	-132.6	0	111.1
1528	E	34.7	Very low	31.4	Very low	105 Å²	105	123.2 Å²	123.2	49%	0.491	61%	0.608	S	S	.	*			cis	-161.9	166.9	4.9	-123.3	153.9	-179.8	0	0	108.2
1529	F	37.1	Very low	31.3	Very low	155 Å²	155	120.5 Å²	120.5	68%	0.68	59%	0.591	S	S	*	*			cis	-130.4	154.2	3.9	-103.2	-90.3	0	0	0	110
1530	Y	35.2	Very low	31.2	Very low	182 Å²	182	118.6 Å²	118.6	71%	0.714	57%	0.572	S	S	*	*			trans	23.4	143.5	132.9	-69.3	-120.2	0	0	0	120.4
1531	E	31.9	Very low	31.5	Very low	141 Å²	141	117.2 Å²	117.2	66%	0.659	57%	0.568	S	S	*	*			cis	-152.9	157.1	1.6	-141.9	-178.4	135.1	0	0	112.8	N1533	E1531-N1533 PolarHBondContact OE1-ND2 3.18Å
1532	V	30.7	Very low	31.7	Very low	135 Å²	135	114.1 Å²	114.1	82%	0.818	56%	0.56	S	S	*	*			trans	-104.8	107.2	169.1	169.9	0	0	0	0	108.4
1533	N	26.6	Very low	31.8	Very low	94 Å²	94	114 Å²	114	50%	0.503	56%	0.561	S	S	.	*			trans	-176.4	135.2	177.3	-100.2	-16.6	0	0	0	110.2	E1531	E1531-N1533 PolarHBondContact OE1-ND2 3.18Å
1534	Q	31.8	Very low	31.9	Very low	57 Å²	57	115 Å²	115	27%	0.266	58%	0.579	S	S	.	*			cis	-154.6	170.6	-9.5	-54.1	87.7	-21.6	0	0	113.1	G1011 R1012 V1013	G1011-Q1534 VanDerWaalsContact C-CG 3.48Å; G1011-Q1534 VanDerWaalsContact O-CD 3.28Å; G1011-Q1534 VanDerWaalsContact O-CG 3.26Å; G1011-Q1534 WeakPolarHBondContact O-CG 3.46Å; G1011-Q1534 PolarHBondContact O-NE2 3.12Å; R1012-Q1534 VanDerWaalsContact CA-OE1 3.24Å; R1012-Q1534 HydrophobicContact CG-CB 4.16Å; R1012-Q1534 PolarHBondContact O-NE2 3.25Å; V1013-Q1534 VanDerWaalsContact C-OE1 3.23Å; V1013-Q1534 VanDerWaalsContact N-OE1 3.16Å; V1013-Q1534 PolarHBondContact O-OE1 3.04Å
1535	D	27	Very low	31.8	Very low	64 Å²	64	114.6 Å²	114.6	34%	0.342	58%	0.582	S	S	.	*			trans	19.5	135.1	139.2	-72.9	-52.6	0	0	0	121.9	R1010 G1011 R1012 F1537	R1010-D1535 VanDerWaalsContact CB-OD2 3.3Å; R1010-D1535 WeakPolarHBondContact CB-OD2 3.48Å; G1011-D1535 PolarHBondContact N-OD2 3.06Å; R1012-D1535 WeakPolarHBondContact CD-O 3.1Å; R1012-D1535 VanDerWaalsContact CG-O 3.22Å; R1012-D1535 WeakPolarHBondContact CG-O 3.1Å; R1012-D1535 PolarHBondContact NE-O 3.11Å; D1535-F1537 PolarHBondContact O-N 3.42Å
1536	T	30.2	Very low	31.9	Very low	109 Å²	109	113.1 Å²	113.1	67%	0.669	58%	0.581	S	S	*	*			trans	-12.7	122.3	133.5	-52.4	0	0	0	0	115.9	R1012	R1012-T1536 PolarHBondContact NE-O 3.18Å
1537	F	29.6	Very low	31.6	Very low	124 Å²	124	111.9 Å²	111.9	54%	0.544	58%	0.581	S	S	.	*				-142.2	161.2	79.9	-89.4	-110.8	0	0	0	107.5	R1012 D1535	R1012-F1537 PolarHBondContact NH1-O 3.44Å; D1535-F1537 PolarHBondContact O-N 3.42Å
1538	E	27.8	Very low	31.6	Very low	140 Å²	140	107.8 Å²	107.8	65%	0.654	57%	0.567	S	S	*	*				1.6	155.6	110.5	-75.7	148.8	-164.7	0	0	117.1	R1012	R1012-E1538 PolarHBondContact NH1-O 3.5Å
1539	E	31.5	Very low	31.5	Very low	86 Å²	86	112.5 Å²	112.5	40%	0.402	59%	0.586	S	S	.	*			cis	-133	156.7	18.8	-131.6	160.6	145.7	0	0	106.3	L279	L279-E1539 WeakPolarHBondContact CB-OE1 3.19Å; L279-E1539 PolarHBondContact N-OE1 2.85Å; L279-E1539 VanDerWaalsContact N-OE1 3.11Å
1540	D	31.4	Very low	31.4	Very low	71 Å²	71	107.1 Å²	107.1	38%	0.38	57%	0.566	S	S	.	*				-165.2	174.9	63.1	-110.4	-29.5	0	0	0	115.3	A276 Q277 F278 L279	A276-D1540 WeakPolarHBondContact O-CB 3.34Å; Q277-D1540 VanDerWaalsContact C-OD2 3.28Å; Q277-D1540 WeakPolarHBondContact CA-OD2 3.17Å; Q277-D1540 HydrophobicContact CB-CB 4.45Å; Q277-D1540 PolarHBondContact N-OD2 3.27Å; F278-D1540 WeakPolarHBondContact CA-OD1 3.11Å; F278-D1540 PolarHBondContact N-OD1 2.86Å; F278-D1540 PolarHBondContact N-OD2 3.38Å; F278-D1540 VanDerWaalsContact O-OD1 3.06Å; L279-D1540 PolarHBondContact N-OD1 3.44Å
1541	T	35.9	Very low	31.4	Very low	90 Å²	90	101.8 Å²	101.8	55%	0.552	55%	0.552	S	S	*	*			trans	-96.8	-136	-166.6	-42.3	0	0	0	0	111.7	Q277 F278	Q277-T1541 CarbonylContact O-C 3.48Å; Q277-T1541 VanDerWaalsContact O-C 3.29Å; Q277-T1541 WeakPolarHBondContact O-CA 3.27Å; Q277-T1541 PolarHBondContact O-N 2.82Å; F278-T1541 PolarHBondContact O-OG1 2.93Å
1542	P	39.4	Very low	31.2	Very low	52 Å²	52	98.1 Å²	98.1	34%	0.338	54%	0.542	S	S	.	.			cis	-129.7	164.9	34.7	40.4	-23	0	0	0	116.9	F278	F278-P1542 HydrophobicContact CD2-CB 4.17Å
1543	H	32.2	Very low	31.5	Very low	165 Å²	165	97.4 Å²	97.4	76%	0.764	53%	0.528	S	S	*	.			trans	61.1	122.8	170.9	-56.7	-58.7	0	0	0	117.4
1544	G	30.1	Very low	32.1	Very low	68 Å²	68	95.2 Å²	95.2	70%	0.701	52%	0.523	S	S	*	.			cis	163.6	164.8	1.6	0	0	0	0	0	108.2
1545	D	28	Very low	32.6	Very low	145 Å²	145	94.7 Å²	94.7	78%	0.775	53%	0.525	S	S	*	.			cis	-156.8	160.5	-3.5	-96.5	-56.3	0	0	0	107.6
1546	G	29.8	Very low	33.5	Very low	60 Å²	60	96.4 Å²	96.4	62%	0.619	53%	0.53	S	S	*	.			trans	149.7	83.2	161.6	0	0	0	0	0	120.7	K1553	G1546-K1553 PolarHBondContact O-NZ 3.41Å
1547	F	27.6	Very low	34	Very low	174 Å²	174	95.5 Å²	95.5	76%	0.763	52%	0.515	S	S	*	.			trans	-45.3	145.3	160.6	-76.3	-102.7	0	0	0	112.2
1548	T	35.6	Very low	34.9	Very low	46 Å²	46	97.1 Å²	97.1	28%	0.282	52%	0.522	S	S	.	.				-166.8	165.3	64.1	24.3	0	0	0	0	113.8	K1553 Y1557	T1548-K1553 WeakPolarHBondContact O-CE 2.93Å; T1548-Y1557 HydrophobicContact CG2-CE2 4.02Å; T1548-Y1557 VanDerWaalsContact CG2-OH 3.26Å; T1548-Y1557 WeakPolarHBondContact CG2-OH 3.31Å; T1548-Y1557 WeakPolarHBondContact OG1-CE2 3.24Å
1549	K	32.3	Very low	35.7	Very low	205 Å²	205	93.9 Å²	93.9	89%	0.891	52%	0.519	S	S	*	.			trans	-62.7	120.1	155.6	-62.8	174.7	179.8	175.4	0	110.9
1550	V	35	Very low	36.5	Very low	41 Å²	41	97.3 Å²	97.3	25%	0.248	53%	0.528	C	S	.	.			trans	-162.2	151.7	161.9	-114.5	0	0	0	0	113.7	S1552 K1553 K1556 Y1557	V1550-S1552 PolarHBondContact O-N 2.8Å; V1550-K1553 HydrophobicContact CG2-CB 4.22Å; V1550-K1553 HydrophobicContact CG2-CG 3.66Å; V1550-K1556 HydrophobicContact CB-CB 4.43Å; V1550-K1556 HydrophobicContact CG1-CB 3.6Å; V1550-K1556 HydrophobicContact CG1-CD 3.94Å; V1550-K1556 HydrophobicContact CG1-CG 3.63Å; V1550-Y1557 HydrophobicContact CB-CD2 4.35Å; V1550-Y1557 HydrophobicContact CG1-CD2 3.88Å; V1550-Y1557 HydrophobicContact CG1-CE2 4.35Å; V1550-Y1557 HydrophobicContact CG2-CD2 3.58Å; V1550-Y1557 HydrophobicContact CG2-CE2 3.93Å
1551	V	34.4	Very low	37.3	Very low	70 Å²	70	101 Å²	101	42%	0.424	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	111.1	155.6	167.5	0	0	0	0	108.4	K1556	V1551-K1556 HydrophobicContact CB-CB 3.79Å; V1551-K1556 HydrophobicContact CB-CD 4.26Å; V1551-K1556 HydrophobicContact CG1-CB 4.44Å; V1551-K1556 HydrophobicContact CG2-CD 4.08Å; V1551-K1556 PolarHBondContact O-N 2.83Å
1552	S	28.9	Very low	37.8	Very low	64 Å²	64	107 Å²	107	45%	0.448	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	15.2	95.8	-169.6	-62.7	0	0	0	0	113.7	Y1112 V1550 A1554 S1555	Y1112-S1552 VanDerWaalsContact CD2-OG 3.27Å; Y1112-S1552 WeakPolarHBondContact CD2-OG 3.25Å; Y1112-S1552 WeakPolarHBondContact CE2-OG 3.24Å; V1550-S1552 PolarHBondContact O-N 2.8Å; S1552-A1554 PolarHBondContact O-N 3.04Å; S1552-S1555 PolarHBondContact O-N 2.9Å
1553	K	37.3	Very low	38.3	Very low	121 Å²	121	110.1 Å²	110.1	53%	0.526	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-29.8	-17.5	-160.8	-86.7	168.8	97.2	164.7	0	120.1	G1546 T1548 V1550	G1546-K1553 PolarHBondContact O-NZ 3.41Å; T1548-K1553 WeakPolarHBondContact O-CE 2.93Å; V1550-K1553 HydrophobicContact CG2-CB 4.22Å; V1550-K1553 HydrophobicContact CG2-CG 3.66Å
1554	A	38	Very low	38.7	Very low	47 Å²	47	109 Å²	109	39%	0.388	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-30.2	170.1	0	0	0	0	0	115.7	M1303 S1552 F1558	M1303-A1554 HydrophobicContact CE-CB 3.75Å; M1303-A1554 HydrophobicContact SD-CB 4.04Å; S1552-A1554 PolarHBondContact O-N 3.04Å; A1554-F1558 PolarHBondContact O-N 3.25Å
1555	S	41.9	Very low	38.9	Very low	46 Å²	46	112.9 Å²	112.9	32%	0.322	56%	0.556	S	S	.	*	H	α-helix	trans	-83.8	-60.3	-167.5	178.6	0	0	0	0	114.1	S1552 Y1557 F1558 A1559	S1552-S1555 PolarHBondContact O-N 2.9Å; S1555-Y1557 PolarHBondContact O-N 2.8Å; S1555-Y1557 VanDerWaalsContact O-N 3.15Å; S1555-F1558 PolarHBondContact O-N 2.86Å; S1555-F1558 VanDerWaalsContact O-N 3.08Å; S1555-A1559 PolarHBondContact O-N 2.66Å; S1555-A1559 VanDerWaalsContact O-N 3.09Å
1556	K	46	Very low	39.2	Very low	100 Å²	100	112.9 Å²	112.9	44%	0.435	55%	0.551	S	S	.	*	H	α-helix	trans	-71.1	-6.4	176.8	178.3	175	-81	-174.6	0	112.7	V1550 V1551 R1560	V1550-K1556 HydrophobicContact CB-CB 4.43Å; V1550-K1556 HydrophobicContact CG1-CB 3.6Å; V1550-K1556 HydrophobicContact CG1-CD 3.94Å; V1550-K1556 HydrophobicContact CG1-CG 3.63Å; V1551-K1556 HydrophobicContact CB-CB 3.79Å; V1551-K1556 HydrophobicContact CB-CD 4.26Å; V1551-K1556 HydrophobicContact CG1-CB 4.44Å; V1551-K1556 HydrophobicContact CG2-CD 4.08Å; V1551-K1556 PolarHBondContact O-N 2.83Å; K1556-R1560 VanDerWaalsContact O-CB 3.22Å; K1556-R1560 WeakPolarHBondContact O-CB 3.34Å
1557	Y	40.6	Very low	39.6	Very low	91 Å²	91	113.4 Å²	113.4	36%	0.357	54%	0.542	S	S	.	.	H	α-helix	trans	-84.7	-37.8	165.4	-112.1	-106.3	0	0	0	113.2	T1548 V1550 S1555 R1560 R1561	T1548-Y1557 HydrophobicContact CG2-CE2 4.02Å; T1548-Y1557 VanDerWaalsContact CG2-OH 3.26Å; T1548-Y1557 WeakPolarHBondContact CG2-OH 3.31Å; T1548-Y1557 WeakPolarHBondContact OG1-CE2 3.24Å; V1550-Y1557 HydrophobicContact CB-CD2 4.35Å; V1550-Y1557 HydrophobicContact CG1-CD2 3.88Å; V1550-Y1557 HydrophobicContact CG1-CE2 4.35Å; V1550-Y1557 HydrophobicContact CG2-CD2 3.58Å; V1550-Y1557 HydrophobicContact CG2-CE2 3.93Å; S1555-Y1557 PolarHBondContact O-N 2.8Å; S1555-Y1557 VanDerWaalsContact O-N 3.15Å; Y1557-R1560 PolarHBondContact O-N 2.98Å; Y1557-R1561 VanDerWaalsContact O-CB 3.26Å; Y1557-R1561 WeakPolarHBondContact O-CB 3.37Å; Y1557-R1561 PolarHBondContact O-N 2.99Å
1558	F	48.2	Very low	39.8	Very low	157 Å²	157	109.6 Å²	109.6	69%	0.689	54%	0.537	S	S	*	.	H	α-helix	trans	-68.1	-41.8	172.9	-105.3	-89.8	0	0	0	112.2	A1554 S1555 R1560 R1562	A1554-F1558 PolarHBondContact O-N 3.25Å; S1555-F1558 PolarHBondContact O-N 2.86Å; S1555-F1558 VanDerWaalsContact O-N 3.08Å; F1558-R1560 PolarHBondContact O-N 3.36Å; F1558-R1562 VanDerWaalsContact O-CB 3.31Å; F1558-R1562 WeakPolarHBondContact O-CB 3.28Å; F1558-R1562 PolarHBondContact O-N 2.94Å
1559	A	44.8	Very low	39.5	Very low	72 Å²	72	114.5 Å²	114.5	60%	0.595	57%	0.567	S	S	*	*	H	α-helix	trans	-69.5	-12.6	175.4	0	0	0	0	0	114.3	S1555	S1555-A1559 PolarHBondContact O-N 2.66Å; S1555-A1559 VanDerWaalsContact O-N 3.09Å
1560	R	48.7	Very low	39.3	Very low	158 Å²	158	110 Å²	110	60%	0.596	56%	0.561	S	S	*	*	H	α-helix	trans	-108.1	-29.2	177	-168	167.3	-74.6	-151.6	-7	113.6	K1556 Y1557 F1558 M1563 Q1564	K1556-R1560 VanDerWaalsContact O-CB 3.22Å; K1556-R1560 WeakPolarHBondContact O-CB 3.34Å; Y1557-R1560 PolarHBondContact O-N 2.98Å; F1558-R1560 PolarHBondContact O-N 3.36Å; R1560-M1563 PolarHBondContact O-N 3.26Å; R1560-Q1564 PolarHBondContact O-N 3.31Å
1561	R	49.2	Very low	39	Very low	149 Å²	149	110.9 Å²	110.9	56%	0.562	58%	0.579	S	S	*	*	H	α-helix	trans	-77	-28.3	171.2	-166.3	177.4	-74.5	179.2	-5.2	112.2	Y1557 M1563 Q1564 Q1565	Y1557-R1561 VanDerWaalsContact O-CB 3.26Å; Y1557-R1561 WeakPolarHBondContact O-CB 3.37Å; Y1557-R1561 PolarHBondContact O-N 2.99Å; R1561-M1563 PolarHBondContact O-N 3.37Å; R1561-Q1564 CarbonylContact O-C 3.34Å; R1561-Q1564 PolarHBondContact O-N 3.42Å; R1561-Q1565 HydrophobicContact CG-CB 4.32Å; R1561-Q1565 WeakPolarHBondContact O-CB 3.14Å; R1561-Q1565 PolarHBondContact O-N 3.4Å; R1561-Q1565 VanDerWaalsContact O-N 3.08Å
1562	R	46	Very low	39	Very low	216 Å²	216	114.3 Å²	114.3	82%	0.815	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	2.9	171.2	-145.4	175.7	-163.6	158.3	6.3	114.6	F1558	F1558-R1562 VanDerWaalsContact O-CB 3.31Å; F1558-R1562 WeakPolarHBondContact O-CB 3.28Å; F1558-R1562 PolarHBondContact O-N 2.94Å
1563	M	49.3	Very low	38.8	Very low	118 Å²	118	117.6 Å²	117.6	58%	0.581	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	16.9	165.1	-66.5	-143.3	-62.8	0	0	112.6	L75 R1560 R1561	L75-M1563 HydrophobicContact CD2-SD 4.37Å; R1560-M1563 PolarHBondContact O-N 3.26Å; R1561-M1563 PolarHBondContact O-N 3.37Å
1564	Q	40.9	Very low	38.6	Very low	142 Å²	142	117 Å²	117	66%	0.664	62%	0.618	S	S	*	*	S	Bend	trans	-144.7	30.2	171.3	-67.2	-165.4	-49.3	0	0	111.6	R1560 R1561	R1560-Q1564 PolarHBondContact O-N 3.31Å; R1561-Q1564 CarbonylContact O-C 3.34Å; R1561-Q1564 PolarHBondContact O-N 3.42Å
1565	Q	34.8	Very low	38	Very low	148 Å²	148	119.1 Å²	119.1	69%	0.692	63%	0.626	S	S	*	*	S	Bend	trans	-150.2	18.4	169.4	-129.6	165.4	9.1	0	0	114.5	R1561	R1561-Q1565 HydrophobicContact CG-CB 4.32Å; R1561-Q1565 WeakPolarHBondContact O-CB 3.14Å; R1561-Q1565 PolarHBondContact O-N 3.4Å; R1561-Q1565 VanDerWaalsContact O-N 3.08Å
1566	E	33.7	Very low	37.4	Very low	145 Å²	145	121.8 Å²	121.8	68%	0.678	63%	0.629	S	S	*	*	S	Bend	trans	-113.2	126.4	133.3	-71.5	176.7	-177	0	0	104.2	P77	P77-E1566 HydrophobicContact CG-CB 4.24Å; P77-E1566 WeakPolarHBondContact CG-O 3.33Å
1567	V	38.1	Very low	36.6	Very low	72 Å²	72	122.4 Å²	122.4	44%	0.436	63%	0.628	S	S	.	*	S	Bend	trans	62.2	111.2	-171	179.6	0	0	0	0	113.6	P77	P77-V1567 HydrophobicContact CB-CB 3.68Å; P77-V1567 HydrophobicContact CB-CG1 4.11Å; P77-V1567 HydrophobicContact CB-CG2 3.68Å; P77-V1567 HydrophobicContact CG-CB 3.85Å; P77-V1567 HydrophobicContact CG-CG2 3.8Å
1568	S	31.8	Very low	36.3	Very low	94 Å²	94	120.1 Å²	120.1	66%	0.657	63%	0.626	S	S	*	*			cis	-143.2	121	5.6	-45.7	0	0	0	0	113
1569	V	29.4	Very low	35.2	Very low	149 Å²	149	118.8 Å²	118.8	90%	0.903	63%	0.626	S	S	*	*	S	Bend	trans	-154.8	136.5	132.4	-171.5	0	0	0	0	105.5
1570	S	28.2	Very low	34.6	Very low	109 Å²	109	119 Å²	119	76%	0.762	64%	0.636	S	S	*	*	S	Bend	cis	-77.1	175.2	-13.7	-51.5	0	0	0	0	110.7
1571	G	29.6	Very low	33.7	Very low	61 Å²	61	121.1 Å²	121.1	63%	0.629	65%	0.649	S	S	*	*			cis	-167.3	171.6	0.2	0	0	0	0	0	107.2
1572	D	33.1	Very low	32.8	Very low	142 Å²	142	118.1 Å²	118.1	76%	0.759	65%	0.651	S	S	*	*			cis	-139.5	133.9	21.9	-79.1	-41.1	0	0	0	114	S1574	D1572-S1574 PolarHBondContact O-N 3.48Å; D1572-S1574 VanDerWaalsContact O-N 3.13Å
1573	L	26.3	Very low	32	Very low	132 Å²	132	113.8 Å²	113.8	69%	0.691	64%	0.635	S	S	*	*				28.9	71.3	101.4	-161.7	77.7	0	0	0	116.9	T1575	L1573-T1575 HydrophobicContact CD1-CG2 3.87Å; L1573-T1575 HydrophobicContact CG-CG2 4.47Å
1574	S	32.9	Very low	31	Very low	109 Å²	109	113.7 Å²	113.7	76%	0.762	64%	0.637	S	S	*	*			trans	-150.2	93.6	148.4	-86.7	0	0	0	0	109.4	D1572	D1572-S1574 PolarHBondContact O-N 3.48Å; D1572-S1574 VanDerWaalsContact O-N 3.13Å
1575	T	24.5	Very low	30.5	Very low	91 Å²	91	114.7 Å²	114.7	56%	0.558	65%	0.645	S	S	*	*			cis	60.9	54.2	11.5	-30.6	0	0	0	0	114.9	L1573	L1573-T1575 HydrophobicContact CD1-CG2 3.87Å; L1573-T1575 HydrophobicContact CG-CG2 4.47Å
1576	R	30.5	Very low	30.3	Very low	103 Å²	103	110.2 Å²	110.2	39%	0.389	64%	0.639	S	S	.	*			trans	-148.1	135.8	149.9	-94.4	-128.6	179.5	-141.1	5.1	110.5	A292 M293 P294 M295	A292-R1576 CarbonylContact C-O 3.18Å; A292-R1576 WeakPolarHBondContact CA-O 3.07Å; A292-R1576 PolarHBondContact N-O 2.61Å; M293-R1576 PolarHBondContact N-O 2.92Å; M293-R1576 CarbonylContact O-C 3.12Å; M293-R1576 VanDerWaalsContact O-CB 3.3Å; M293-R1576 WeakPolarHBondContact O-CB 3.28Å; P294-R1576 VanDerWaalsContact O-CD 3.29Å; P294-R1576 WeakPolarHBondContact O-CD 3.37Å; P294-R1576 PolarHBondContact O-NH1 2.76Å; M295-R1576 PolarHBondContact O-NH1 2.76Å; M295-R1576 PolarHBondContact O-NH2 3.03Å; M295-R1576 VanDerWaalsContact O-NH2 3.1Å
1577	R	28.8	Very low	30.2	Very low	112 Å²	112	110.9 Å²	110.9	42%	0.423	65%	0.647	S	S	.	*			cis	156.9	-162.2	-4.6	-114.3	-171	-145.7	-162.8	4.2	106.4	H291 A292 M293 N1579	H291-R1577 VanDerWaalsContact CB-O 3.26Å; H291-R1577 WeakPolarHBondContact CB-O 3.45Å; H291-R1577 PolarHBondContact O-N 2.7Å; A292-R1577 CarbonylContact C-O 3.51Å; M293-R1577 CarbonylContact C-O 3.29Å; M293-R1577 PolarHBondContact N-O 3.37Å; M293-R1577 CarbonylContact O-C 3.41Å; M293-R1577 VanDerWaalsContact O-C 3.3Å; M293-R1577 WeakPolarHBondContact O-CA 3.19Å; M293-R1577 WeakPolarHBondContact O-CB 3.46Å; M293-R1577 PolarHBondContact O-N 3.27Å; R1577-N1579 WeakPolarHBondContact CG-OD1 3.3Å
1578	S	33.3	Very low	30.1	Very low	43 Å²	43	112.6 Å²	112.6	30%	0.301	66%	0.658	S	S	.	*			trans	71.9	81.4	-171.2	54.8	0	0	0	0	110.3	H291 P294	H291-S1578 WeakPolarHBondContact CB-O 3.26Å; H291-S1578 PolarHBondContact CD2-O 2.8Å; H291-S1578 VanDerWaalsContact CG-O 3.28Å; P294-S1578 WeakPolarHBondContact CD-OG 3.36Å
1579	N	26.5	Very low	30.3	Very low	130 Å²	130	111.9 Å²	111.9	70%	0.695	65%	0.649	S	S	*	*			cis	56.4	111.4	46.6	-45.6	38.9	0	0	0	110.9	R1577	R1577-N1579 WeakPolarHBondContact CG-OD1 3.3Å
1580	G	31.5	Very low	30.6	Very low	77 Å²	77	110.5 Å²	110.5	79%	0.794	63%	0.633	S	S	*	*			trans	-176.9	44.2	-176.5	0	0	0	0	0	113.4
1581	F	30.5	Very low	30.7	Very low	201 Å²	201	108.7 Å²	108.7	88%	0.882	62%	0.617	S	S	*	*			trans	27.1	108.5	166.3	-84.2	-95.1	0	0	0	120.8
1582	S	30.3	Very low	30.8	Very low	87 Å²	87	112.6 Å²	112.6	61%	0.608	61%	0.614	S	S	*	*			trans	49.6	96.2	132.5	-160	0	0	0	0	121.5
1583	R	29	Very low	30.5	Very low	125 Å²	125	108.4 Å²	108.4	47%	0.472	60%	0.596	S	S	.	*			trans	80.6	161	134.5	-59.8	173.3	-155.9	-146.2	-8.5	119.2	T99 D102	T99-R1583 PolarHBondContact O-NH2 2.83Å; D102-R1583 WeakPolarHBondContact OD2-CD 3.14Å; D102-R1583 IonicContact OD2-CZ 2.7Å; D102-R1583 IonicContact OD2-NE 2.62Å; D102-R1583 IonicContact OD2-NH1 2.67Å; D102-R1583 PolarHBondContact OD2-NH1 3.24Å
1584	N	27.1	Very low	30.8	Very low	116 Å²	116	107.9 Å²	107.9	62%	0.62	59%	0.588	S	S	*	*			trans	65.4	119.8	-174.1	-97.4	-17.8	0	0	0	118.8
1585	I	31.1	Very low	30.5	Very low	162 Å²	162	107.8 Å²	107.8	83%	0.831	58%	0.575	S	S	*	*			trans	64.8	143.9	141.2	-60	163.2	0	0	0	118
1586	G	30.1	Very low	30.7	Very low	55 Å²	55	104.9 Å²	104.9	57%	0.567	56%	0.564	S	S	*	*			trans	112.7	50.2	148.2	0	0	0	0	0	118.9
1587	N	32.9	Very low	30.6	Very low	158 Å²	158	104.5 Å²	104.5	85%	0.845	58%	0.577	S	S	*	*			trans	69.6	151.7	146.4	-59.7	-12.9	0	0	0	117.5
1588	V	34.7	Very low	30.6	Very low	109 Å²	109	103.7 Å²	103.7	66%	0.661	58%	0.584	S	S	*	*			cis	-148.5	123.5	-9.5	111.5	0	0	0	0	108.6
1589	T	37.1	Very low	30.4	Very low	78 Å²	78	105.5 Å²	105.5	48%	0.479	59%	0.59	S	S	.	*				61.5	138.3	127.2	-56.1	0	0	0	0	121.9
1590	Q	34.1	Very low	30.5	Very low	120 Å²	120	103.3 Å²	103.3	56%	0.561	58%	0.582	S	S	*	*			cis	-136.2	-179	-26.6	-107	-179	-13.8	0	0	107.3	K874	K874-Q1590 WeakPolarHBondContact CB-O 3.37Å; K874-Q1590 WeakPolarHBondContact CD-O 3.02Å
1591	V	30.8	Very low	30.4	Very low	72 Å²	72	105.2 Å²	105.2	44%	0.436	58%	0.578	S	S	.	*				56.8	143.3	51.8	141.4	0	0	0	0	112.3	S875	S875-V1591 CarbonylContact C-O 3.24Å; S875-V1591 VanDerWaalsContact C-O 3.31Å; S875-V1591 WeakPolarHBondContact CA-O 3.36Å; S875-V1591 WeakPolarHBondContact CB-O 3.3Å; S875-V1591 CarbonylContact O-C 3.36Å
1592	Y	32	Very low	30.4	Very low	142 Å²	142	99.1 Å²	99.1	56%	0.557	56%	0.557	S	S	*	*			cis	-128	-142	-25.6	-113.2	144.2	0	0	0	112.1	S875 W876	S875-Y1592 CarbonylContact C-O 3.03Å; S875-Y1592 VanDerWaalsContact C-O 3.26Å; S875-Y1592 WeakPolarHBondContact CA-O 3.31Å; S875-Y1592 WeakPolarHBondContact CB-O 3.26Å; S875-Y1592 PolarHBondContact O-N 3.42Å; S875-Y1592 PolarHBondContact OG-O 3.07Å; W876-Y1592 VanDerWaalsContact N-C 3.33Å; W876-Y1592 PolarHBondContact N-O 2.75Å
1593	S	27.4	Very low	30.4	Very low	55 Å²	55	100.8 Å²	100.8	39%	0.385	56%	0.559	S	S	.	*			cis	75.2	103	-3.3	-51.1	0	0	0	0	124.1
1594	K	32.2	Very low	30.6	Very low	121 Å²	121	97 Å²	97	53%	0.526	55%	0.552	S	S	.	*			trans	142.6	100.2	132	-177	-169.6	178.6	-171.1	0	114.4	W876 R877	W876-K1594 HydrophobicContact CD2-CB 4.45Å; W876-K1594 VanDerWaalsContact CE2-O 3.3Å; W876-K1594 HydrophobicContact CE3-CB 4.42Å; W876-K1594 HydrophobicContact CH2-CB 4.3Å; W876-K1594 HydrophobicContact CH2-CD 4.23Å; W876-K1594 HydrophobicContact CZ2-CB 4.33Å; W876-K1594 HydrophobicContact CZ3-CB 4.35Å; W876-K1594 PolarHBondContact NE1-O 3.08Å; R877-K1594 CarbonylContact O-C 3.4Å; R877-K1594 VanDerWaalsContact O-CA 3.31Å; R877-K1594 WeakPolarHBondContact O-CA 3.36Å; R877-K1594 PolarHBondContact O-N 3.3Å
1595	E	27.2	Very low	31	Very low	106 Å²	106	98.8 Å²	98.8	50%	0.495	56%	0.556	S	S	.	*				55.6	109.3	102.9	-62.9	-171.6	113.9	0	0	116.3	R877 S878 K879	R877-E1595 PolarHBondContact O-N 3.25Å; S878-E1595 CarbonylContact O-C 3.3Å; S878-E1595 WeakPolarHBondContact O-CA 3.02Å; S878-E1595 PolarHBondContact O-N 2.82Å; S878-E1595 WeakPolarHBondContact OG-CG 3.29Å; S878-E1595 PolarHBondContact OG-N 2.77Å; K879-E1595 HydrophobicContact CD-CB 4.26Å; K879-E1595 HydrophobicContact CD-CG 4.08Å; K879-E1595 WeakPolarHBondContact CE-OE1 3.22Å; K879-E1595 IonicContact NZ-OE1 2.71Å; K879-E1595 PolarHBondContact NZ-OE1 3.04Å
1596	G	28.8	Very low	31.3	Very low	30 Å²	30	96.9 Å²	96.9	31%	0.309	55%	0.548	S	S	.	.			trans	-178.3	144.8	147.4	0	0	0	0	0	118.6	S878 K879 P880	S878-G1596 PolarHBondContact O-N 3.47Å; K879-G1596 CarbonylContact C-O 3.48Å; P880-G1596 VanDerWaalsContact CD-O 3.28Å; P880-G1596 WeakPolarHBondContact CD-O 3.09Å; P880-G1596 WeakPolarHBondContact CG-O 3.43Å
1597	S	27.8	Very low	31.4	Very low	96 Å²	96	104 Å²	104	67%	0.671	56%	0.559	S	S	*	*				-17.4	146.4	122.8	-61.9	0	0	0	0	115
1598	T	27.9	Very low	31.3	Very low	94 Å²	94	101.5 Å²	101.5	58%	0.577	55%	0.549	S	S	*	.			cis	-172	160.2	14.1	7.9	0	0	0	0	111.1
1599	L	28.7	Very low	31	Very low	82 Å²	82	104.6 Å²	104.6	43%	0.429	56%	0.556	S	S	.	*			trans	65	142.3	142	-75.3	162.8	0	0	0	120	I251 F252 S253	I251-L1599 CarbonylContact O-C 3.23Å; I251-L1599 WeakPolarHBondContact O-CA 3.34Å; I251-L1599 PolarHBondContact O-N 3.41Å; I251-L1599 VanDerWaalsContact O-N 3.1Å; F252-L1599 HydrophobicContact CB-CD2 4.03Å; S253-L1599 WeakPolarHBondContact OG-CD2 3.06Å
1600	T	29	Very low	30.8	Very low	84 Å²	84	106.5 Å²	106.5	52%	0.515	57%	0.568	S	S	.	*			trans	78.8	114.1	138.5	48.7	0	0	0	0	120.1	I251	I251-T1600 PolarHBondContact O-N 3.32Å
1601	T	29.7	Very low	30.6	Very low	117 Å²	117	106.8 Å²	106.8	72%	0.718	57%	0.573	S	S	*	*				85.4	158.8	121.6	66.3	0	0	0	0	119.1
1602	T	30.1	Very low	31	Very low	72 Å²	72	109.3 Å²	109.3	44%	0.442	58%	0.584	S	S	.	*			cis	-164.1	149.7	8.9	-4.4	0	0	0	0	113.4	S1623 L1624	T1602-S1623 CarbonylContact O-C 3.52Å; T1602-S1623 WeakPolarHBondContact O-CB 3.46Å; T1602-L1624 CarbonylContact C-O 3.34Å; T1602-L1624 VanDerWaalsContact C-O 3.28Å; T1602-L1624 WeakPolarHBondContact O-CA 3.26Å; T1602-L1624 PolarHBondContact O-N 3.33Å
1603	L	31.3	Very low	31.1	Very low	122 Å²	122	110 Å²	110	64%	0.639	59%	0.592	S	S	*	*			trans	92.2	-171.1	132.1	-157	123.3	0	0	0	120	S1623 L1624 S1625	L1603-S1623 CarbonylContact C-O 3.06Å; L1603-S1623 WeakPolarHBondContact CA-O 3.25Å; L1603-S1623 WeakPolarHBondContact CB-O 3.2Å; L1603-S1623 VanDerWaalsContact O-O 3.1Å; L1603-L1624 CarbonylContact O-C 3.18Å; L1603-L1624 WeakPolarHBondContact O-CA 3.46Å; L1603-L1624 PolarHBondContact O-N 3.09Å; L1603-S1625 PolarHBondContact O-N 2.99Å
1604	S	33.7	Very low	31.3	Very low	46 Å²	46	116.2 Å²	116.2	32%	0.322	61%	0.612	S	S	.	*			trans	50	139	173.7	89.8	0	0	0	0	119.5	S1623	S1604-S1623 WeakPolarHBondContact CA-O 3.22Å; S1604-S1623 WeakPolarHBondContact CB-O 3.33Å; S1604-S1623 PolarHBondContact N-O 2.84Å; S1604-S1623 PolarHBondContact OG-O 3.4Å
1605	Q	35.4	Very low	31.2	Very low	153 Å²	153	114.9 Å²	114.9	72%	0.715	62%	0.618	S	S	*	*	S	Bend	cis	-137.5	150.6	22.5	-76.7	-174.5	50	0	0	110.6
1606	N	35.8	Very low	31.5	Very low	123 Å²	123	115.8 Å²	115.8	66%	0.658	62%	0.622	S	S	*	*			cis	-156.1	175.4	1.3	-104.8	-23.4	0	0	0	111.5
1607	Y	33.4	Very low	31.5	Very low	205 Å²	205	116.5 Å²	116.5	80%	0.804	62%	0.622	S	S	*	*			trans	-55.3	150.8	162.3	-85.2	-123.7	0	0	0	111.5
1608	V	31	Very low	31.6	Very low	105 Å²	105	116 Å²	116	64%	0.636	62%	0.619	S	S	*	*			cis	84.1	131.7	30.6	-179.8	0	0	0	0	114.7
1609	H	28.7	Very low	31.8	Very low	173 Å²	173	115.2 Å²	115.2	80%	0.801	63%	0.629	S	S	*	*			trans	74.2	128.6	172.1	-65.7	-27.5	0	0	0	121
1610	T	32.4	Very low	32	Very low	118 Å²	118	119 Å²	119	72%	0.724	65%	0.649	S	S	*	*			trans	-153.4	148.8	137	49.1	0	0	0	0	107.7
1611	N	30.4	Very low	32.1	Very low	126 Å²	126	121.8 Å²	121.8	67%	0.674	66%	0.66	S	S	*	*			cis	-143.1	-173.1	-35.6	-79.1	-38.9	0	0	0	104.8
1612	D	38.2	Very low	32.4	Very low	125 Å²	125	126.7 Å²	126.7	67%	0.668	67%	0.665	S	S	*	*			cis	-162.3	164.1	37.6	-81	-57.6	0	0	0	108.3
1613	H	34.4	Very low	32.6	Very low	156 Å²	156	126 Å²	126	72%	0.722	66%	0.664	S	S	*	*			cis	-157.4	155.6	3.8	-123.7	14.4	0	0	0	109.4
1614	K	31.3	Very low	32.9	Very low	187 Å²	187	125.8 Å²	125.8	81%	0.813	66%	0.662	S	S	*	*			trans	61.1	127.8	160.6	-74	-179	173.8	175.6	0	121.9
1615	S	31	Very low	33.2	Very low	92 Å²	92	128.4 Å²	128.4	64%	0.643	68%	0.681	S	S	*	*	S	Bend	trans	71.7	54.4	149.4	43.1	0	0	0	0	120.8
1616	Q	31.7	Very low	33.3	Very low	126 Å²	126	123 Å²	123	59%	0.589	67%	0.666	S	S	*	*			trans	-159.3	138.6	153.4	-153.5	54.5	-153.3	0	0	113.4	D182 P184	D182-Q1616 CarbonylContact O-C 3.28Å; D182-Q1616 WeakPolarHBondContact O-CA 3.46Å; D182-Q1616 PolarHBondContact O-N 2.76Å; P184-Q1616 PolarHBondContact O-NE2 2.83Å
1617	S	29.8	Very low	33.3	Very low	44 Å²	44	122.4 Å²	122.4	31%	0.308	66%	0.658	S	S	.	*			trans	-155.5	-145.6	-175.5	83.1	0	0	0	0	116.8	D182 K183	D182-S1617 WeakPolarHBondContact CA-OG 3.01Å; D182-S1617 PolarHBondContact N-OG 3.31Å; D182-S1617 VanDerWaalsContact N-OG 3.13Å; D182-S1617 PolarHBondContact O-N 3.02Å; D182-S1617 PolarHBondContact O-OG 3.02Å; K183-S1617 WeakPolarHBondContact CD-O 3.11Å; K183-S1617 WeakPolarHBondContact CE-O 3.11Å; K183-S1617 PolarHBondContact NZ-O 2.99Å
1618	S	30.3	Very low	33.3	Very low	87 Å²	87	121.5 Å²	121.5	61%	0.608	66%	0.658	S	S	*	*			trans	35	113.4	-175.2	77.7	0	0	0	0	119.1	K183	K183-S1618 WeakPolarHBondContact CD-OG 2.88Å; K183-S1618 PolarHBondContact NZ-O 3.36Å; K183-S1618 PolarHBondContact NZ-OG 3Å
1619	G	31.7	Very low	33.6	Very low	76 Å²	76	126.9 Å²	126.9	78%	0.784	67%	0.673	S	S	*	*			cis	175.1	-175.5	0.1	0	0	0	0	0	110.4
1620	L	32.6	Very low	34	Very low	163 Å²	163	124.8 Å²	124.8	85%	0.853	68%	0.677	S	S	*	*			cis	-174.5	157.4	-10.2	-107.7	174	0	0	0	112.9
1621	L	31.7	Very low	34.1	Very low	141 Å²	141	127 Å²	127	74%	0.738	68%	0.683	S	S	*	*			trans	66.8	109.6	156.9	-59.4	175.2	0	0	0	126.6
1622	R	35.6	Very low	35.1	Very low	220 Å²	220	126.2 Å²	126.2	83%	0.83	69%	0.685	S	S	*	*				77.9	139.7	125.4	-158	-168.7	-64.4	-119.5	6.8	127.2
1623	S	33.8	Very low	34.9	Very low	59 Å²	59	126.3 Å²	126.3	41%	0.413	69%	0.69	S	S	.	*			trans	162.6	168.2	142.9	-70.6	0	0	0	0	119.9	T1602 L1603 S1604	T1602-S1623 CarbonylContact O-C 3.52Å; T1602-S1623 WeakPolarHBondContact O-CB 3.46Å; L1603-S1623 CarbonylContact C-O 3.06Å; L1603-S1623 WeakPolarHBondContact CA-O 3.25Å; L1603-S1623 WeakPolarHBondContact CB-O 3.2Å; L1603-S1623 VanDerWaalsContact O-O 3.1Å; S1604-S1623 WeakPolarHBondContact CA-O 3.22Å; S1604-S1623 WeakPolarHBondContact CB-O 3.33Å; S1604-S1623 PolarHBondContact N-O 2.84Å; S1604-S1623 PolarHBondContact OG-O 3.4Å
1624	L	38.7	Very low	34.6	Very low	116 Å²	116	128 Å²	128	61%	0.607	70%	0.695	S	S	*	*			trans	-116	154.7	-159.1	-58.9	167.2	0	0	0	126.7	T1602 L1603	T1602-L1624 CarbonylContact C-O 3.34Å; T1602-L1624 VanDerWaalsContact C-O 3.28Å; T1602-L1624 WeakPolarHBondContact O-CA 3.26Å; T1602-L1624 PolarHBondContact O-N 3.33Å; L1603-L1624 CarbonylContact O-C 3.18Å; L1603-L1624 WeakPolarHBondContact O-CA 3.46Å; L1603-L1624 PolarHBondContact O-N 3.09Å
1625	S	39.1	Very low	34.5	Very low	101 Å²	101	124.8 Å²	124.8	71%	0.706	69%	0.691	S	S	*	*			trans	91.1	0	138.1	66.4	0	0	0	0	131.7	L1603	L1603-S1625 PolarHBondContact O-N 2.99Å
1626	G	38.4	Very low	34.5	Very low	40 Å²	40	125.9 Å²	125.9	41%	0.412	70%	0.699	S	S	.	*				0	0	0	0	0	0	0	0	122.3	V884 D886	V884-G1626 VanDerWaalsContact CG1-CA 3.49Å; D886-G1626 VanDerWaalsContact CG-C 3.47Å; D886-G1626 WeakPolarHBondContact OD1-CA 3.31Å; D886-G1626 VanDerWaalsContact OD2-CA 3.26Å; D886-G1626 WeakPolarHBondContact OD2-CA 2.84Å; D886-G1626 PolarHBondContact OD2-N 3.22Å
1627	K	34.8	Very low	34.5	Very low	110 Å²	110	128.7 Å²	128.7	48%	0.478	71%	0.709	S	S	.	*				0	0	0	-164.4	-86.9	177.9	-65.7	0	117.9	V884 D885 D886	V884-K1627 HydrophobicContact CB-CG 4.41Å; V884-K1627 HydrophobicContact CG1-CB 3.98Å; V884-K1627 HydrophobicContact CG1-CG 3.95Å; V884-K1627 HydrophobicContact CG2-CG 3.99Å; D885-K1627 IonicContact OD1-NZ 3.18Å; D885-K1627 PolarHBondContact OD1-NZ 3.26Å; D885-K1627 WeakPolarHBondContact OD2-CG 3.31Å; D885-K1627 IonicContact OD2-NZ 2.63Å; D885-K1627 PolarHBondContact OD2-NZ 3.34Å; D886-K1627 WeakPolarHBondContact OD1-CA 3.05Å; D886-K1627 PolarHBondContact OD1-N 3.41Å
1628	K	33	Very low	34.7	Very low	187 Å²	187	134.2 Å²	134.2	81%	0.813	73%	0.732	S	S	*	*				0	0	0	-119.7	173.6	-177.8	175.6	0	124.6	D885	D885-K1628 PolarHBondContact OD2-N 3.36Å
1629	K	38.9	Very low	34.8	Very low	217 Å²	217	133.5 Å²	133.5	94%	0.943	74%	0.739	S	S	*	*				0	169.4	0	-123.7	171	-175.5	165.3	0	121
1630	C	36.1	Very low	35.3	Very low	130 Å²	130	135.9 Å²	135.9	88%	0.878	74%	0.74	S	S	*	*			trans	-155.7	-165.9	174.6	-153	0	0	0	0	119
1631	L	35.5	Very low	35.6	Very low	165 Å²	165	133.5 Å²	133.5	86%	0.864	74%	0.735	S	S	*	*			trans	-106.1	129.6	-164.4	-86.2	165.2	0	0	0	118.2
1632	P	50.6	Low	35.6	Very low	109 Å²	109	134.2 Å²	134.2	71%	0.708	74%	0.738	S	S	*	*			trans	-96.8	-170.3	175.7	40.3	-36.7	0	0	0	113.9
1633	T	33.7	Very low	35.3	Very low	127 Å²	127	129.1 Å²	129.1	78%	0.779	74%	0.735	S	S	*	*			cis	-160.7	165	17.8	-26	0	0	0	0	111.8
1634	K	27.9	Very low	35.2	Very low	191 Å²	191	133.7 Å²	133.7	83%	0.83	75%	0.754	S	S	*	*			trans	-165.7	-178	170.2	-107.4	-178	174.8	-178.3	0	111.8
1635	V	29.1	Very low	34.8	Very low	119 Å²	119	135.5 Å²	135.5	72%	0.721	76%	0.764	S	S	*	*				-149.8	179.1	-75.4	-84.8	0	0	0	0	110
1636	S	31.8	Very low	34.5	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	76%	0.764	S	S	*	*			trans	87.1	148.8	159.6	-64.3	0	0	0	0	119.7
1637	F	32.2	Very low	34.1	Very low	184 Å²	184	138.9 Å²	138.9	81%	0.807	78%	0.782	S	S	*	*			cis	-154.8	-73.2	-19.6	-178.5	-137.4	0	0	0	117
1638	M	33.3	Very low	33.9	Very low	161 Å²	161	139.2 Å²	139.2	79%	0.793	80%	0.798	S	S	*	*			trans	-134.2	138.3	-164.5	-96.2	-179.3	63.9	0	0	115.3
1639	G	32.8	Very low	33.9	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	80%	0.797	S	S	*	*			trans	100.9	114.6	147	0	0	0	0	0	119.4
1640	P	42.7	Very low	33.5	Very low	125 Å²	125	131.8 Å²	131.8	81%	0.812	79%	0.791	S	S	*	*			trans	-92.7	178.5	170	41	-36.4	0	0	0	111.6
1641	P	37.6	Very low	33.1	Very low	114 Å²	114	130.4 Å²	130.4	74%	0.74	78%	0.781	S	S	*	*			cis	-149.1	-173.2	27.4	41.8	-18.8	0	0	0	119.6
1642	L	31.6	Very low	32.6	Very low	155 Å²	155	128.1 Å²	128.1	81%	0.812	78%	0.775	S	S	*	*			trans	88.6	122.4	159.7	-62.7	179.2	0	0	0	121.2
1643	C	30.2	Very low	31.4	Very low	113 Å²	113	128.6 Å²	128.6	76%	0.764	78%	0.775	S	S	*	*			trans	82.9	124.3	148.4	-64.6	0	0	0	0	121.9
1644	L	31.1	Very low	31.1	Very low	155 Å²	155	127.8 Å²	127.8	81%	0.812	77%	0.77	S	S	*	*			trans	78.2	112	157.5	-60.1	166.2	0	0	0	119.3
1645	D	30.7	Very low	31.1	Very low	154 Å²	154	124.5 Å²	124.5	82%	0.824	77%	0.766	S	S	*	*			trans	57	129.8	147.4	-56.4	-12.9	0	0	0	121.1
1646	A	32	Very low	31	Very low	84 Å²	84	122.8 Å²	122.8	69%	0.694	76%	0.759	S	S	*	*			cis	-156.3	152.2	-4.5	0	0	0	0	0	114.6
1647	T	31.3	Very low	31.1	Very low	129 Å²	129	122.8 Å²	122.8	79%	0.791	75%	0.749	S	S	*	*			trans	61.4	101.1	154.4	50.3	0	0	0	0	122.9
1648	S	30.3	Very low	31.1	Very low	117 Å²	117	119 Å²	119	82%	0.818	74%	0.737	S	S	*	*			trans	65.7	143.3	132.7	64.3	0	0	0	0	121.7
1649	S	32.2	Very low	31	Very low	114 Å²	114	114.8 Å²	114.8	80%	0.797	72%	0.723	S	S	*	*			cis	-160.6	162.4	-8	54	0	0	0	0	111.1
1650	V	30.9	Very low	31	Very low	133 Å²	133	113 Å²	113	81%	0.806	70%	0.704	S	S	*	*			trans	-144.8	137.5	178.8	176.8	0	0	0	0	111.8
1651	C	27.7	Very low	30.5	Very low	101 Å²	101	113.6 Å²	113.6	68%	0.682	70%	0.696	S	S	*	*			trans	66.4	151.4	161.1	-79	0	0	0	0	122.7
1652	T	25.9	Very low	30.1	Very low	118 Å²	118	110 Å²	110	72%	0.724	67%	0.673	S	S	*	*			trans	63.9	116.4	149.9	43.7	0	0	0	0	122.2
1653	V	24.1	Very low	30.3	Very low	118 Å²	118	105.5 Å²	105.5	72%	0.715	65%	0.649	S	S	*	*				39.6	138.8	128.6	-153.3	0	0	0	0	120.3
1654	T	27	Very low	30.3	Very low	111 Å²	111	105.8 Å²	105.8	68%	0.681	64%	0.639	S	S	*	*			trans	77.7	111.3	156	18.2	0	0	0	0	119
1655	T	29.8	Very low	30.5	Very low	121 Å²	121	102.2 Å²	102.2	74%	0.742	63%	0.626	S	S	*	*				51.5	142.7	127.9	55.3	0	0	0	0	121.1
1656	S	26.6	Very low	30.6	Very low	83 Å²	83	100.5 Å²	100.5	58%	0.58	62%	0.62	S	S	*	*			cis	168.4	179.8	-8	50.6	0	0	0	0	108.4
1657	I	32.9	Very low	30.6	Very low	117 Å²	117	101.6 Å²	101.6	60%	0.6	62%	0.62	S	S	*	*			trans	81.6	136.9	157.5	-62.4	157.9	0	0	0	116	D841	D841-I1657 WeakPolarHBondContact OD2-CA 3.32Å; D841-I1657 PolarHBondContact OD2-N 2.64Å
1658	L	32.6	Very low	30.5	Very low	105 Å²	105	101 Å²	101	55%	0.55	62%	0.62	S	S	.	*			cis	-139.6	-93.5	-32.7	-167.2	70.8	0	0	0	115.3	D841 L842	D841-L1658 CarbonylContact C-O 3.07Å; D841-L1658 WeakPolarHBondContact CA-O 3.43Å; D841-L1658 VanDerWaalsContact CB-CA 3.47Å; D841-L1658 VanDerWaalsContact CB-N 3.34Å; D841-L1658 WeakPolarHBondContact CB-O 3.18Å; L842-L1658 WeakPolarHBondContact CA-O 3.49Å; L842-L1658 VanDerWaalsContact CG-N 3.34Å; L842-L1658 PolarHBondContact N-O 3.12Å
1659	S	30.3	Very low	30.3	Very low	71 Å²	71	100.1 Å²	100.1	50%	0.497	61%	0.614	S	S	.	*			trans	-100.2	124	-154.2	59	0	0	0	0	118.4	K843	K843-S1659 WeakPolarHBondContact CA-O 3.45Å
1660	G	33.2	Very low	30.4	Very low	34 Å²	34	100.1 Å²	100.1	35%	0.351	61%	0.614	S	S	.	*				173.8	145	124.2	0	0	0	0	0	115	K843	K843-G1660 VanDerWaalsContact C-CA 3.42Å; K843-G1660 CarbonylContact O-C 3.3Å; K843-G1660 WeakPolarHBondContact O-CA 3.15Å; K843-G1660 VanDerWaalsContact O-O 3.1Å
1661	Q	32.2	Very low	30.5	Very low	138 Å²	138	98.2 Å²	98.2	65%	0.645	61%	0.607	S	S	*	*			cis	72.8	157.9	46.2	28	164.9	-106.9	0	0	116.1	S844 M845	S844-Q1661 CarbonylContact C-O 3.48Å; S844-Q1661 WeakPolarHBondContact CA-O 3.13Å; S844-Q1661 VanDerWaalsContact OG-CB 3.26Å; S844-Q1661 WeakPolarHBondContact OG-CB 3.22Å; S844-Q1661 VanDerWaalsContact OG-CD 3.26Å; S844-Q1661 WeakPolarHBondContact OG-CG 3.18Å; S844-Q1661 PolarHBondContact OG-OE1 3.16Å; M845-Q1661 PolarHBondContact N-O 2.97Å
1662	T	29.9	Very low	30.6	Very low	40 Å²	40	100.7 Å²	100.7	25%	0.245	61%	0.612	C	S	.	*			cis	-122.2	178	-17.4	1.4	0	0	0	0	105.6	M845 D846 Q1664	M845-T1662 VanDerWaalsContact CA-OG1 3.27Å; M845-T1662 WeakPolarHBondContact CA-OG1 3.31Å; D846-T1662 VanDerWaalsContact N-CB 3.35Å; D846-T1662 PolarHBondContact N-O 2.88Å; D846-T1662 PolarHBondContact N-OG1 3.41Å; D846-T1662 CarbonylContact O-C 3.14Å; D846-T1662 VanDerWaalsContact O-C 3.3Å; D846-T1662 VanDerWaalsContact O-O 3.13Å; D846-T1662 WeakPolarHBondContact OD1-CB 2.87Å; D846-T1662 PolarHBondContact OD1-OG1 2.92Å; T1662-Q1664 HydrophobicContact CG2-CG 4.26Å
1663	N	34.5	Very low	30.9	Very low	59 Å²	59	98.2 Å²	98.2	32%	0.316	60%	0.6	S	S	.	*			cis	-137	154	7.4	-101	-47.5	0	0	0	108.8	D846 L847	D846-N1663 VanDerWaalsContact C-ND2 3.35Å; D846-N1663 VanDerWaalsContact CA-ND2 3.34Å; D846-N1663 WeakPolarHBondContact CA-ND2 3.42Å; D846-N1663 VanDerWaalsContact CG-ND2 3.34Å; D846-N1663 WeakPolarHBondContact O-CB 3.06Å; D846-N1663 PolarHBondContact O-N 3.45Å; D846-N1663 VanDerWaalsContact O-N 3.11Å; D846-N1663 PolarHBondContact OD1-ND2 3.06Å; L847-N1663 VanDerWaalsContact CA-ND2 3.33Å; L847-N1663 WeakPolarHBondContact CA-ND2 3.01Å; L847-N1663 WeakPolarHBondContact CD1-ND2 3.49Å; L847-N1663 HydrophobicContact CG-CB 4.43Å; L847-N1663 WeakPolarHBondContact CG-ND2 3.46Å; L847-N1663 PolarHBondContact N-ND2 2.84Å
1664	Q	32	Very low	31	Very low	119 Å²	119	97 Å²	97	56%	0.556	60%	0.602	S	S	*	*				55.7	141.9	66.4	-52.5	-81.9	8.3	0	0	112.2	T1662	T1662-Q1664 HydrophobicContact CG2-CG 4.26Å
1665	P	34.7	Very low	31.3	Very low	81 Å²	81	97.8 Å²	97.8	53%	0.526	61%	0.607	S	S	.	*			cis	-123.1	174.8	29.9	41.9	-28.4	0	0	0	113.6	E849	E849-P1665 HydrophobicContact CG-CG 4.35Å
1666	V	33.4	Very low	31.5	Very low	117 Å²	117	96 Å²	96	71%	0.709	60%	0.598	S	S	*	*			cis	-156.7	154.3	-20.3	124.3	0	0	0	0	106.1
1667	P	32.1	Very low	31.5	Very low	107 Å²	107	97.1 Å²	97.1	70%	0.695	60%	0.601	S	S	*	*			trans	-71.1	140	-176.7	29.1	-37.2	0	0	0	113.2
1668	C	27.4	Very low	31.2	Very low	117 Å²	117	95.2 Å²	95.2	79%	0.791	60%	0.598	S	S	*	*			trans	-160.4	144.2	147.3	-134.2	0	0	0	0	112.6
1669	S	27.7	Very low	31.1	Very low	99 Å²	99	94.8 Å²	94.8	69%	0.692	60%	0.604	S	S	*	*			trans	59.8	141.8	149.2	-58.1	0	0	0	0	121.7
1670	S	34.3	Very low	31.3	Very low	113 Å²	113	95.8 Å²	95.8	79%	0.79	61%	0.607	S	S	*	*			trans	61.1	131.1	152.8	45.7	0	0	0	0	119.8
1671	S	32.5	Very low	31.2	Very low	94 Å²	94	99.6 Å²	99.6	66%	0.657	62%	0.618	S	S	*	*			cis	-172.3	140.5	-5.8	45.8	0	0	0	0	111.4
1672	L	30.5	Very low	31.3	Very low	152 Å²	152	97.7 Å²	97.7	80%	0.796	61%	0.609	S	S	*	*			trans	54.6	144.9	136.6	-57.4	170.3	0	0	0	118.8
1673	S	31.4	Very low	31.4	Very low	67 Å²	67	101.6 Å²	101.6	47%	0.469	62%	0.623	S	S	.	*			cis	-155.9	135.9	-3.4	43.2	0	0	0	0	105.4
1674	A	25.6	Very low	31.4	Very low	91 Å²	91	103.7 Å²	103.7	75%	0.752	63%	0.633	S	S	*	*				56.2	143.9	73.3	0	0	0	0	0	114.4
1675	T	32.7	Very low	31.3	Very low	129 Å²	129	100.7 Å²	100.7	79%	0.791	63%	0.625	S	S	*	*			trans	-55.3	168.1	163.6	49.6	0	0	0	0	111.2
1676	P	36.1	Very low	31.2	Very low	84 Å²	84	104.6 Å²	104.6	55%	0.545	63%	0.634	S	S	.	*			cis	-141.3	-162.6	13.4	40.9	-20	0	0	0	114.5
1677	T	25.3	Very low	31	Very low	105 Å²	105	102.5 Å²	102.5	64%	0.644	63%	0.625	S	S	*	*			trans	65.8	135.5	149.9	52.7	0	0	0	0	121.7
1678	S	27.1	Very low	31.1	Very low	77 Å²	77	102.4 Å²	102.4	54%	0.538	62%	0.622	S	S	.	*			trans	84.5	114.2	135.6	75.5	0	0	0	0	121.1
1679	S	30.5	Very low	31.4	Very low	96 Å²	96	100.1 Å²	100.1	67%	0.671	61%	0.605	S	S	*	*				76.6	172.8	118.6	83.2	0	0	0	0	121
1680	V	33.4	Very low	31.7	Very low	93 Å²	93	100.4 Å²	100.4	56%	0.564	59%	0.591	S	S	*	*			trans	52.7	86.3	158	-177.9	0	0	0	0	116.3
1681	L	31.4	Very low	31.6	Very low	113 Å²	113	97.8 Å²	97.8	59%	0.592	57%	0.57	S	S	*	*				80.2	133	80.8	-73.2	170.3	0	0	0	117.1
1682	Q	34.1	Very low	31.5	Very low	98 Å²	98	99.5 Å²	99.5	46%	0.458	56%	0.563	S	S	.	*			trans	85.5	121.8	133.3	-76	-177.3	34.3	0	0	124.5	K6	K6-Q1682 WeakPolarHBondContact CE-O 3.5Å; K6-Q1682 PolarHBondContact NZ-O 3.21Å
1683	K	32.5	Very low	31.6	Very low	122 Å²	122	96.1 Å²	96.1	53%	0.53	55%	0.551	S	S	.	*				84.9	125.1	118.9	-81.2	177.8	178	161.6	0	122.3	K6	K6-K1683 VanDerWaalsContact CD-O 3.25Å; K6-K1683 WeakPolarHBondContact CD-O 2.63Å; K6-K1683 WeakPolarHBondContact CE-O 2.88Å; K6-K1683 PolarHBondContact NZ-O 3.19Å
1684	I	34.9	Very low	31.9	Very low	103 Å²	103	102 Å²	102	53%	0.528	57%	0.568	S	S	.	*				74.5	132.8	126.9	-63.7	174.1	0	0	0	116	E8	E8-I1684 WeakPolarHBondContact OE2-CA 3.29Å; E8-I1684 PolarHBondContact OE2-N 3.47Å
1685	S	30.5	Very low	32.2	Very low	56 Å²	56	104 Å²	104	39%	0.392	57%	0.571	S	S	.	*			cis	-142.2	173.7	-3.9	-128.7	0	0	0	0	109.5
1686	F	31.6	Very low	32	Very low	163 Å²	163	103.7 Å²	103.7	72%	0.715	57%	0.569	S	S	*	*			cis	-143.6	170.4	32.6	-73.3	-92.4	0	0	0	115.1
1687	S	30.6	Very low	31.8	Very low	74 Å²	74	102.8 Å²	102.8	52%	0.517	58%	0.575	S	S	.	*			trans	14.7	145.1	143.6	-63.9	0	0	0	0	122.2	T10	T10-S1687 WeakPolarHBondContact O-CA 3.38Å
1688	T	33.7	Very low	32.1	Very low	104 Å²	104	102.7 Å²	102.7	64%	0.638	58%	0.575	S	S	*	*			cis	-159.3	122.6	4	12.1	0	0	0	0	108.6
1689	T	34.1	Very low	32.2	Very low	70 Å²	70	107 Å²	107	43%	0.429	58%	0.584	S	S	.	*				95.6	136.5	100.7	-60	0	0	0	0	114.7	K11 V12	K11-T1689 VanDerWaalsContact CA-OG1 3.31Å; K11-T1689 WeakPolarHBondContact CA-OG1 3.27Å; K11-T1689 PolarHBondContact N-OG1 2.85Å; K11-T1689 PolarHBondContact O-OG1 2.91Å; V12-T1689 PolarHBondContact N-OG1 2.97Å
1690	R	32.9	Very low	32.2	Very low	104 Å²	104	112 Å²	112	39%	0.392	59%	0.594	S	S	.	*			cis	-140	140.6	0.5	-163.9	-169.8	-104.9	-165.4	4	111.6	V12 K13 F14 P819	V12-R1690 VanDerWaalsContact O-CZ 3.23Å; V12-R1690 PolarHBondContact O-NE 2.72Å; V12-R1690 PolarHBondContact O-NH2 2.93Å; K13-R1690 PolarHBondContact O-NH2 2.76Å; F14-R1690 HydrophobicContact CE2-CG 4.1Å; P819-R1690 WeakPolarHBondContact CD-O 3.45Å; P819-R1690 VanDerWaalsContact CG-O 3.3Å; P819-R1690 WeakPolarHBondContact CG-O 3.46Å
1691	T	32.6	Very low	32.2	Very low	58 Å²	58	111.8 Å²	111.8	36%	0.356	60%	0.602	S	S	.	*			trans	-75.1	-174.6	170.1	-3.5	0	0	0	0	112.7	F14 K818	F14-T1691 WeakPolarHBondContact CE2-O 3.48Å; F14-T1691 WeakPolarHBondContact CZ-O 3.47Å; K818-T1691 CarbonylContact O-C 3.37Å; K818-T1691 VanDerWaalsContact O-C 3.27Å; K818-T1691 WeakPolarHBondContact O-CA 3.18Å
1692	W	30	Very low	32.2	Very low	131 Å²	131	114.7 Å²	114.7	50%	0.496	61%	0.609	S	S	.	*			cis	-134.1	134.7	35.8	-61.8	-2	0	0	0	114	K13 F14 Y817	K13-W1692 HydrophobicContact CB-CZ2 4.17Å; K13-W1692 HydrophobicContact CD-CZ2 3.61Å; K13-W1692 VanDerWaalsContact CE-CZ2 3.49Å; K13-W1692 HydrophobicContact CG-CZ2 3.65Å; F14-W1692 HydrophobicContact CB-CH2 4.34Å; F14-W1692 HydrophobicContact CB-CZ2 4.03Å; F14-W1692 AromaticContact CD2-CD1 3.89Å; F14-W1692 AromaticContact CD2-CD2 3.92Å; F14-W1692 HydrophobicContact CD2-CD2 3.92Å; F14-W1692 AromaticContact CD2-CE2 3.29Å; F14-W1692 HydrophobicContact CD2-CG 4.26Å; F14-W1692 HydrophobicContact CD2-CH2 4.25Å; F14-W1692 AromaticContact CD2-CZ2 3.47Å; F14-W1692 HydrophobicContact CD2-CZ2 3.47Å; F14-W1692 VanDerWaalsContact CD2-CZ2 3.47Å; F14-W1692 AromaticContact CD2-NE1 3.33Å; F14-W1692 VanDerWaalsContact CD2-NE1 3.33Å; F14-W1692 AromaticContact CE2-CD1 3.43Å; F14-W1692 VanDerWaalsContact CE2-CD1 3.43Å; F14-W1692 AromaticContact CE2-CD2 3.83Å; F14-W1692 HydrophobicContact CE2-CD2 3.83Å; F14-W1692 AromaticContact CE2-CE2 3.61Å; F14-W1692 AromaticContact CE2-CG 3.72Å; F14-W1692 HydrophobicContact CE2-CG 3.72Å; F14-W1692 HydrophobicContact CE2-CZ2 4.25Å; F14-W1692 AromaticContact CE2-NE1 3.4Å; F14-W1692 HydrophobicContact CG-CH2 4.48Å; F14-W1692 HydrophobicContact CG-CZ2 4.04Å; F14-W1692 HydrophobicContact CZ-CG 4.48Å; Y817-W1692 CarbonylContact C-O 3.3Å; Y817-W1692 PolarHBondContact N-O 3.39Å; Y817-W1692 CarbonylContact O-C 3.27Å
1693	S	33.7	Very low	32.1	Very low	80 Å²	80	115.8 Å²	115.8	56%	0.559	62%	0.623	S	S	*	*			trans	-142.4	155.3	-176	-89.9	0	0	0	0	110.9	Y817	Y817-S1693 PolarHBondContact O-OG 3.28Å
1694	K	37.1	Very low	32.2	Very low	190 Å²	190	115 Å²	115	83%	0.826	63%	0.63	S	S	*	*			trans	74.2	134.2	171.4	-63.2	-170.4	175.9	-174.1	0	116.2
1695	V	30.8	Very low	32.2	Very low	134 Å²	134	114.4 Å²	114.4	81%	0.812	63%	0.632	S	S	*	*			cis	82.4	149.7	19.2	-168.5	0	0	0	0	114.7
1696	V	28.8	Very low	32.3	Very low	122 Å²	122	118.8 Å²	118.8	74%	0.739	65%	0.647	S	S	*	*			trans	82.4	134.7	-177.8	-168.9	0	0	0	0	112.3	T1698	V1696-T1698 HydrophobicContact CG1-CG2 4.15Å
1697	G	31.4	Very low	32.2	Very low	66 Å²	66	117.2 Å²	117.2	68%	0.68	65%	0.646	S	S	*	*			cis	-167.9	-141.1	3.3	0	0	0	0	0	111.4
1698	T	32.3	Very low	32.5	Very low	103 Å²	103	119.8 Å²	119.8	63%	0.632	65%	0.65	S	S	*	*			cis	-162.6	142.6	24.2	38.4	0	0	0	0	115.6	V1696	V1696-T1698 HydrophobicContact CG1-CG2 4.15Å
1699	K	29.9	Very low	32.4	Very low	168 Å²	168	117.6 Å²	117.6	73%	0.73	65%	0.647	S	S	*	*				54.5	121.5	126.2	-53.8	166.2	-171.4	170.5	0	121.4
1700	F	30.1	Very low	32.3	Very low	201 Å²	201	121.6 Å²	121.6	88%	0.882	67%	0.666	S	S	*	*				-131.4	158.2	112.6	-84.5	-85.8	0	0	0	107.6
1701	A	33.4	Very low	32.5	Very low	88 Å²	88	122.2 Å²	122.2	73%	0.727	69%	0.687	S	S	*	*	S	Bend	cis	-100.3	146.7	-8.6	0	0	0	0	0	109.6
1702	K	32.2	Very low	32.4	Very low	173 Å²	173	125.5 Å²	125.5	75%	0.752	71%	0.706	S	S	*	*				70.9	115	55.2	-167.1	178.6	-175.6	-178.2	0	110.9
1703	V	32.1	Very low	32.4	Very low	122 Å²	122	128.3 Å²	128.3	74%	0.739	72%	0.722	S	S	*	*			cis	-156	162	-2.7	111.1	0	0	0	0	110.3
1704	P	33.8	Very low	32.2	Very low	104 Å²	104	130.2 Å²	130.2	68%	0.675	73%	0.731	S	S	*	*			trans	-87.8	-158	175.3	40.4	-32.4	0	0	0	110.3
1705	P	34.4	Very low	31.8	Very low	91 Å²	91	126.2 Å²	126.2	59%	0.591	73%	0.727	S	S	*	*			cis	-147.8	-178.7	9.3	44.9	-24	0	0	0	119.7
1706	E	32.6	Very low	31.6	Very low	149 Å²	149	124.7 Å²	124.7	70%	0.696	72%	0.722	S	S	*	*			trans	64.7	154.6	142.3	-79.3	148.5	-137.7	0	0	121.1
1707	N	30	Very low	31.5	Very low	130 Å²	130	124.4 Å²	124.4	70%	0.695	73%	0.725	S	S	*	*			cis	-171.6	179.2	-39	-118.2	-24	0	0	0	109.8
1708	H	35.8	Very low	31.4	Very low	128 Å²	128	127.8 Å²	127.8	59%	0.593	73%	0.733	S	S	*	*			trans	73.1	150.6	176.1	-52.9	-82.3	0	0	0	115.2	S3	S3-H1708 PolarHBondContact O-CE1 2.56Å; S3-H1708 PolarHBondContact O-ND1 3.32Å
1709	G	33.1	Very low	31.4	Very low	57 Å²	57	129.2 Å²	129.2	59%	0.588	74%	0.736	S	S	*	*			cis	-173.5	151.6	-7.3	0	0	0	0	0	112.6
1710	D	31.6	Very low	31.6	Very low	154 Å²	154	127.5 Å²	127.5	82%	0.824	73%	0.734	S	S	*	*			trans	59.1	165.9	164.2	-56.2	-37.5	0	0	0	117.2
1711	S	36.8	Very low	31.7	Very low	118 Å²	118	124.4 Å²	124.4	83%	0.825	73%	0.726	S	S	*	*			cis	-122	152.5	0.8	-64.4	0	0	0	0	112.2
1712	T	30.7	Very low	31.6	Very low	126 Å²	126	123.8 Å²	123.8	77%	0.773	72%	0.717	S	S	*	*			trans	-91.3	142.5	174.9	58.5	0	0	0	0	113.4
1713	K	29.9	Very low	31.5	Very low	190 Å²	190	123 Å²	123	83%	0.826	72%	0.721	S	S	*	*			trans	82.3	146.1	156	-69.8	178.8	174.4	179.7	0	119.6
1714	T	29.1	Very low	31.5	Very low	120 Å²	120	121.9 Å²	121.9	74%	0.736	72%	0.718	S	S	*	*			trans	66.1	84.1	148.5	44.4	0	0	0	0	120.2
1715	S	28.5	Very low	31.4	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	72%	0.721	S	S	*	*				82.6	160.7	108.4	-60.7	0	0	0	0	120.5
1716	S	27.8	Very low	31.2	Very low	102 Å²	102	125.7 Å²	125.7	71%	0.713	72%	0.721	S	S	*	*			trans	76.6	88.3	158.5	-51.9	0	0	0	0	117.3
1717	S	25.8	Very low	31.2	Very low	115 Å²	115	127.5 Å²	127.5	80%	0.804	73%	0.729	S	S	*	*				37.2	112.8	128.3	56.4	0	0	0	0	119.2
1718	V	28.5	Very low	31.2	Very low	138 Å²	138	124.8 Å²	124.8	84%	0.836	72%	0.718	S	S	*	*			trans	-124.3	130.8	165.2	155.7	0	0	0	0	106.6
1719	L	32.5	Very low	30.9	Very low	133 Å²	133	126.1 Å²	126.1	70%	0.696	72%	0.724	S	S	*	*			cis	-174.1	179.5	-9.9	-137.1	-178.8	0	0	0	110.2
1720	L	34.9	Very low	31.1	Very low	132 Å²	132	131.3 Å²	131.3	69%	0.691	73%	0.733	S	S	*	*			trans	84	147.5	157.2	-56.9	147.9	0	0	0	117.9
1721	N	31.5	Very low	31.2	Very low	135 Å²	135	127.8 Å²	127.8	72%	0.722	72%	0.72	S	S	*	*			cis	-124.6	140.7	-0	-106.9	-22.2	0	0	0	110.2
1722	S	31.8	Very low	30.9	Very low	76 Å²	76	129 Å²	129	53%	0.531	72%	0.718	S	S	.	*				69.5	136.7	60	-36.4	0	0	0	0	112.6
1723	N	29.8	Very low	31.2	Very low	155 Å²	155	131.2 Å²	131.2	83%	0.829	72%	0.718	S	S	*	*			cis	-121	-175.9	16.9	-61.1	-36.5	0	0	0	111.2
1724	S	33.6	Very low	31.4	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	71%	0.711	S	S	*	*			cis	-158.2	151.9	18.5	-159.7	0	0	0	0	116.2
1725	V	31.4	Very low	31.6	Very low	120 Å²	120	128.6 Å²	128.6	73%	0.727	71%	0.712	S	S	*	*			trans	-3.3	114.7	142.8	-171.4	0	0	0	0	115.5
1726	W	29.2	Very low	31.8	Very low	155 Å²	155	128.6 Å²	128.6	59%	0.587	71%	0.707	S	S	*	*				78	105.1	61.3	-76	51.4	0	0	0	117.6	Y855	Y855-W1726 VanDerWaalsContact N-CH2 3.32Å; Y855-W1726 VanDerWaalsContact O-CZ3 3.22Å; Y855-W1726 WeakPolarHBondContact O-CZ3 3.04Å
1727	Q	32.1	Very low	31.9	Very low	187 Å²	187	132.2 Å²	132.2	87%	0.874	71%	0.713	S	S	*	*			trans	-168.3	120.4	132.8	-100.8	173.8	8.8	0	0	105.1
1728	T	31.3	Very low	31.9	Very low	74 Å²	74	134.8 Å²	134.8	45%	0.454	71%	0.712	S	S	.	*				77	127.2	60.5	-41	0	0	0	0	113.8
1729	E	29.7	Very low	32	Very low	155 Å²	155	133.7 Å²	133.7	72%	0.724	71%	0.711	S	S	*	*			trans	93.6	137	167.4	-54.4	-153.3	146.8	0	0	120.7
1730	H	36.1	Very low	31.8	Very low	166 Å²	166	134 Å²	134	77%	0.769	71%	0.713	S	S	*	*			trans	60.1	128.3	158.4	-69.5	-55.5	0	0	0	118.9
1731	S	34.6	Very low	31.5	Very low	80 Å²	80	135.9 Å²	135.9	56%	0.559	72%	0.718	S	S	*	*			cis	120.6	109	24.6	154	0	0	0	0	108.9
1732	N	29.6	Very low	31.5	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	71%	0.711	S	S	*	*			trans	64.2	169.6	162	-62.9	-69.4	0	0	0	116.9
1733	H	37.6	Very low	31.6	Very low	171 Å²	171	138 Å²	138	79%	0.792	72%	0.716	S	S	*	*			trans	62.3	109.4	179.2	-80.3	-98.7	0	0	0	115.6
1734	V	35	Very low	31.9	Very low	112 Å²	112	139 Å²	139	68%	0.679	71%	0.714	S	S	*	*				74.6	97.3	76.2	172.4	0	0	0	0	111.7
1735	I	33.3	Very low	31.9	Very low	144 Å²	144	140.4 Å²	140.4	74%	0.738	71%	0.713	S	S	*	*				44.8	98.7	128.2	-55.3	174	0	0	0	116.3
1736	T	32.3	Very low	32.1	Very low	106 Å²	106	141 Å²	141	65%	0.65	71%	0.711	S	S	*	*				58.7	113.3	121	-44.7	0	0	0	0	120.3
1737	E	28.6	Very low	32.3	Very low	179 Å²	179	139.1 Å²	139.1	84%	0.836	71%	0.712	S	S	*	*			trans	63.6	146.2	148.9	-66	170.4	-139.4	0	0	120.3
1738	E	26.1	Very low	32.3	Very low	169 Å²	169	136.1 Å²	136.1	79%	0.79	70%	0.702	S	S	*	*				177.5	126	120.7	-102	-173	-155.8	0	0	111.1
1739	S	31.2	Very low	32.3	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	72%	0.716	S	S	*	*			trans	-161.6	38.4	150.4	82.6	0	0	0	0	114
1740	N	27.7	Very low	32.2	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	71%	0.714	S	S	*	*	S	Bend	trans	-126.2	107.9	133.9	-80.2	-40.4	0	0	0	102.2
1741	E	29.1	Very low	31.9	Very low	171 Å²	171	133.2 Å²	133.2	80%	0.799	72%	0.715	S	S	*	*				46.6	98	93.4	-63.9	-165.1	-154.9	0	0	109.7
1742	D	31.3	Very low	31.6	Very low	107 Å²	107	135 Å²	135	57%	0.572	72%	0.723	S	S	*	*			cis	-163.6	147.5	38.4	-150.9	17.9	0	0	0	116
1743	K	34.7	Very low	31.7	Very low	147 Å²	147	133.7 Å²	133.7	64%	0.639	72%	0.72	S	S	*	*			trans	42	110.9	148.5	-74.2	168.2	-161.7	76.9	0	119.9
1744	K	35.1	Very low	31.6	Very low	178 Å²	178	131.6 Å²	131.6	77%	0.774	72%	0.72	S	S	*	*				83.8	146.7	112.7	-79.4	178.9	155.5	-168	0	122
1745	L	34.7	Very low	31.5	Very low	128 Å²	128	131.4 Å²	131.4	67%	0.67	72%	0.724	S	S	*	*			trans	81.6	125.5	142.2	-104.3	91.4	0	0	0	119.7
1746	L	34.2	Very low	31.5	Very low	133 Å²	133	131.2 Å²	131.2	70%	0.696	72%	0.724	S	S	*	*			trans	53.4	137.9	141.8	-87.1	66.9	0	0	0	118.4
1747	D	34	Very low	31.7	Very low	114 Å²	114	131.3 Å²	131.3	61%	0.61	73%	0.725	S	S	*	*			cis	-158.8	151.5	23.1	-128.6	-19.3	0	0	0	114.3
1748	N	32.8	Very low	32.1	Very low	125 Å²	125	129.3 Å²	129.3	67%	0.668	72%	0.72	S	S	*	*			trans	51.2	115.8	143.2	-67.6	-35.9	0	0	0	124.3
1749	T	31.4	Very low	32.7	Very low	122 Å²	122	125.8 Å²	125.8	75%	0.748	71%	0.713	S	S	*	*				76.5	100.4	113.1	-53	0	0	0	0	121.5
1750	A	27	Very low	32.8	Very low	81 Å²	81	127.4 Å²	127.4	67%	0.669	72%	0.718	S	S	*	*			trans	30.6	135.8	131.9	0	0	0	0	0	122.7
1751	T	29.2	Very low	33.4	Very low	130 Å²	130	127.1 Å²	127.1	80%	0.798	72%	0.721	S	S	*	*				-177.5	144.8	107.6	26.2	0	0	0	0	115.6
1752	T	29.6	Very low	33.6	Very low	118 Å²	118	128.9 Å²	128.9	72%	0.724	73%	0.726	S	S	*	*			trans	59	110.6	148	51.7	0	0	0	0	125
1753	T	30.8	Very low	33.4	Very low	118 Å²	118	129.3 Å²	129.3	72%	0.724	74%	0.737	S	S	*	*				95.2	132.3	110.2	-55.1	0	0	0	0	123.8
1754	T	35	Very low	33.1	Very low	127 Å²	127	128 Å²	128	78%	0.779	75%	0.746	S	S	*	*			trans	82.3	124.4	157.6	36	0	0	0	0	124.5
1755	S	33	Very low	32.5	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	75%	0.752	S	S	*	*			trans	87.7	145.3	156	83.6	0	0	0	0	119.1
1756	N	33.7	Very low	32	Very low	140 Å²	140	128.3 Å²	128.3	75%	0.749	75%	0.753	S	S	*	*			cis	-149.1	-113.4	-11.9	-125.2	80.4	0	0	0	116.9
1757	T	37.3	Very low	31.6	Very low	108 Å²	108	126.8 Å²	126.8	66%	0.663	75%	0.753	S	S	*	*			trans	-163.9	170.3	-146.2	53.2	0	0	0	0	111.9
1758	D	36.2	Very low	31.1	Very low	137 Å²	137	128 Å²	128	73%	0.733	76%	0.757	S	S	*	*			cis	-174.7	174.9	-3.1	-114.4	-135.1	0	0	0	109.1
1759	S	39.3	Very low	30.9	Very low	94 Å²	94	129.2 Å²	129.2	66%	0.657	76%	0.758	S	S	*	*			cis	-170.2	157.3	-31.9	52.8	0	0	0	0	110.7
1760	V	33.5	Very low	30.8	Very low	150 Å²	150	127.2 Å²	127.2	91%	0.909	75%	0.749	S	S	*	*			trans	-142	176.4	178.1	177.5	0	0	0	0	110.9
1761	V	40.3	Very low	30.8	Very low	134 Å²	134	129.4 Å²	129.4	81%	0.812	75%	0.749	S	S	*	*			trans	-68.3	138.7	-163.9	179.3	0	0	0	0	117.8
1762	K	32.1	Very low	30.7	Very low	207 Å²	207	133.4 Å²	133.4	90%	0.9	75%	0.749	S	S	*	*			trans	-154.8	-164.8	143.8	-132.1	171.7	-174.3	175	0	113.7
1763	C	28.1	Very low	30.7	Very low	117 Å²	117	131.8 Å²	131.8	79%	0.791	74%	0.743	S	S	*	*			trans	-95.8	175.4	-161.7	-71.6	0	0	0	0	116.6
1764	S	27.5	Very low	30.7	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	75%	0.748	S	S	*	*			trans	91	160.2	156.9	-65.5	0	0	0	0	119.3
1765	Y	23	Very low	30.8	Very low	230 Å²	230	130.8 Å²	130.8	90%	0.902	74%	0.742	S	S	*	*			trans	-19.9	158.3	175.2	-118.7	-102.4	0	0	0	120.1
1766	A	23.7	Very low	30.7	Very low	82 Å²	82	132.8 Å²	132.8	68%	0.678	74%	0.744	S	S	*	*			trans	69.9	118.4	174.3	0	0	0	0	0	113.3
1767	S	25.6	Very low	30.7	Very low	100 Å²	100	131 Å²	131	70%	0.699	74%	0.742	S	S	*	*				70.6	88.3	86.5	-158.9	0	0	0	0	110.6
1768	M	24.9	Very low	30.3	Very low	141 Å²	141	133.3 Å²	133.3	70%	0.695	75%	0.749	S	S	*	*				77.8	141.6	96.3	-75	-168.2	83.6	0	0	113.2
1769	Q	27.8	Very low	30.5	Very low	150 Å²	150	131.9 Å²	131.9	70%	0.701	75%	0.747	S	S	*	*			trans	64.4	171.1	155.3	-73.2	162.5	-10	0	0	114.7	L1771	Q1769-L1771 HydrophobicContact CG-CD1 4.41Å
1770	S	28.4	Very low	29.9	Very low	79 Å²	79	135.7 Å²	135.7	55%	0.552	76%	0.755	S	S	*	*			cis	-126.1	138.9	-21.4	-106.4	0	0	0	0	106
1771	L	27.6	Very low	29.4	Very low	128 Å²	128	132.4 Å²	132.4	67%	0.67	74%	0.743	S	S	*	*				61.9	151.9	62.4	-63.1	166.4	0	0	0	113.4	Q1769	Q1769-L1771 HydrophobicContact CG-CD1 4.41Å
1772	W	28.4	Very low	29.1	Very low	213 Å²	213	131.6 Å²	131.6	81%	0.807	73%	0.734	S	S	*	*			trans	76.9	139.1	171.5	-41.8	104.2	0	0	0	114.5
1773	S	29.6	Very low	29.3	Very low	85 Å²	85	129.5 Å²	129.5	59%	0.594	73%	0.725	S	S	*	*			cis	-160.8	163.2	2.1	-133.4	0	0	0	0	114.3
1774	I	30.3	Very low	29.3	Very low	161 Å²	161	130.1 Å²	130.1	83%	0.826	72%	0.721	S	S	*	*			trans	65.8	128.3	159	-57.5	152.5	0	0	0	115.8
1775	G	35.7	Very low	29.4	Very low	63 Å²	63	131.8 Å²	131.8	65%	0.649	72%	0.715	S	S	*	*			cis	-157.5	174.1	-4.7	0	0	0	0	0	109.3
1776	D	30.9	Very low	29.7	Very low	150 Å²	150	125.2 Å²	125.2	80%	0.802	70%	0.703	S	S	*	*			cis	-149.2	162.1	6.2	-90.9	-40.5	0	0	0	111.7
1777	S	34.9	Very low	30	Very low	102 Å²	102	126.5 Å²	126.5	71%	0.713	70%	0.702	S	S	*	*			trans	52.4	110.1	158.2	-58.2	0	0	0	0	117.9
1778	I	28.1	Very low	30.1	Very low	157 Å²	157	128.1 Å²	128.1	81%	0.805	70%	0.703	S	S	*	*			cis	56.8	143.8	30.4	-17.6	175.2	0	0	0	112.7
1779	P	39.8	Very low	30.2	Very low	107 Å²	107	124.9 Å²	124.9	70%	0.695	69%	0.694	S	S	*	*				-127	-177.5	-72.1	42.5	-29.6	0	0	0	113
1780	Q	27.9	Very low	30.4	Very low	173 Å²	173	120.9 Å²	120.9	81%	0.808	68%	0.68	S	S	*	*			trans	176.4	140.3	134.8	-93.4	171.6	43.5	0	0	107.9
1781	A	23	Very low	30.6	Very low	81 Å²	81	121 Å²	121	67%	0.669	68%	0.675	S	S	*	*			cis	92.9	150.6	35.1	0	0	0	0	0	114.2
1782	N	32.8	Very low	30.8	Very low	117 Å²	117	119 Å²	119	63%	0.626	66%	0.664	S	S	*	*			trans	72.3	143	-171.4	-54.9	-74.6	0	0	0	115.4
1783	K	37	Very low	31.2	Very low	163 Å²	163	115.6 Å²	115.6	71%	0.709	66%	0.661	S	S	*	*			cis	-152.4	128.3	-13.6	-108.8	156.9	-175.7	151.6	0	105.9
1784	N	27.9	Very low	31.5	Very low	131 Å²	131	116 Å²	116	70%	0.701	67%	0.669	S	S	*	*				63.1	134.6	96	-63.9	12.3	0	0	0	113.8
1785	H	30.5	Very low	31.9	Very low	154 Å²	154	114 Å²	114	71%	0.713	67%	0.669	S	S	*	*			cis	-156.5	154.6	13.7	-125.5	-65.4	0	0	0	112
1786	S	29.6	Very low	31.8	Very low	93 Å²	93	115.8 Å²	115.8	65%	0.65	67%	0.672	S	S	*	*			trans	50.5	159.2	138.9	-75.3	0	0	0	0	124
1787	T	29	Very low	31.9	Very low	108 Å²	108	115 Å²	115	66%	0.663	67%	0.673	S	S	*	*			cis	-174.7	149	-47.5	20.3	0	0	0	0	108.7
1788	N	27	Very low	32	Very low	135 Å²	135	114.3 Å²	114.3	72%	0.722	66%	0.664	S	S	*	*			trans	68.7	157.4	163.1	-53.7	-19.1	0	0	0	117.2
1789	S	28.9	Very low	32.2	Very low	72 Å²	72	113.5 Å²	113.5	50%	0.503	66%	0.657	S	S	.	*			cis	-167.7	-176.9	-25.7	-91.7	0	0	0	0	109.3	W793	W793-S1789 VanDerWaalsContact CZ3-O 3.28Å; W793-S1789 WeakPolarHBondContact CZ3-O 2.46Å
1790	T	30.1	Very low	31.9	Very low	66 Å²	66	109 Å²	109	41%	0.405	63%	0.629	S	S	.	*			trans	89.5	119.3	146.1	-26.3	0	0	0	0	121.3	D794 K795	D794-T1790 HydrophobicContact CB-CG2 4.14Å; D794-T1790 VanDerWaalsContact CG-CB 3.4Å; D794-T1790 WeakPolarHBondContact OD1-CB 2.45Å; D794-T1790 WeakPolarHBondContact OD1-CG2 2.46Å; D794-T1790 WeakPolarHBondContact OD2-CB 2.45Å; D794-T1790 WeakPolarHBondContact OD2-CG2 3.33Å; D794-T1790 PolarHBondContact OD2-OG1 3.12Å; K795-T1790 HydrophobicContact CG-CG2 4.43Å
1791	L	33.8	Very low	32.1	Very low	83 Å²	83	105.2 Å²	105.2	44%	0.435	62%	0.619	S	S	.	*			trans	33.2	137.9	138.7	-43.8	170.9	0	0	0	125.8	K795 E796	K795-L1791 HydrophobicContact CG-CD1 3.61Å; E796-L1791 HydrophobicContact CB-CD1 4.15Å; E796-L1791 VanDerWaalsContact CD-CD1 3.4Å; E796-L1791 HydrophobicContact CG-CB 4.28Å; E796-L1791 HydrophobicContact CG-CD1 3.91Å; E796-L1791 HydrophobicContact CG-CG 4.5Å; E796-L1791 WeakPolarHBondContact OE1-CD2 2.46Å; E796-L1791 WeakPolarHBondContact OE2-CD1 2.46Å; E796-L1791 WeakPolarHBondContact OE2-CD2 3.21Å
1792	L	31.5	Very low	32.4	Very low	86 Å²	86	106.4 Å²	106.4	45%	0.45	62%	0.617	S	S	.	*				163.1	150.5	106.2	-108.8	-179.6	0	0	0	117.8	E796	E796-L1792 HydrophobicContact CB-CD2 4.34Å; E796-L1792 HydrophobicContact CG-CD2 3.28Å; E796-L1792 HydrophobicContact CG-CG 3.87Å
1793	L	36.8	Very low	32.3	Very low	141 Å²	141	106.2 Å²	106.2	74%	0.738	62%	0.62	S	S	*	*			trans	47.9	135.7	169.1	-70.6	119	0	0	0	119.5
1794	A	36.8	Very low	32.4	Very low	92 Å²	92	102.5 Å²	102.5	76%	0.76	61%	0.613	S	S	*	*			cis	83.1	157.9	39.8	0	0	0	0	0	114.1
1795	S	38.6	Very low	32.3	Very low	119 Å²	119	98 Å²	98	83%	0.832	59%	0.591	S	S	*	*			cis	-155.2	-160.9	17.9	-154.6	0	0	0	0	114.1
1796	S	32.2	Very low	32.1	Very low	101 Å²	101	95.2 Å²	95.2	71%	0.706	59%	0.585	S	S	*	*			trans	-125.1	-128.2	-163.1	70	0	0	0	0	119.3
1797	T	32.8	Very low	32.1	Very low	134 Å²	134	94 Å²	94	82%	0.822	59%	0.588	S	S	*	*			trans	-116.1	-173.6	-150.2	31.8	0	0	0	0	117.4
1798	V	38.7	Very low	32.5	Very low	88 Å²	88	94.6 Å²	94.6	53%	0.533	59%	0.593	S	S	.	*			trans	-142.8	156.3	-157.4	168.6	0	0	0	0	115.4	R805	R805-V1798 WeakPolarHBondContact O-CG1 3.22Å
1799	Q	31.6	Very low	32.6	Very low	139 Å²	139	95.6 Å²	95.6	65%	0.65	60%	0.597	S	S	*	*			trans	110.9	136.4	167.5	-172.6	174	-106.4	0	0	115.4	V803 S804 R805	V803-Q1799 VanDerWaalsContact CA-O 3.3Å; V803-Q1799 WeakPolarHBondContact CA-O 3.49Å; V803-Q1799 WeakPolarHBondContact CG1-O 3.03Å; S804-Q1799 VanDerWaalsContact N-C 3.31Å; R805-Q1799 HydrophobicContact CG-CG 4.46Å
1800	G	34.4	Very low	32.5	Very low	12 Å²	12	97 Å²	97	12%	0.124	61%	0.606	C	S	.	*			cis	-165.3	167	9	0	0	0	0	0	118.2	V803 S804	V803-G1800 VanDerWaalsContact CG1-O 3.29Å; V803-G1800 WeakPolarHBondContact CG1-O 3.46Å; S804-G1800 VanDerWaalsContact C-CA 3.47Å; S804-G1800 CarbonylContact O-C 3.51Å; S804-G1800 WeakPolarHBondContact O-CA 3.4Å
1801	T	30.8	Very low	32.7	Very low	95 Å²	95	100.2 Å²	100.2	58%	0.583	63%	0.626	S	S	*	*			trans	120.1	148.3	136.2	-23	0	0	0	0	121.6	S804	S804-T1801 PolarHBondContact O-N 2.82Å
1802	V	29.1	Very low	32.5	Very low	106 Å²	106	100.8 Å²	100.8	64%	0.642	63%	0.633	S	S	*	*			trans	88.2	112.5	154.5	-176.4	0	0	0	0	124	R772	R772-V1802 PolarHBondContact NH1-O 3.27Å
1803	V	30.3	Very low	32.4	Very low	112 Å²	112	99.4 Å²	99.4	68%	0.679	63%	0.63	S	S	*	*			trans	41.6	137.5	137.2	-174.9	0	0	0	0	122	R772	R772-V1803 WeakPolarHBondContact CD-O 3.37Å; R772-V1803 PolarHBondContact NH1-O 2.97Å
1804	P	39.7	Very low	32.1	Very low	86 Å²	86	97.7 Å²	97.7	56%	0.558	63%	0.627	S	S	*	*			trans	-109.4	172.6	-149.3	42.9	-36.2	0	0	0	118.5
1805	S	25.3	Very low	31.8	Very low	36 Å²	36	96.1 Å²	96.1	25%	0.252	61%	0.611	S	S	.	*			trans	-164	167.1	176	-170.4	0	0	0	0	116.5	R772 V773	R772-S1805 VanDerWaalsContact CA-CB 3.44Å; R772-S1805 VanDerWaalsContact CA-OG 3.31Å; R772-S1805 WeakPolarHBondContact CA-OG 3.44Å; R772-S1805 VanDerWaalsContact CG-CB 3.46Å; V773-S1805 PolarHBondContact N-OG 2.8Å; V773-S1805 CarbonylContact O-C 2.96Å; V773-S1805 WeakPolarHBondContact O-CA 3.4Å; V773-S1805 VanDerWaalsContact O-CB 3.3Å; V773-S1805 WeakPolarHBondContact O-CB 3.49Å; V773-S1805 PolarHBondContact O-OG 2.95Å
1806	V	26.8	Very low	31.4	Very low	96 Å²	96	92.8 Å²	92.8	58%	0.582	59%	0.586	S	S	*	*			trans	-44.4	159.2	166.5	-67.6	0	0	0	0	116.7	V773 P774	V773-V1806 PolarHBondContact O-N 2.78Å; P774-V1806 VanDerWaalsContact O-CG1 3.25Å; P774-V1806 WeakPolarHBondContact O-CG1 3.4Å
1807	G	29.2	Very low	31.3	Very low	68 Å²	68	92.2 Å²	92.2	70%	0.701	58%	0.578	S	S	*	*			trans	-89.7	-132.3	170.9	0	0	0	0	0	112.8
1808	P	38.3	Very low	31.3	Very low	120 Å²	120	93.1 Å²	93.1	78%	0.779	57%	0.571	S	S	*	*			cis	-134.2	-174.2	9.5	41.4	-23.2	0	0	0	116
1809	L	29.2	Very low	30.9	Very low	155 Å²	155	93.7 Å²	93.7	81%	0.812	58%	0.579	S	S	*	*			trans	74	152.2	147.7	-119.2	68.7	0	0	0	123.3
1810	C	27.3	Very low	30.7	Very low	102 Å²	102	91.4 Å²	91.4	69%	0.689	58%	0.578	S	S	*	*			trans	86.1	142.6	153.1	-69	0	0	0	0	123
1811	T	33.8	Very low	30.6	Very low	133 Å²	133	99.3 Å²	99.3	82%	0.816	61%	0.612	S	S	*	*			trans	59.6	111	171.2	50.2	0	0	0	0	117.4
1812	V	28.7	Very low	30.6	Very low	95 Å²	95	100.9 Å²	100.9	58%	0.576	62%	0.616	S	S	*	*			cis	89	145.6	42.6	-177.2	0	0	0	0	113
1813	S	29.5	Very low	30.7	Very low	58 Å²	58	100.9 Å²	100.9	41%	0.406	62%	0.62	S	S	.	*			trans	-119.3	171	-155.1	-23	0	0	0	0	114.6	A784 S785	A784-S1813 CarbonylContact C-O 3.58Å; S785-S1813 PolarHBondContact N-O 2.83Å
1814	P	31.8	Very low	30.7	Very low	104 Å²	104	102.1 Å²	102.1	68%	0.675	62%	0.623	S	S	*	*			trans	-128.2	131.3	143.6	4.5	18.5	0	0	0	118.2	S786	S786-P1814 VanDerWaalsContact N-CA 3.31Å
1815	S	29.4	Very low	30.4	Very low	59 Å²	59	102.7 Å²	102.7	41%	0.413	62%	0.621	S	S	.	*			trans	-109.6	-128.6	174.6	43.2	0	0	0	0	116.7	S785 S786 Q787	S785-S1815 PolarHBondContact OG-N 3.36Å; S785-S1815 PolarHBondContact OG-OG 2.89Å; S786-S1815 CarbonylContact C-O 3.49Å; S786-S1815 WeakPolarHBondContact CA-O 3.49Å; S786-S1815 PolarHBondContact N-O 2.74Å; Q787-S1815 WeakPolarHBondContact CA-O 3.45Å; Q787-S1815 WeakPolarHBondContact CB-O 3.48Å; Q787-S1815 WeakPolarHBondContact CG-O 3.44Å; Q787-S1815 PolarHBondContact N-O 3.03Å; Q787-S1815 VanDerWaalsContact OE1-C 3.23Å; Q787-S1815 PolarHBondContact OE1-O 2.9Å
1816	T	30.5	Very low	30.8	Very low	49 Å²	49	105.4 Å²	105.4	30%	0.301	63%	0.632	S	S	.	*			trans	62.5	109.7	179	69.9	0	0	0	0	127.2	S785 S786 Q787	S785-T1816 WeakPolarHBondContact OG-CG2 3.44Å; S786-T1816 WeakPolarHBondContact CA-OG1 3.19Å; S786-T1816 WeakPolarHBondContact CB-OG1 3.22Å; S786-T1816 VanDerWaalsContact OG-CG2 3.22Å; S786-T1816 WeakPolarHBondContact OG-CG2 3.49Å; S786-T1816 PolarHBondContact OG-OG1 2.92Å; Q787-T1816 WeakPolarHBondContact CB-O 3.45Å; Q787-T1816 PolarHBondContact NE2-O 2.95Å; Q787-T1816 PolarHBondContact OE1-O 2.88Å
1817	T	29.5	Very low	31.3	Very low	90 Å²	90	105.1 Å²	105.1	55%	0.552	63%	0.633	S	S	*	*				83.5	157.2	122.6	-55.4	0	0	0	0	120.6	Q787	Q787-T1817 PolarHBondContact NE2-O 3.42Å
1818	F	32.9	Very low	31.5	Very low	153 Å²	153	104.9 Å²	104.9	67%	0.671	61%	0.613	S	S	*	*			trans	71.3	133.2	-177.2	-59.8	-69.7	0	0	0	116.8	H788	H788-F1818 AromaticContact CD2-CD2 3.73Å; H788-F1818 AromaticContact CE1-CD2 3.96Å; H788-F1818 AromaticContact NE2-CD2 3.46Å; H788-F1818 WeakPolarHBondContact NE2-CD2 3.38Å; H788-F1818 AromaticContact NE2-CG 3.92Å
1819	S	29.9	Very low	31.3	Very low	100 Å²	100	104.9 Å²	104.9	70%	0.699	61%	0.61	S	S	*	*			cis	-161	168.8	-25.7	-148.4	0	0	0	0	111.4
1820	S	29.1	Very low	31.6	Very low	91 Å²	91	100.1 Å²	100.1	64%	0.636	58%	0.583	S	S	*	*			trans	49	113.8	155	58.6	0	0	0	0	122.3
1821	Q	31.4	Very low	32.2	Very low	177 Å²	177	99.2 Å²	99.2	83%	0.827	58%	0.576	S	S	*	*				66.3	148.7	118.8	-63.5	-175.7	-4.7	0	0	120.8
1822	I	30.7	Very low	32	Very low	129 Å²	129	98.5 Å²	98.5	66%	0.662	56%	0.564	S	S	*	*			cis	-157.8	156.6	-5.9	-117.2	165.3	0	0	0	111.5
1823	S	31.1	Very low	32.4	Very low	106 Å²	106	99.2 Å²	99.2	74%	0.741	56%	0.561	S	S	*	*			trans	69	150.2	167	81.6	0	0	0	0	118.4
1824	N	31.4	Very low	32.8	Very low	137 Å²	137	101.8 Å²	101.8	73%	0.733	57%	0.566	S	S	*	*			cis	-150.1	-162.7	-2.5	-147.4	-25.7	0	0	0	112.7
1825	N	32	Very low	32.8	Very low	99 Å²	99	102 Å²	102	53%	0.529	56%	0.558	S	S	.	*			trans	-101.8	163.4	-169	-69.5	-84.5	0	0	0	114.5
1826	I	35.3	Very low	32.9	Very low	93 Å²	93	103.4 Å²	103.4	48%	0.477	56%	0.56	S	S	.	*			cis	86.9	141.7	17.5	-63.2	172	0	0	0	114.2	K1828	I1826-K1828 HydrophobicContact CG2-CG 4.46Å
1827	C	36.2	Very low	32.6	Very low	89 Å²	89	109.4 Å²	109.4	60%	0.601	59%	0.59	S	S	*	*			cis	174.8	-140.1	-36.8	-96.4	0	0	0	0	107.8
1828	K	33.2	Very low	32.6	Very low	63 Å²	63	113.3 Å²	113.3	27%	0.274	60%	0.602	S	S	.	*			trans	108.7	156.1	151.5	-54.3	-171.5	-172.6	178.2	0	116.5	T316 V317 L465 I1826	T316-K1828 WeakPolarHBondContact O-CG 3.49Å; V317-K1828 HydrophobicContact CB-CD 4Å; V317-K1828 HydrophobicContact CG1-CD 4.01Å; V317-K1828 WeakPolarHBondContact O-CB 3.08Å; V317-K1828 WeakPolarHBondContact O-CD 3.27Å; V317-K1828 WeakPolarHBondContact O-CG 3.41Å; L465-K1828 HydrophobicContact CD2-CD 3.4Å; I1826-K1828 HydrophobicContact CG2-CG 4.46Å
1829	V	35	Very low	32.2	Very low	120 Å²	120	112 Å²	112	73%	0.727	61%	0.606	S	S	*	*			cis	-134.9	164.1	32.3	-176.5	0	0	0	0	112.6	V317 S318	V317-V1829 WeakPolarHBondContact O-CA 3.14Å; S318-V1829 WeakPolarHBondContact O-CG1 3.34Å
1830	K	35.8	Very low	32.1	Very low	55 Å²	55	111.7 Å²	111.7	24%	0.239	60%	0.6	C	S	.	*			trans	-140.1	166.4	-167	162.9	-110.5	-128.7	-173.3	0	110.7	S318 Q319 S468 Q1832 Q1833	S318-K1830 CarbonylContact C-O 3.07Å; S318-K1830 VanDerWaalsContact O-O 3.07Å; S318-K1830 PolarHBondContact OG-NZ 2.76Å; Q319-K1830 PolarHBondContact N-O 3.26Å; S468-K1830 PolarHBondContact OG-NZ 3.44Å; K1830-Q1832 WeakPolarHBondContact CD-O 3.4Å; K1830-Q1832 WeakPolarHBondContact CE-O 3.35Å; K1830-Q1832 PolarHBondContact NZ-O 3.46Å; K1830-Q1833 PolarHBondContact NZ-O 3.23Å
1831	P	38.7	Very low	32.3	Very low	84 Å²	84	111.6 Å²	111.6	55%	0.545	60%	0.6	S	S	.	*				-153.7	113.9	116.7	33.6	-13.8	0	0	0	118.7	Q319	Q319-P1831 HydrophobicContact CB-CB 4.22Å; Q319-P1831 HydrophobicContact CG-CB 3.42Å; Q319-P1831 VanDerWaalsContact CG-CB 3.42Å
1832	Q	30.1	Very low	32	Very low	118 Å²	118	108.1 Å²	108.1	55%	0.551	59%	0.585	S	S	*	*			trans	-160.9	-172.2	133.9	-132.1	-174.4	14.3	0	0	108.2	S468 L470 K1830	S468-Q1832 PolarHBondContact OG-O 2.99Å; L470-Q1832 HydrophobicContact CD1-CG 3.83Å; L470-Q1832 HydrophobicContact CG-CG 4.43Å; K1830-Q1832 WeakPolarHBondContact CD-O 3.4Å; K1830-Q1832 WeakPolarHBondContact CE-O 3.35Å; K1830-Q1832 PolarHBondContact NZ-O 3.46Å
1833	Q	36.2	Very low	32.1	Very low	110 Å²	110	105.1 Å²	105.1	51%	0.514	58%	0.576	S	S	.	*			trans	65.4	132.9	170.1	-66.3	-163.3	-64.5	0	0	118.7	S468 K1830	S468-Q1833 WeakPolarHBondContact CB-O 3.26Å; S468-Q1833 PolarHBondContact OG-O 2.86Å; K1830-Q1833 PolarHBondContact NZ-O 3.23Å
1834	Q	39.1	Very low	32.3	Very low	112 Å²	112	104.6 Å²	104.6	52%	0.523	57%	0.57	S	S	.	*			cis	-166.7	164.2	-18	-138.9	160.7	-16.3	0	0	108.5	L470	L470-Q1834 HydrophobicContact CB-CG 3.82Å; L470-Q1834 HydrophobicContact CD1-CG 4.11Å
1835	Q	31.8	Very low	32.3	Very low	108 Å²	108	106.3 Å²	106.3	51%	0.505	58%	0.579	S	S	.	*			trans	-52.3	140.5	162.8	-91.8	168.9	-27.3	0	0	113.1	L470 G471	L470-Q1835 WeakPolarHBondContact O-CB 3.28Å; L470-Q1835 WeakPolarHBondContact O-CG 2.95Å; L470-Q1835 PolarHBondContact O-N 2.99Å; L470-Q1835 PolarHBondContact O-OE1 3.4Å; G471-Q1835 PolarHBondContact O-OE1 2.87Å
1836	L	30.7	Very low	32.3	Very low	88 Å²	88	108.8 Å²	108.8	46%	0.461	59%	0.59	S	S	.	*			trans	75.1	136	144.8	-81.8	40	0	0	0	119	Q1838	L1836-Q1838 HydrophobicContact CD1-CB 4.07Å; L1836-Q1838 WeakPolarHBondContact CD1-O 3.07Å; L1836-Q1838 VanDerWaalsContact CG-C 3.45Å; L1836-Q1838 VanDerWaalsContact CG-O 3.26Å; L1836-Q1838 WeakPolarHBondContact CG-O 3.45Å
1837	L	25	Very low	32.1	Very low	176 Å²	176	109.8 Å²	109.8	92%	0.921	61%	0.606	S	S	*	*	S	Bend	cis	-2.1	105.7	-11.7	-77.9	160.2	0	0	0	119.2
1838	Q	29.2	Very low	32	Very low	171 Å²	171	112 Å²	112	80%	0.799	62%	0.616	S	S	*	*	S	Bend	trans	137	65.9	169.8	-82	-173.6	-38.6	0	0	112.9	L1836	L1836-Q1838 HydrophobicContact CD1-CB 4.07Å; L1836-Q1838 WeakPolarHBondContact CD1-O 3.07Å; L1836-Q1838 VanDerWaalsContact CG-C 3.45Å; L1836-Q1838 VanDerWaalsContact CG-O 3.26Å; L1836-Q1838 WeakPolarHBondContact CG-O 3.45Å
1839	V	25.3	Very low	32.1	Very low	127 Å²	127	113.7 Å²	113.7	77%	0.77	64%	0.636	S	S	*	*			trans	63.5	97.4	161.4	-171.7	0	0	0	0	117.5
1840	T	27.8	Very low	32	Very low	93 Å²	93	116 Å²	116	57%	0.571	64%	0.641	S	S	*	*			trans	60.1	132.6	143	-29.8	0	0	0	0	119.4
1841	S	32.6	Very low	31.7	Very low	89 Å²	89	120.6 Å²	120.6	62%	0.622	66%	0.663	S	S	*	*				141.7	155.9	105.5	59.3	0	0	0	0	106.6
1842	I	25.9	Very low	31.4	Very low	103 Å²	103	123.4 Å²	123.4	53%	0.528	67%	0.673	S	S	.	*			cis	69.1	68.3	9.5	-43.3	-174	0	0	0	114.8	K780	K780-I1842 HydrophobicContact CD-CD1 3.48Å; K780-I1842 VanDerWaalsContact CD-CD1 3.48Å
1843	S	31.4	Very low	31.5	Very low	67 Å²	67	123.4 Å²	123.4	47%	0.469	68%	0.676	S	S	.	*			trans	-58.1	162.8	152	-34.4	0	0	0	0	111.4
1844	P	36.7	Very low	31.6	Very low	94 Å²	94	125.1 Å²	125.1	61%	0.61	69%	0.688	S	S	*	*				-136.3	168.3	-54.5	38.3	-24.6	0	0	0	112
1845	L	30.9	Very low	31.3	Very low	174 Å²	174	124 Å²	124	91%	0.911	69%	0.686	S	S	*	*				-171.2	162.8	128.6	-102.2	164	0	0	0	110.2
1846	I	32.1	Very low	31.2	Very low	150 Å²	150	122.2 Å²	122.2	77%	0.769	69%	0.685	S	S	*	*			trans	-114.4	124.9	-156.4	-64.1	160.8	0	0	0	111.5
1847	S	30.3	Very low	31.2	Very low	115 Å²	115	122.7 Å²	122.7	80%	0.804	69%	0.693	S	S	*	*				173.1	167.8	126.1	-97	0	0	0	0	113.9
1848	T	34.5	Very low	31.7	Very low	135 Å²	135	119 Å²	119	83%	0.828	68%	0.682	S	S	*	*			trans	-99.5	179.7	-177.8	57.6	0	0	0	0	111
1849	S	35.5	Very low	31.7	Very low	98 Å²	98	117.6 Å²	117.6	69%	0.685	68%	0.68	S	S	*	*			cis	-165.5	166.8	14.8	-152.4	0	0	0	0	114
1850	M	31.7	Very low	32.2	Very low	170 Å²	170	114.7 Å²	114.7	84%	0.837	66%	0.66	S	S	*	*			trans	69	153.7	155.1	-59.7	-139.3	-70.1	0	0	121.4
1851	H	30.7	Very low	32.3	Very low	150 Å²	150	118.7 Å²	118.7	69%	0.694	68%	0.678	S	S	*	*			cis	-169.2	178.4	-30.6	-160.9	-108.1	0	0	0	110.7
1852	L	32.7	Very low	32.3	Very low	144 Å²	144	116.4 Å²	116.4	75%	0.754	66%	0.659	S	S	*	*			trans	79.3	146.5	166.1	-58.4	173.3	0	0	0	119.2
1853	N	30.6	Very low	32.5	Very low	117 Å²	117	118.8 Å²	118.8	63%	0.626	67%	0.671	S	S	*	*			cis	-161	-171.3	-32.2	-141.1	27.4	0	0	0	110.7
1854	L	40.1	Very low	32.4	Very low	147 Å²	147	120.7 Å²	120.7	77%	0.77	67%	0.672	S	S	*	*			trans	89.5	132.6	-166.2	-74.5	63.1	0	0	0	111.2
1855	L	32.5	Very low	31.8	Very low	88 Å²	88	123.8 Å²	123.8	46%	0.461	68%	0.684	S	S	.	*			cis	74.7	137.6	34.6	-53.2	168.3	0	0	0	112.4	I1862	L1855-I1862 HydrophobicContact CD2-CB 4.48Å; L1855-I1862 HydrophobicContact CD2-CD1 3.76Å; L1855-I1862 HydrophobicContact CD2-CG1 3.67Å; L1855-I1862 HydrophobicContact CD2-CG2 3.96Å
1856	S	29.8	Very low	31.8	Very low	71 Å²	71	122.7 Å²	122.7	50%	0.497	68%	0.677	S	S	.	*			cis	-163.6	160.4	-11.2	-96.3	0	0	0	0	108.9
1857	P	30.9	Very low	31.9	Very low	97 Å²	97	118.8 Å²	118.8	63%	0.63	66%	0.663	S	S	*	*			cis	-83.8	-145.1	-16.4	39.4	-36.9	0	0	0	109
1858	S	34	Very low	31.6	Very low	98 Å²	98	119.4 Å²	119.4	69%	0.685	66%	0.662	S	S	*	*	S	Bend	cis	-156.8	147.3	0.4	49.8	0	0	0	0	109.8	N1860	S1858-N1860 WeakPolarHBondContact CA-OD1 3.28Å
1859	N	29	Very low	31.5	Very low	143 Å²	143	116 Å²	116	77%	0.765	65%	0.648	S	S	*	*	S	Bend	cis	-149.6	129.5	-8.1	-124.8	63.4	0	0	0	110.7
1860	N	36.3	Very low	31.5	Very low	65 Å²	65	116.5 Å²	116.5	35%	0.348	64%	0.643	S	S	.	*			cis	-162.6	113.9	-24.7	-118.3	18.3	0	0	0	107.5	S1858 I1862	S1858-N1860 WeakPolarHBondContact CA-OD1 3.28Å; N1860-I1862 HydrophobicContact CB-CB 4.25Å; N1860-I1862 WeakPolarHBondContact CB-O 3.35Å; N1860-I1862 PolarHBondContact ND2-O 3.14Å; N1860-I1862 PolarHBondContact O-N 3.3Å; N1860-I1862 WeakPolarHBondContact OD1-CD1 3.48Å
1861	N	30.3	Very low	31.5	Very low	177 Å²	177	114.9 Å²	114.9	95%	0.947	64%	0.637	S	S	*	*	S	Bend	trans	-90.3	51.8	156	-104.3	18.5	0	0	0	108.4
1862	I	32.8	Very low	31.7	Very low	42 Å²	42	115.6 Å²	115.6	22%	0.215	64%	0.644	C	S	.	*			trans	-154	83	-171.5	-52.8	154.7	0	0	0	102.7	L1855 N1860 E1864	L1855-I1862 HydrophobicContact CD2-CB 4.48Å; L1855-I1862 HydrophobicContact CD2-CD1 3.76Å; L1855-I1862 HydrophobicContact CD2-CG1 3.67Å; L1855-I1862 HydrophobicContact CD2-CG2 3.96Å; N1860-I1862 HydrophobicContact CB-CB 4.25Å; N1860-I1862 WeakPolarHBondContact CB-O 3.35Å; N1860-I1862 PolarHBondContact ND2-O 3.14Å; N1860-I1862 PolarHBondContact O-N 3.3Å; N1860-I1862 WeakPolarHBondContact OD1-CD1 3.48Å; I1862-E1864 HydrophobicContact CG2-CG 4.47Å
1863	I	29.3	Very low	31.7	Very low	152 Å²	152	112 Å²	112	78%	0.779	64%	0.635	S	S	*	*				-120.5	135.4	72.4	-67.5	169.5	0	0	0	108.9
1864	E	28.8	Very low	31.8	Very low	107 Å²	107	114.5 Å²	114.5	50%	0.5	64%	0.643	S	S	.	*			cis	68.6	41.8	35.5	-56.4	-168.8	150.3	0	0	115.8	I1862 I1866	I1862-E1864 HydrophobicContact CG2-CG 4.47Å; E1864-I1866 CarbonylContact O-C 3.51Å; E1864-I1866 WeakPolarHBondContact O-CA 3.1Å; E1864-I1866 PolarHBondContact O-N 2.92Å
1865	N	25.7	Very low	31.5	Very low	160 Å²	160	112.2 Å²	112.2	86%	0.856	64%	0.635	S	S	*	*	S	Bend	trans	-67.3	95.5	130.1	-78.4	-4.8	0	0	0	104
1866	I	30.5	Very low	31.8	Very low	150 Å²	150	114.5 Å²	114.5	77%	0.769	64%	0.644	S	S	*	*	S	Bend	cis	-145.1	151.6	34	-70.9	133.6	0	0	0	107.7	E1864	E1864-I1866 CarbonylContact O-C 3.51Å; E1864-I1866 WeakPolarHBondContact O-CA 3.1Å; E1864-I1866 PolarHBondContact O-N 2.92Å
1867	S	34	Very low	31.9	Very low	68 Å²	68	119 Å²	119	48%	0.476	65%	0.65	S	S	.	*			cis	-149.3	144.5	10.1	-147.8	0	0	0	0	112.9
1868	T	24.5	Very low	32.1	Very low	128 Å²	128	119.7 Å²	119.7	79%	0.785	66%	0.657	S	S	*	*			trans	178	153.4	144	20.3	0	0	0	0	106.6
1869	A	32.3	Very low	31.9	Very low	64 Å²	64	119.8 Å²	119.8	53%	0.529	65%	0.65	S	S	.	*	S	Bend	cis	-90.2	134.7	3.6	0	0	0	0	0	113.3
1870	D	35.2	Very low	32	Very low	108 Å²	108	121 Å²	121	58%	0.578	65%	0.648	S	S	*	*				63.5	116.1	124.7	-50	-13.2	0	0	0	118.8
1871	L	31.2	Very low	31.7	Very low	137 Å²	137	125.5 Å²	125.5	72%	0.717	67%	0.668	S	S	*	*				86.5	155.1	51.4	-73.9	170.8	0	0	0	112.9
1872	I	35.2	Very low	31.8	Very low	165 Å²	165	123 Å²	123	85%	0.846	66%	0.663	S	S	*	*			trans	71.4	123.9	174.4	-59.9	159.5	0	0	0	112.1
1873	A	33.6	Very low	31.8	Very low	68 Å²	68	127.4 Å²	127.4	56%	0.562	70%	0.695	S	S	*	*			cis	-155.6	152.9	-7.4	0	0	0	0	0	107.2
1874	E	32.2	Very low	31.9	Very low	170 Å²	170	123.2 Å²	123.2	79%	0.794	69%	0.69	S	S	*	*				49	-179.9	86.8	-36	-178.3	-175.7	0	0	114.4
1875	T	34.3	Very low	32	Very low	99 Å²	99	125.6 Å²	125.6	61%	0.607	71%	0.706	S	S	*	*			cis	-120.9	-156.6	-15.5	-29.8	0	0	0	0	107.2
1876	E	37.7	Very low	32.4	Very low	136 Å²	136	125.1 Å²	125.1	64%	0.636	70%	0.702	S	S	*	*				178.1	160.7	60.2	-80.9	-163.8	-172.1	0	0	107
1877	R	32.3	Very low	32.5	Very low	166 Å²	166	121.3 Å²	121.3	63%	0.626	70%	0.699	S	S	*	*			cis	-160.9	156.4	-18.2	-115.1	178.8	-166.6	125.1	16.8	107.9
1878	S	34.7	Very low	32.5	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	72%	0.721	S	S	*	*				176.6	139.1	123.6	39.9	0	0	0	0	111.9
1879	D	30.5	Very low	33.2	Very low	100 Å²	100	128 Å²	128	54%	0.535	71%	0.712	S	S	.	*			cis	-167.7	161.8	-20.6	-108.6	-24.5	0	0	0	110.7
1880	F	30.8	Very low	33.1	Very low	167 Å²	167	132.4 Å²	132.4	73%	0.732	73%	0.726	S	S	*	*			trans	57.2	146.3	155.5	-66.9	-51.2	0	0	0	120.8
1881	E	30.2	Very low	32.6	Very low	161 Å²	161	130.8 Å²	130.8	75%	0.752	73%	0.728	S	S	*	*			cis	-165.9	138.4	-18.1	-169.1	162.9	-131.6	0	0	110.5
1882	C	32.3	Very low	32.6	Very low	125 Å²	125	131.4 Å²	131.4	85%	0.845	73%	0.731	S	S	*	*			trans	-174.2	154.9	142.3	-103.4	0	0	0	0	113
1883	C	32.6	Very low	32.4	Very low	133 Å²	133	130.6 Å²	130.6	90%	0.899	73%	0.728	S	S	*	*			trans	-56.1	159.7	178.5	-46	0	0	0	0	113.6
1884	G	31	Very low	32.2	Very low	64 Å²	64	138.2 Å²	138.2	66%	0.66	74%	0.742	S	S	*	*			cis	144.1	167.4	6.3	0	0	0	0	0	110.3
1885	D	30.9	Very low	32.6	Very low	158 Å²	158	134.4 Å²	134.4	85%	0.845	73%	0.732	S	S	*	*			trans	63.8	148.8	172.4	-71.4	-19.7	0	0	0	118
1886	I	34.3	Very low	32.3	Very low	149 Å²	149	137.3 Å²	137.3	76%	0.764	74%	0.738	S	S	*	*			cis	-151.2	140.4	-1.1	-113.7	155.7	0	0	0	110.1
1887	G	33.4	Very low	31.9	Very low	70 Å²	70	136.3 Å²	136.3	72%	0.722	74%	0.742	S	S	*	*			trans	70.2	166.5	156.5	0	0	0	0	0	118.8
1888	R	34.1	Very low	31.6	Very low	246 Å²	246	133.7 Å²	133.7	93%	0.928	75%	0.749	S	S	*	*			cis	-150.8	164.3	-6.5	-104.7	-158.2	171.7	-177.2	-1.9	109.8
1889	P	38.1	Very low	31.5	Very low	92 Å²	92	135 Å²	135	60%	0.597	75%	0.747	S	S	*	*			trans	-140.3	-167.7	-131.6	44.4	-26.5	0	0	0	116.7
1890	N	30.8	Very low	31.3	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	76%	0.757	S	S	*	*			trans	73.6	157.8	150.5	-68.9	-9	0	0	0	119.6
1891	A	25.8	Very low	31.3	Very low	75 Å²	75	137 Å²	137	62%	0.62	77%	0.765	S	S	*	*			cis	-175.6	-177.8	-27	0	0	0	0	0	110.3
1892	L	30.6	Very low	31.2	Very low	149 Å²	149	137.1 Å²	137.1	78%	0.78	77%	0.765	S	S	*	*			trans	84.7	135.6	149	-73	154.4	0	0	0	121.8
1893	L	31.3	Very low	31	Very low	148 Å²	148	137.4 Å²	137.4	78%	0.775	76%	0.758	S	S	*	*			trans	66.6	129.9	147.7	-62.9	165.7	0	0	0	118.6
1894	R	28.2	Very low	30.7	Very low	228 Å²	228	137.9 Å²	137.9	86%	0.86	75%	0.751	S	S	*	*			cis	59	148.8	7.4	-92.2	-165.6	176.5	-173.4	0.6	116.9
1895	P	40.4	Very low	30.5	Very low	91 Å²	91	140 Å²	140	59%	0.591	75%	0.752	S	S	*	*			cis	-132.9	-143.6	-32.2	38.7	-18.9	0	0	0	111.4
1896	H	29.3	Very low	30.3	Very low	159 Å²	159	138.3 Å²	138.3	74%	0.736	75%	0.747	S	S	*	*			trans	79.4	129	177.4	-55.7	-65.6	0	0	0	115.7
1897	T	29	Very low	29.8	Very low	116 Å²	116	139 Å²	139	71%	0.712	75%	0.752	S	S	*	*			cis	100.8	139.8	26.2	63.6	0	0	0	0	114.3
1898	S	26.1	Very low	29.5	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	76%	0.755	S	S	*	*			trans	72.7	149.9	-173.4	-40.1	0	0	0	0	114.3
1899	D	31.1	Very low	29.2	Very low	139 Å²	139	134.2 Å²	134.2	74%	0.743	75%	0.745	S	S	*	*			cis	-148.4	-178.7	8.2	-136.4	-45	0	0	0	113.9
1900	N	27.4	Very low	29	Very low	136 Å²	136	138.4 Å²	138.4	73%	0.727	76%	0.762	S	S	*	*			trans	-75.8	152.2	-178.9	-61.8	-97.2	0	0	0	113.7
1901	L	30.8	Very low	28.7	Very low	173 Å²	173	134.9 Å²	134.9	91%	0.906	76%	0.755	S	S	*	*				-162.5	175.8	115	-132	78.4	0	0	0	113.1
1902	Q	27.9	Very low	28.7	Very low	164 Å²	164	139.7 Å²	139.7	77%	0.766	76%	0.762	S	S	*	*			trans	-112.9	178.4	-169.4	-62.2	172.2	-20.3	0	0	113
1903	N	27.8	Very low	28.4	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	76%	0.759	S	S	*	*			trans	84.4	98	154.5	-62.4	-29.3	0	0	0	120.4
1904	L	25.5	Very low	28.2	Very low	144 Å²	144	137.3 Å²	137.3	75%	0.754	75%	0.753	S	S	*	*				50.1	119.8	105.1	-101.3	78.9	0	0	0	120.5
1905	T	27.1	Very low	28	Very low	109 Å²	109	135.6 Å²	135.6	67%	0.669	75%	0.747	S	S	*	*			trans	74.2	129.7	130.9	50.6	0	0	0	0	122.9
1906	T	26.8	Very low	27.5	Very low	121 Å²	121	134.8 Å²	134.8	74%	0.742	74%	0.743	S	S	*	*			trans	88.9	133.2	132.9	45.5	0	0	0	0	122.4
1907	L	23.5	Very low	27.9	Very low	165 Å²	165	132.7 Å²	132.7	86%	0.864	75%	0.747	S	S	*	*			trans	81.6	143.5	149.5	-70.9	159.2	0	0	0	119.5
1908	S	27	Very low	28.5	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	75%	0.752	S	S	*	*			trans	70	126.7	174.8	-157.4	0	0	0	0	117.5
1909	S	28	Very low	28.4	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	74%	0.741	S	S	*	*			cis	-155.7	146	-17	-87.5	0	0	0	0	109.6	A1911	S1909-A1911 PolarHBondContact O-N 3.05Å
1910	N	34.9	Very low	28.2	Very low	179 Å²	179	129.8 Å²	129.8	96%	0.957	74%	0.739	S	S	*	*			trans	-76.2	109	166.6	-75.4	-36.9	0	0	0	109.8
1911	A	25.1	Very low	28.2	Very low	82 Å²	82	127.8 Å²	127.8	68%	0.678	73%	0.728	S	S	*	*			trans	-150.9	127.4	168.9	0	0	0	0	0	112.5	S1909	S1909-A1911 PolarHBondContact O-N 3.05Å
1912	F	24.9	Very low	27.9	Very low	176 Å²	176	129 Å²	129	77%	0.772	72%	0.722	S	S	*	*			trans	35	106	150	-69.7	-89.1	0	0	0	120.6
1913	Q	24.9	Very low	28.3	Very low	153 Å²	153	127 Å²	127	72%	0.715	72%	0.721	S	S	*	*				39.9	126.2	108.8	-59.8	175.2	1.7	0	0	118.9
1914	S	25.7	Very low	28.7	Very low	94 Å²	94	125.8 Å²	125.8	66%	0.657	72%	0.72	S	S	*	*			trans	66.1	140.8	148.1	52.9	0	0	0	0	119.2
1915	W	25.1	Very low	29.3	Very low	192 Å²	192	127.6 Å²	127.6	73%	0.727	72%	0.722	S	S	*	*			cis	-161.1	172.4	-4.8	-105.7	-10.9	0	0	0	110.5	L1921	W1915-L1921 HydrophobicContact CE3-CD2 4.22Å; W1915-L1921 HydrophobicContact CH2-CD2 4.29Å; W1915-L1921 HydrophobicContact CZ3-CD2 3.85Å
1916	S	30.6	Very low	29.8	Very low	73 Å²	73	127.2 Å²	127.2	51%	0.51	72%	0.724	S	S	.	*			trans	65.2	73.1	143.6	56.9	0	0	0	0	120.8	N1919	S1916-N1919 WeakPolarHBondContact CA-OD1 3.4Å; S1916-N1919 WeakPolarHBondContact CB-OD1 3.23Å
1917	S	37.2	Very low	30	Very low	116 Å²	116	129.3 Å²	129.3	81%	0.811	73%	0.73	S	S	*	*	S	Bend		-161	126.5	116.3	12.6	0	0	0	0	111.1
1918	S	40.5	Very low	30.4	Very low	117 Å²	117	126.1 Å²	126.1	82%	0.818	72%	0.721	S	S	*	*	S	Bend	cis	-139.5	136.6	3.3	-75.3	0	0	0	0	114.3
1919	N	24.1	Very low	30.5	Very low	102 Å²	102	128 Å²	128	55%	0.545	72%	0.722	S	S	.	*			cis	-161.6	101.2	-29.2	-126.5	-19.9	0	0	0	112	S1916	S1916-N1919 WeakPolarHBondContact CA-OD1 3.4Å; S1916-N1919 WeakPolarHBondContact CB-OD1 3.23Å
1920	A	27.2	Very low	30.7	Very low	85 Å²	85	129.1 Å²	129.1	70%	0.702	73%	0.725	S	S	*	*			trans	-158.7	129.9	167.5	0	0	0	0	0	107
1921	L	27.8	Very low	31.2	Very low	94 Å²	94	125.5 Å²	125.5	49%	0.492	71%	0.711	S	S	.	*			cis	62.2	120.1	32.6	-61.4	170.4	0	0	0	114.3	W1915	W1915-L1921 HydrophobicContact CE3-CD2 4.22Å; W1915-L1921 HydrophobicContact CH2-CD2 4.29Å; W1915-L1921 HydrophobicContact CZ3-CD2 3.85Å
1922	Y	24.4	Very low	31.3	Very low	199 Å²	199	128.8 Å²	128.8	78%	0.78	72%	0.716	S	S	*	*			trans	64.5	117.7	162.3	-70.6	-67.6	0	0	0	119.7
1923	T	36.3	Very low	31.3	Very low	122 Å²	122	126.9 Å²	126.9	75%	0.748	71%	0.713	S	S	*	*				-54.1	131.3	125.5	33.1	0	0	0	0	109.1
1924	P	36.1	Very low	31.3	Very low	103 Å²	103	130.3 Å²	130.3	67%	0.669	72%	0.72	S	S	*	*				-109.3	109.2	105.3	29	-33.8	0	0	0	111.6
1925	F	37.4	Very low	31.4	Very low	182 Å²	182	133.4 Å²	133.4	80%	0.798	72%	0.723	S	S	*	*	S	Bend	trans	46.6	126.2	149.7	-50.5	-82.5	0	0	0	119.6
1926	S	38.5	Very low	31.4	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	73%	0.725	S	S	*	*			cis	-163.6	161.4	2.4	-90.7	0	0	0	0	113.2
1927	L	30.4	Very low	32	Very low	166 Å²	166	133.7 Å²	133.7	87%	0.869	74%	0.737	S	S	*	*			trans	-44.7	162.7	163.8	-61.9	153	0	0	0	114.4
1928	S	31.9	Very low	31.6	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	73%	0.733	S	S	*	*			cis	-168.1	142.1	-7	42	0	0	0	0	107.6
1929	N	29.9	Very low	30.9	Very low	153 Å²	153	136.3 Å²	136.3	82%	0.818	73%	0.729	S	S	*	*				58.4	139.8	64.6	-80.4	5.1	0	0	0	115.8
1930	V	31.7	Very low	31.5	Very low	125 Å²	125	140.5 Å²	140.5	76%	0.758	74%	0.743	S	S	*	*			cis	-169.5	157.3	-24.4	114	0	0	0	0	107.9
1931	P	45.3	Very low	31.5	Very low	103 Å²	103	141.4 Å²	141.4	67%	0.669	74%	0.744	S	S	*	*			trans	-95	167.6	-176.7	37.9	-35.1	0	0	0	114.4
1932	I	27.9	Very low	31.7	Very low	151 Å²	151	139.9 Å²	139.9	77%	0.774	75%	0.751	S	S	*	*			trans	160.4	140.1	141.4	-86.2	157.7	0	0	0	112.6
1933	N	24.2	Very low	31.8	Very low	135 Å²	135	135.3 Å²	135.3	72%	0.722	74%	0.74	S	S	*	*			trans	66.1	130	159.8	-84.1	-32.1	0	0	0	123.9
1934	R	25.4	Very low	31.4	Very low	225 Å²	225	133.4 Å²	133.4	85%	0.849	73%	0.728	S	S	*	*			trans	73.2	162.2	135	-73.2	-173.6	179.1	-160.9	-1.3	121.6
1935	H	26.3	Very low	31	Very low	159 Å²	159	139.1 Å²	139.1	74%	0.736	74%	0.737	S	S	*	*			trans	-33.3	160.1	162.6	-73	-146.7	0	0	0	114.8
1936	E	25.9	Very low	30.8	Very low	165 Å²	165	135.6 Å²	135.6	77%	0.771	73%	0.732	S	S	*	*			cis	-149.9	166.5	25.8	-146.6	134.2	-115.7	0	0	113.6
1937	S	42.9	Very low	30.6	Very low	107 Å²	107	133.4 Å²	133.4	75%	0.748	71%	0.714	S	S	*	*			trans	-86.5	115.4	178.7	56	0	0	0	0	112.4
1938	N	28.6	Very low	30.3	Very low	138 Å²	138	129.2 Å²	129.2	74%	0.738	70%	0.704	S	S	*	*			trans	-162.4	165.8	138.8	-122.4	-34.8	0	0	0	113.5
1939	M	26.1	Very low	30.1	Very low	149 Å²	149	130.5 Å²	130.5	73%	0.734	70%	0.703	S	S	*	*			trans	34.1	104.6	150	-62.1	164.9	-168.6	0	0	117.3
1940	F	36.4	Very low	30.6	Very low	191 Å²	191	130.8 Å²	130.8	84%	0.838	70%	0.699	S	S	*	*				-148.6	177.2	90.4	-126.5	-108.6	0	0	0	109.7	G1942	F1940-G1942 PolarHBondContact O-N 2.85Å
1941	S	27.9	Very low	31.2	Very low	103 Å²	103	129.3 Å²	129.3	72%	0.72	70%	0.695	S	S	*	*			trans	-50.3	131.1	154.5	49.9	0	0	0	0	108.5
1942	G	31.5	Very low	30.8	Very low	62 Å²	62	131.7 Å²	131.7	64%	0.639	70%	0.699	S	S	*	*			cis	93.8	152.3	36.7	0	0	0	0	0	108.8	F1940	F1940-G1942 PolarHBondContact O-N 2.85Å
1943	N	27.2	Very low	31.1	Very low	103 Å²	103	130 Å²	130	55%	0.551	69%	0.691	S	S	*	*			trans	68.5	138.3	178.4	-77.4	11.6	0	0	0	118.7	W1945 M1954	N1943-W1945 PolarHBondContact O-N 2.82Å; N1943-M1954 WeakPolarHBondContact ND2-CE 3.39Å; N1943-M1954 WeakPolarHBondContact ND2-CG 2.89Å; N1943-M1954 PolarHBondContact ND2-SD 3.45Å
1944	V	27	Very low	31.4	Very low	83 Å²	83	129 Å²	129	50%	0.503	68%	0.683	S	S	.	*				65	43.9	129.7	-173.2	0	0	0	0	116.9	T1947	V1944-T1947 HydrophobicContact CG1-CG2 3.73Å
1945	W	28.9	Very low	31.6	Very low	223 Å²	223	124 Å²	124	85%	0.845	67%	0.674	S	S	*	*	S	Bend	trans	57	-129	134	-42.9	14.9	0	0	0	115.9	N1943 T1947	N1943-W1945 PolarHBondContact O-N 2.82Å; W1945-T1947 VanDerWaalsContact CB-N 3.31Å; W1945-T1947 WeakPolarHBondContact CB-OG1 3.08Å; W1945-T1947 VanDerWaalsContact CE2-OG1 3.26Å
1946	P	33.6	Very low	31.6	Very low	108 Å²	108	122.7 Å²	122.7	70%	0.701	67%	0.671	S	S	*	*			cis	-93.3	139.6	48.4	33.1	-38.3	0	0	0	115.1	A1948	P1946-A1948 HydrophobicContact CB-CB 4.12Å
1947	T	34.1	Very low	31.8	Very low	54 Å²	54	121.3 Å²	121.3	33%	0.331	67%	0.669	S	S	.	*			cis	43.4	58.9	19	-45	0	0	0	0	111.9	V1944 W1945	V1944-T1947 HydrophobicContact CG1-CG2 3.73Å; W1945-T1947 VanDerWaalsContact CB-N 3.31Å; W1945-T1947 WeakPolarHBondContact CB-OG1 3.08Å; W1945-T1947 VanDerWaalsContact CE2-OG1 3.26Å
1948	A	24.3	Very low	30.9	Very low	78 Å²	78	121.6 Å²	121.6	65%	0.645	67%	0.669	S	S	*	*			trans	-120.6	130.3	147.6	0	0	0	0	0	105.5	P1946	P1946-A1948 HydrophobicContact CB-CB 4.12Å
1949	D	26.2	Very low	30.9	Very low	126 Å²	126	123.4 Å²	123.4	67%	0.674	68%	0.675	S	S	*	*	S	Bend	cis	-167.9	141.6	2.1	-121.5	10.9	0	0	0	107
1950	Q	40.6	Very low	30.9	Very low	159 Å²	159	122.7 Å²	122.7	74%	0.743	68%	0.68	S	S	*	*			cis	-143.3	166.2	-6	-63.6	169.1	-0.2	0	0	105.6
1951	S	44.5	Very low	30.3	Very low	94 Å²	94	116.4 Å²	116.4	66%	0.657	67%	0.669	S	S	*	*			cis	-150	149.3	13.4	59.2	0	0	0	0	109.1
1952	M	37.6	Very low	30	Very low	153 Å²	153	116.9 Å²	116.9	75%	0.754	67%	0.672	S	S	*	*				50.1	139.1	96	-41.2	-149.4	-40.4	0	0	115.3
1953	D	34.6	Very low	29.9	Very low	116 Å²	116	124.5 Å²	124.5	62%	0.62	68%	0.683	S	S	*	*			cis	-160.2	144.2	-0.7	-111	-19.2	0	0	0	108.5
1954	M	29.7	Very low	29.7	Very low	112 Å²	112	125.6 Å²	125.6	55%	0.552	69%	0.689	S	S	*	*				67.4	144	83.7	-82.6	-91.5	-77.8	0	0	117.9	N1943	N1943-M1954 WeakPolarHBondContact ND2-CE 3.39Å; N1943-M1954 WeakPolarHBondContact ND2-CG 2.89Å; N1943-M1954 PolarHBondContact ND2-SD 3.45Å
1955	N	30.4	Very low	30	Very low	122 Å²	122	127.8 Å²	127.8	65%	0.652	70%	0.703	S	S	*	*			trans	72.6	148.4	157.9	-74.9	-3.5	0	0	0	120.8
1956	I	26.7	Very low	29.7	Very low	131 Å²	131	123.4 Å²	123.4	67%	0.672	70%	0.696	S	S	*	*			cis	-164.6	179.5	-28.3	-138.4	173.6	0	0	0	109.8
1957	N	28.8	Very low	29.5	Very low	135 Å²	135	122.7 Å²	122.7	72%	0.722	69%	0.693	S	S	*	*			trans	72.3	134.6	178.1	-64.9	-33	0	0	0	115.2
1958	C	25.2	Very low	29.3	Very low	113 Å²	113	126.8 Å²	126.8	76%	0.764	71%	0.713	S	S	*	*			cis	90.2	142.4	34.7	-64.5	0	0	0	0	114.2
1959	M	28.1	Very low	29.5	Very low	176 Å²	176	131.1 Å²	131.1	87%	0.867	72%	0.72	S	S	*	*			trans	81.8	126.8	-178.4	-48.1	-159.6	92	0	0	117.5
1960	T	25.7	Very low	29.9	Very low	134 Å²	134	129.3 Å²	129.3	82%	0.822	72%	0.716	S	S	*	*			trans	6.9	140.4	146.2	56.7	0	0	0	0	120.9
1961	G	24.3	Very low	29.4	Very low	60 Å²	60	128.9 Å²	128.9	62%	0.619	71%	0.713	S	S	*	*			trans	117.1	95.4	130.5	0	0	0	0	0	118.4	Y1963	G1961-Y1963 PolarHBondContact O-N 3.22Å
1962	S	21.9	Very low	28.6	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	72%	0.716	S	S	*	*				33.4	82.6	126.5	-51.6	0	0	0	0	121.1
1963	Y	29.5	Very low	28.3	Very low	223 Å²	223	132.1 Å²	132.1	88%	0.875	71%	0.714	S	S	*	*			trans	-145.1	116.9	140.3	-65.1	-73.1	0	0	0	107	G1961	G1961-Y1963 PolarHBondContact O-N 3.22Å
1964	N	22.8	Very low	27.9	Very low	125 Å²	125	133 Å²	133	67%	0.668	72%	0.718	S	S	*	*			cis	76.5	72.3	20.2	-162.7	18.7	0	0	0	117	N1966	N1964-N1966 PolarHBondContact OD1-ND2 3.25Å
1965	T	32.7	Very low	28.1	Very low	130 Å²	130	135.3 Å²	135.3	80%	0.798	73%	0.728	S	S	*	*			trans	-154.3	126.6	155.8	18.6	0	0	0	0	105.7
1966	N	23.2	Very low	27.9	Very low	131 Å²	131	136.9 Å²	136.9	70%	0.701	74%	0.735	S	S	*	*			cis	56.7	131.2	29.8	-60.6	-51.9	0	0	0	112	N1964	N1964-N1966 PolarHBondContact OD1-ND2 3.25Å
1967	S	28.8	Very low	28.2	Very low	92 Å²	92	135.1 Å²	135.1	64%	0.643	74%	0.735	S	S	*	*			cis	-147.9	-175.7	16.1	57.1	0	0	0	0	109.3
1968	N	30.1	Very low	28.3	Very low	141 Å²	141	132.8 Å²	132.8	75%	0.754	73%	0.729	S	S	*	*			cis	-130.7	146.6	19.2	-57.3	-64.1	0	0	0	110.1
1969	Q	28.7	Very low	28.5	Very low	168 Å²	168	134.2 Å²	134.2	79%	0.785	73%	0.729	S	S	*	*				62.4	148.8	52.9	-87.1	-146.3	10.7	0	0	115.4
1970	P	34.1	Very low	28.8	Very low	89 Å²	89	132.1 Å²	132.1	58%	0.578	72%	0.72	S	S	*	*			cis	-122.2	-175.5	-35	35.6	-17.5	0	0	0	110
1971	H	30.6	Very low	29	Very low	150 Å²	150	133.4 Å²	133.4	69%	0.694	72%	0.721	S	S	*	*				-177.3	170.5	57.7	-114.7	-25.9	0	0	0	110.7
1972	F	28.6	Very low	29.4	Very low	161 Å²	161	135 Å²	135	71%	0.706	72%	0.723	S	S	*	*			trans	21.9	141.8	148.9	-65.2	-59.3	0	0	0	121.9
1973	Q	30.2	Very low	30.1	Very low	153 Å²	153	134.5 Å²	134.5	72%	0.715	72%	0.72	S	S	*	*			cis	-157.3	173.4	9.6	-155.1	148.6	-56.7	0	0	113.2
1974	N	26.2	Very low	30	Very low	134 Å²	134	129.9 Å²	129.9	72%	0.717	71%	0.714	S	S	*	*			trans	-51.3	145.2	168.5	-50.3	-74.1	0	0	0	114.4
1975	Q	33.8	Very low	30.4	Very low	161 Å²	161	129.8 Å²	129.8	75%	0.752	71%	0.713	S	S	*	*				-172.6	153.9	103.1	-93.8	168.7	76.2	0	0	108.8
1976	L	26.3	Very low	31.3	Very low	155 Å²	155	129.5 Å²	129.5	81%	0.812	71%	0.711	S	S	*	*			cis	66.7	152	45.1	-112.1	175.5	0	0	0	113.4
1977	S	32.4	Very low	32.7	Very low	95 Å²	95	130.2 Å²	130.2	66%	0.664	71%	0.71	S	S	*	*			trans	66	145.3	-178.7	78.6	0	0	0	0	116.6
1978	S	32	Very low	33.1	Very low	86 Å²	86	132 Å²	132	60%	0.601	71%	0.713	S	S	*	*			cis	-169.6	142	-19	47	0	0	0	0	112.6
1979	N	29.1	Very low	33.2	Very low	143 Å²	143	129 Å²	129	77%	0.765	70%	0.696	S	S	*	*			trans	59.3	175.6	138.1	-58	-12.1	0	0	0	120.2
1980	I	34.8	Very low	33.5	Very low	132 Å²	132	125.6 Å²	125.6	68%	0.677	69%	0.687	S	S	*	*			trans	69.1	92.9	166.1	-60.4	146	0	0	0	111.4
1981	L	29.7	Very low	33.5	Very low	160 Å²	160	127.4 Å²	127.4	84%	0.838	70%	0.697	S	S	*	*				53.8	165.4	55.6	-51.6	168	0	0	0	112.6
1982	S	33.1	Very low	34.1	Very low	95 Å²	95	125.8 Å²	125.8	66%	0.664	70%	0.7	S	S	*	*			trans	56.5	119.4	159.4	46	0	0	0	0	117.6
1983	S	36.2	Very low	34.3	Very low	101 Å²	101	123.3 Å²	123.3	71%	0.706	70%	0.702	S	S	*	*			cis	-154.3	152.9	14.3	-57.6	0	0	0	0	112.3
1984	V	27.5	Very low	34.5	Very low	125 Å²	125	122.5 Å²	122.5	76%	0.758	70%	0.702	S	S	*	*			trans	-67.6	162.4	148.8	178.5	0	0	0	0	108.1
1985	L	31.4	Very low	34.9	Very low	124 Å²	124	123 Å²	123	65%	0.649	71%	0.705	S	S	*	*	S	Bend	trans	81.3	140.7	-172.5	-59.4	97.2	0	0	0	114.8	H1987	L1985-H1987 CarbonylContact C-O 3.53Å; L1985-H1987 VanDerWaalsContact C-O 3.24Å; L1985-H1987 WeakPolarHBondContact CA-O 3.46Å; L1985-H1987 PolarHBondContact N-O 3.5Å
1986	T	51	Low	35	Very low	123 Å²	123	118.9 Å²	118.9	76%	0.755	71%	0.706	S	S	*	*	S	Bend	trans	71.1	31	175.7	69.2	0	0	0	0	120.5
1987	H	53.2	Low	35.3	Very low	146 Å²	146	120.9 Å²	120.9	68%	0.676	71%	0.713	S	S	*	*	S	Bend	cis	51.9	54	-21.7	-61.1	-79.7	0	0	0	120.3	L1985	L1985-H1987 CarbonylContact C-O 3.53Å; L1985-H1987 VanDerWaalsContact C-O 3.24Å; L1985-H1987 WeakPolarHBondContact CA-O 3.46Å; L1985-H1987 PolarHBondContact N-O 3.5Å
1988	N	36.1	Very low	35.4	Very low	131 Å²	131	122 Å²	122	70%	0.701	72%	0.716	S	S	*	*			trans	47.4	96.3	136	-57.7	-3.3	0	0	0	119.2
1989	N	32.2	Very low	35.6	Very low	77 Å²	77	126.7 Å²	126.7	41%	0.412	73%	0.726	S	S	.	*			trans	54.7	108.6	136	-65.5	-0.3	0	0	0	121.7	S509 V510 N511	S509-N1989 PolarHBondContact O-ND2 3.36Å; V510-N1989 WeakPolarHBondContact CG1-OD1 3.36Å; N511-N1989 PolarHBondContact N-OD1 3.15Å
1990	T	35.5	Very low	35.6	Very low	97 Å²	97	129.3 Å²	129.3	60%	0.595	73%	0.733	S	S	*	*				68.4	66.1	111	-40.1	0	0	0	0	119.9
1991	T	34.7	Very low	35.7	Very low	126 Å²	126	128.3 Å²	128.3	77%	0.773	74%	0.738	S	S	*	*				62	-175.2	117.1	65.4	0	0	0	0	118.4
1992	P	42.1	Very low	35.9	Very low	117 Å²	117	128.1 Å²	128.1	76%	0.76	74%	0.738	S	S	*	*				-137	-158	-102.4	42	-19.8	0	0	0	114.8
1993	S	33.3	Very low	35.8	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	75%	0.746	S	S	*	*			trans	78.8	143.2	174.1	-125.7	0	0	0	0	115.1
1994	L	34.9	Very low	35.9	Very low	137 Å²	137	131.1 Å²	131.1	72%	0.717	74%	0.744	S	S	*	*			cis	-141.7	153	8.4	-172	71.6	0	0	0	111
1995	D	33.3	Very low	36.5	Very low	144 Å²	144	132.9 Å²	132.9	77%	0.77	75%	0.748	S	S	*	*			trans	54.1	121.5	162.9	-66.5	-18.5	0	0	0	123.7
1996	G	36.2	Very low	36.8	Very low	75 Å²	75	133.3 Å²	133.3	77%	0.773	76%	0.756	S	S	*	*				111	82.1	110.2	0	0	0	0	0	117.5
1997	M	32.5	Very low	36.5	Very low	197 Å²	197	132 Å²	132	97%	0.97	75%	0.75	S	S	*	*			trans	-81.4	138.7	179.4	-70.3	-172	175.1	0	0	114.8
1998	T	35.5	Very low	35.7	Very low	117 Å²	117	132.7 Å²	132.7	72%	0.718	75%	0.746	S	S	*	*			trans	-62.5	167.9	161.4	63.9	0	0	0	0	111.4
1999	K	35.8	Very low	35.8	Very low	185 Å²	185	129.9 Å²	129.9	80%	0.804	73%	0.729	S	S	*	*			cis	-179.5	155.6	38.4	-143.6	159.3	-167.1	168.9	0	109.4
2000	Q	29.2	Very low	36.1	Very low	198 Å²	198	132.8 Å²	132.8	93%	0.925	74%	0.74	S	S	*	*			trans	-162.8	157.1	151.6	-119.3	176.6	37.8	0	0	114.1
2001	S	36.8	Very low	36.1	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	74%	0.742	S	S	*	*			trans	-174.6	155.4	179.5	55	0	0	0	0	109.6
2002	N	32.9	Very low	36	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	74%	0.74	S	S	*	*			cis	-177.6	139.5	-25.3	-172.6	9.1	0	0	0	105.1
2003	I	32.4	Very low	35.9	Very low	163 Å²	163	137.4 Å²	137.4	84%	0.836	74%	0.739	S	S	*	*			trans	-138.7	149.5	-174.4	-61.9	-175.8	0	0	0	113.1
2004	S	37.6	Very low	35.9	Very low	96 Å²	96	137.2 Å²	137.2	67%	0.671	74%	0.738	S	S	*	*			trans	-67.6	140.2	-168.6	-45.6	0	0	0	0	117
2005	I	39.2	Very low	35.8	Very low	162 Å²	162	140.7 Å²	140.7	83%	0.831	74%	0.743	S	S	*	*				88.8	154.5	94.8	-61.9	172.1	0	0	0	115.2
2006	T	38.8	Very low	35.8	Very low	133 Å²	133	141.2 Å²	141.2	82%	0.816	74%	0.741	S	S	*	*			trans	-89	169.7	-153.9	29	0	0	0	0	117.3
2007	P	44.7	Very low	35.5	Very low	97 Å²	97	144.7 Å²	144.7	63%	0.63	74%	0.741	S	S	*	*			trans	-126.5	-172.1	-134.8	46.7	-38	0	0	0	119.3
2008	R	36.9	Very low	35.6	Very low	159 Å²	159	139.8 Å²	139.8	60%	0.6	73%	0.727	S	S	*	*			trans	87.3	138.6	160.9	-80.6	-169	163.7	-159	-7	118.9
2009	Q	36.8	Very low	35.6	Very low	72 Å²	72	141.1 Å²	141.1	34%	0.336	73%	0.728	S	S	.	*			cis	-167.2	158.6	-14.4	-144.3	-178.5	61.6	0	0	114.4	Q2053 Q2054	Q2009-Q2053 PolarHBondContact NE2-O 3.21Å; Q2009-Q2053 VanDerWaalsContact NE2-O 3.16Å; Q2009-Q2054 HydrophobicContact CG-CB 4.45Å; Q2009-Q2054 HydrophobicContact CG-CG 4.03Å
2010	Q	38.4	Very low	35.5	Very low	138 Å²	138	139.4 Å²	139.4	65%	0.645	73%	0.727	S	S	*	*			trans	81.1	143.7	157.8	-60.1	-152.1	21.6	0	0	120.3
2011	H	35.7	Very low	35.7	Very low	138 Å²	138	135.5 Å²	135.5	64%	0.639	72%	0.716	S	S	*	*			cis	-167.2	168.4	-7.9	178	-141.2	0	0	0	113.3
2012	I	33.2	Very low	35.7	Very low	142 Å²	142	135.9 Å²	135.9	73%	0.728	72%	0.716	S	S	*	*			trans	80.5	134.6	167.4	-49.4	-174.2	0	0	0	118.7
2013	Q	39	Very low	35.6	Very low	157 Å²	157	133.3 Å²	133.3	73%	0.734	72%	0.717	S	S	*	*			cis	-168.3	171.2	-38.8	-126.7	-174.2	28.4	0	0	114.5
2014	S	35.1	Very low	35.7	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	71%	0.708	S	S	*	*			trans	84	164.1	173.9	84.1	0	0	0	0	117.4
2015	Y	32.8	Very low	35.5	Very low	209 Å²	209	137.2 Å²	137.2	82%	0.82	72%	0.715	S	S	*	*			cis	-141.4	-125.6	2.2	-138.8	-48.6	0	0	0	114.3
2016	Q	33	Very low	35.2	Very low	156 Å²	156	135.3 Å²	135.3	73%	0.729	71%	0.711	S	S	*	*			trans	-147.4	144.5	-165	-78.2	-172.8	3.2	0	0	112.9
2017	N	29.1	Very low	34.8	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	71%	0.705	S	S	*	*				70.3	139.2	70.3	-59.6	-16.4	0	0	0	113.7
2018	S	35.5	Very low	34.4	Very low	95 Å²	95	136.9 Å²	136.9	66%	0.664	71%	0.708	S	S	*	*			cis	-171.3	163.2	32.9	-126.6	0	0	0	0	115.5
2019	I	34	Very low	34.3	Very low	145 Å²	145	139.1 Å²	139.1	74%	0.744	72%	0.717	S	S	*	*			trans	82.8	125.7	140.2	-73.1	166.5	0	0	0	124.7
2020	L	33.8	Very low	34.3	Very low	149 Å²	149	140.3 Å²	140.3	78%	0.78	73%	0.734	S	S	*	*			trans	52.1	116.7	149.1	-65.4	171	0	0	0	126.3
2021	T	34.1	Very low	34.3	Very low	115 Å²	115	139 Å²	139	71%	0.706	74%	0.74	S	S	*	*				4.6	163.5	123.7	67.2	0	0	0	0	122.2
2022	P	37.2	Very low	34.1	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	75%	0.748	S	S	*	*				-139.8	126.8	-55	37.5	-18.6	0	0	0	113.3
2023	A	30.6	Very low	34.3	Very low	101 Å²	101	134.8 Å²	134.8	84%	0.835	75%	0.748	S	S	*	*			trans	-150.6	159.2	174.9	0	0	0	0	0	115.1
2024	D	34.5	Very low	34	Very low	123 Å²	123	139.2 Å²	139.2	66%	0.658	76%	0.76	S	S	*	*			trans	-2.2	131	168.3	-81.9	-76.3	0	0	0	121.9
2025	R	32.2	Very low	34	Very low	218 Å²	218	137.4 Å²	137.4	82%	0.823	76%	0.758	S	S	*	*				74.5	139.1	127.5	-70.2	172.1	-167.2	-140.9	-4.3	121.9
2026	V	33.2	Very low	33.7	Very low	121 Å²	121	135.1 Å²	135.1	73%	0.733	76%	0.76	S	S	*	*			trans	80	97.7	147.6	171.9	0	0	0	0	117.4
2027	N	30.2	Very low	33.7	Very low	130 Å²	130	135.7 Å²	135.7	70%	0.695	77%	0.768	S	S	*	*			trans	83.1	124.8	131.6	-78.1	-0.9	0	0	0	123.1
2028	I	36.6	Very low	33.8	Very low	134 Å²	134	133.2 Å²	133.2	69%	0.687	76%	0.763	S	S	*	*				71.5	123.7	126.7	-58.9	174.6	0	0	0	116.9
2029	Y	35.5	Very low	33.9	Very low	205 Å²	205	134.8 Å²	134.8	80%	0.804	77%	0.768	S	S	*	*			cis	-161.2	170	-9.2	-132.6	-91.9	0	0	0	110.3
2030	S	37.5	Very low	34	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	76%	0.757	S	S	*	*			trans	70.2	138.1	156.6	-59	0	0	0	0	119.9
2031	S	36.8	Very low	34.1	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	76%	0.76	S	S	*	*			cis	-171	138.7	-24.6	40.8	0	0	0	0	110.9
2032	G	32.5	Very low	34.3	Very low	78 Å²	78	131 Å²	131	80%	0.804	76%	0.756	S	S	*	*			trans	80.3	54.6	149	0	0	0	0	0	120.8
2033	P	36.6	Very low	34.2	Very low	114 Å²	114	131.5 Å²	131.5	74%	0.74	75%	0.745	S	S	*	*			trans	-88	156.7	163.8	37	-33.8	0	0	0	112.5
2034	Y	32.3	Very low	34.3	Very low	249 Å²	249	132.4 Å²	132.4	98%	0.976	74%	0.736	S	S	*	*			trans	-160.8	144.2	149.3	-112	-72.5	0	0	0	110.9
2035	G	35.9	Very low	34.2	Very low	68 Å²	68	130.6 Å²	130.6	70%	0.701	73%	0.732	S	S	*	*	S	Bend	trans	100.7	44.3	158.8	0	0	0	0	0	118.4
2036	N	27.6	Very low	34.5	Very low	160 Å²	160	126 Å²	126	86%	0.856	72%	0.724	S	S	*	*			trans	-149	136.8	156.4	-103.9	-30.9	0	0	0	110.5
2037	N	32.8	Very low	34.3	Very low	168 Å²	168	126.7 Å²	126.7	90%	0.898	72%	0.724	S	S	*	*			trans	-164.2	149.4	159.5	-107.2	-18.5	0	0	0	110.2
2038	S	30.7	Very low	34.5	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	72%	0.721	S	S	*	*			trans	-130.5	171.6	-176.2	-56.6	0	0	0	0	110
2039	T	36.5	Very low	34.2	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	72%	0.721	S	S	*	*			trans	63.2	150.5	154.7	45.1	0	0	0	0	118
2040	E	36.5	Very low	34.3	Very low	111 Å²	111	120.7 Å²	120.7	52%	0.519	72%	0.718	S	S	.	*			cis	-161.2	145.9	-20.5	-140.5	-177.7	-119.4	0	0	108.8	K2043	E2040-K2043 WeakPolarHBondContact OE2-CE 3.35Å; E2040-K2043 WeakPolarHBondContact OE2-CG 3.45Å
2041	L	36.5	Very low	34	Very low	161 Å²	161	121.2 Å²	121.2	84%	0.843	72%	0.719	S	S	*	*	S	Bend	trans	175.2	126.9	136.3	-97.4	162.9	0	0	0	109.2
2042	G	38.5	Very low	34	Very low	59 Å²	59	120 Å²	120	61%	0.608	71%	0.71	S	S	*	*	S	Bend	cis	-144.2	123.5	-0.9	0	0	0	0	0	114.1
2043	K	35.7	Very low	34.2	Very low	130 Å²	130	122.6 Å²	122.6	57%	0.565	70%	0.701	S	S	*	*				44.8	121.2	123.8	-56.4	170.2	-175.2	179.3	0	118.2	E2040	E2040-K2043 WeakPolarHBondContact OE2-CE 3.35Å; E2040-K2043 WeakPolarHBondContact OE2-CG 3.45Å
2044	L	30.9	Very low	34	Very low	121 Å²	121	122 Å²	122	63%	0.634	69%	0.688	S	S	*	*			cis	-174.7	156.4	-17.8	-124.4	173.8	0	0	0	107.4
2045	S	33.5	Very low	33.9	Very low	84 Å²	84	117.9 Å²	117.9	59%	0.587	68%	0.68	S	S	*	*			trans	60.8	176.1	178.1	79.4	0	0	0	0	114
2046	N	38.2	Very low	33.7	Very low	123 Å²	123	121.4 Å²	121.4	66%	0.658	69%	0.688	S	S	*	*			cis	-125.1	164.7	0	-93.2	-58.4	0	0	0	110
2047	N	28.1	Very low	33.9	Very low	134 Å²	134	124.2 Å²	124.2	72%	0.717	69%	0.688	S	S	*	*			cis	-64.1	175.4	-0.7	-88.4	-128.3	0	0	0	112.7	C2049	N2047-C2049 PolarHBondContact OD1-N 2.78Å
2048	L	34.4	Very low	33.8	Very low	120 Å²	120	121.6 Å²	121.6	63%	0.628	68%	0.678	S	S	*	*			cis	19.1	122.7	-13.5	-77.2	61.4	0	0	0	121.2
2049	C	30.5	Very low	34.3	Very low	104 Å²	104	122.2 Å²	122.2	70%	0.703	68%	0.682	S	S	*	*			trans	-89.8	111.8	141	-179	0	0	0	0	107.9	N2047	N2047-C2049 PolarHBondContact OD1-N 2.78Å
2050	V	38.3	Very low	34.1	Very low	120 Å²	120	120.9 Å²	120.9	73%	0.727	69%	0.685	S	S	*	*	S	Bend	trans	60.4	129.5	160.3	-177.6	0	0	0	0	117.9
2051	P	32	Very low	34.1	Very low	109 Å²	109	119.4 Å²	119.4	71%	0.708	69%	0.691	S	S	*	*			trans	-84.1	134.4	-171.8	32.3	-36	0	0	0	115.2
2052	S	36.6	Very low	34.1	Very low	83 Å²	83	117.2 Å²	117.2	58%	0.58	69%	0.687	S	S	*	*			trans	-166.2	118	140	54.2	0	0	0	0	115.6
2053	Q	35.4	Very low	34	Very low	134 Å²	134	119.6 Å²	119.6	63%	0.626	69%	0.694	S	S	*	*			trans	45.6	86.5	141.3	-55.8	172.9	-8.1	0	0	120.6	Q2009	Q2009-Q2053 PolarHBondContact NE2-O 3.21Å; Q2009-Q2053 VanDerWaalsContact NE2-O 3.16Å
2054	Q	32.6	Very low	33.7	Very low	101 Å²	101	121 Å²	121	47%	0.472	71%	0.707	S	S	.	*				167.2	163.7	107.8	-94.7	-162.9	6.2	0	0	114.4	Q2009	Q2009-Q2054 HydrophobicContact CG-CB 4.45Å; Q2009-Q2054 HydrophobicContact CG-CG 4.03Å
2055	M	31.8	Very low	33.7	Very low	162 Å²	162	125 Å²	125	80%	0.798	72%	0.715	S	S	*	*	S	Bend	trans	69.7	129	165.8	-71.8	-65.5	-165.2	0	0	119
2056	T	30.6	Very low	33.7	Very low	143 Å²	143	126.5 Å²	126.5	88%	0.877	72%	0.72	S	S	*	*	S	Bend	trans	74.6	145.6	173.8	-36	0	0	0	0	115.4
2057	Y	32.1	Very low	33.4	Very low	219 Å²	219	128.7 Å²	128.7	86%	0.859	73%	0.726	S	S	*	*			trans	-90.6	142.8	-148.9	-93.7	-95.2	0	0	0	117.2
2058	V	29.9	Very low	34	Very low	112 Å²	112	126.5 Å²	126.5	68%	0.679	72%	0.719	S	S	*	*			trans	-144.3	152.1	158.9	178.7	0	0	0	0	107.7
2059	S	41.3	Very low	34	Very low	109 Å²	109	129 Å²	129	76%	0.762	73%	0.728	S	S	*	*			trans	69.8	151.5	177.3	-65.8	0	0	0	0	116.5
2060	A	32.3	Very low	34.3	Very low	100 Å²	100	128.8 Å²	128.8	83%	0.826	73%	0.728	S	S	*	*			cis	-102.7	173.5	1.2	0	0	0	0	0	111.9
2061	A	36.1	Very low	34.1	Very low	80 Å²	80	129.4 Å²	129.4	66%	0.661	73%	0.732	S	S	*	*			cis	-146.6	172.9	11.9	0	0	0	0	0	113.7
2062	P	37.4	Very low	34.2	Very low	115 Å²	115	128 Å²	128	75%	0.747	73%	0.729	S	S	*	*			trans	-133.6	146.7	178.7	40.1	-24.3	0	0	0	117.3
2063	S	35.3	Very low	34.1	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	74%	0.738	S	S	*	*			trans	-175.5	120.8	156.7	45.4	0	0	0	0	108.3
2064	L	30.4	Very low	34.1	Very low	159 Å²	159	133.5 Å²	133.5	83%	0.832	75%	0.749	S	S	*	*				92.4	134.9	69.9	-80.7	170.4	0	0	0	114.6
2065	Y	30.4	Very low	34.5	Very low	205 Å²	205	133.9 Å²	133.9	80%	0.804	76%	0.76	S	S	*	*			trans	77.2	115.8	160.5	-93.8	-117.2	0	0	0	122.7
2066	V	32.9	Very low	34.7	Very low	116 Å²	116	129.8 Å²	129.8	70%	0.703	75%	0.752	S	S	*	*				57.4	116.8	127	-178.5	0	0	0	0	121
2067	H	32	Very low	35.3	Very low	170 Å²	170	125.6 Å²	125.6	79%	0.787	73%	0.727	S	S	*	*				26.6	147	123.3	-126.2	-124	0	0	0	119.7
2068	P	41.8	Very low	35.7	Very low	88 Å²	88	118.2 Å²	118.2	57%	0.571	71%	0.707	S	S	*	*			cis	-152.3	-170.9	35.9	46.2	-26	0	0	0	118.1
2069	Q	35	Very low	36.2	Very low	172 Å²	172	119.7 Å²	119.7	80%	0.804	70%	0.701	S	S	*	*			trans	72	142	157.1	-72.4	164.2	7.9	0	0	117.9
2070	S	35.9	Very low	36.2	Very low	100 Å²	100	117.5 Å²	117.5	70%	0.699	69%	0.686	S	S	*	*			cis	-159.3	161.6	-6.8	46.4	0	0	0	0	114.3
2071	T	34	Very low	36.4	Very low	133 Å²	133	121 Å²	121	82%	0.816	68%	0.682	S	S	*	*			trans	-24	157.8	155.9	42	0	0	0	0	118.8
2072	A	34.4	Very low	36.6	Very low	78 Å²	78	123.9 Å²	123.9	65%	0.645	68%	0.682	S	S	*	*			cis	-170.2	151	-3.1	0	0	0	0	0	114.4
2073	I	34.8	Very low	36.6	Very low	150 Å²	150	126.3 Å²	126.3	77%	0.769	68%	0.683	S	S	*	*				44.9	126	126.6	-49.1	171.4	0	0	0	121.2
2074	Q	35.8	Very low	36.8	Very low	183 Å²	183	126 Å²	126	86%	0.855	68%	0.68	S	S	*	*			trans	80.2	156.7	154.5	-84	-175.7	-9.9	0	0	120.5
2075	P	40.4	Very low	37.1	Very low	110 Å²	110	126 Å²	126	71%	0.714	68%	0.681	S	S	*	*				-129.8	152.7	-123.8	42.4	-28.1	0	0	0	118.7
2076	A	35.5	Very low	37.2	Very low	75 Å²	75	120.4 Å²	120.4	62%	0.62	67%	0.672	S	S	*	*			trans	68.4	152.6	153.4	0	0	0	0	0	117.7	H512	H512-A2076 HydrophobicContact CB-CB 4.37Å
2077	P	44.4	Very low	37.3	Very low	56 Å²	56	122.3 Å²	122.3	36%	0.364	68%	0.676	S	S	.	*			cis	-148.9	178.4	8.6	44.2	-24.3	0	0	0	120.5	H512 L514	H512-P2077 HydrophobicContact CB-CB 3.41Å; H512-P2077 VanDerWaalsContact CB-CB 3.41Å; H512-P2077 VanDerWaalsContact ND1-CB 3.26Å; H512-P2077 WeakPolarHBondContact ND1-CB 3.07Å; L514-P2077 HydrophobicContact CB-CG 4.06Å; L514-P2077 HydrophobicContact CD2-CG 4.04Å; L514-P2077 HydrophobicContact CG-CG 4.46Å
2078	S	39.1	Very low	37.7	Very low	63 Å²	63	119.8 Å²	119.8	44%	0.441	68%	0.675	S	S	.	*			trans	85.5	171.3	146.8	-37.9	0	0	0	0	122.8	H512 M513 L514	H512-S2078 WeakPolarHBondContact O-CB 3.47Å; H512-S2078 PolarHBondContact O-OG 3.35Å; M513-S2078 WeakPolarHBondContact CA-OG 3.47Å; M513-S2078 PolarHBondContact N-OG 3.31Å; M513-S2078 VanDerWaalsContact N-OG 3.08Å; M513-S2078 PolarHBondContact O-OG 3.14Å; L514-S2078 WeakPolarHBondContact CB-OG 3.21Å; L514-S2078 VanDerWaalsContact N-CB 3.29Å; L514-S2078 PolarHBondContact N-OG 3.29Å
2079	R	41.1	Very low	37.4	Very low	144 Å²	144	122.7 Å²	122.7	54%	0.543	68%	0.684	S	S	.	*			cis	-141.4	-88.9	-5	-161.3	-171.6	167.4	-121.1	8.6	118.5	L514	L514-R2079 VanDerWaalsContact O-CB 3.27Å; L514-R2079 WeakPolarHBondContact O-CB 3.32Å; L514-R2079 WeakPolarHBondContact O-CD 3.01Å
2080	S	41.7	Very low	37.3	Very low	63 Å²	63	122.5 Å²	122.5	44%	0.441	68%	0.683	S	S	.	*			trans	-146.2	148.6	-152	51	0	0	0	0	112.2
2081	F	36.1	Very low	37.1	Very low	173 Å²	173	122.8 Å²	122.8	76%	0.759	69%	0.685	S	S	*	*				-158.2	136	58	-99	-93.7	0	0	0	114.6
2082	H	40.2	Very low	37.2	Very low	141 Å²	141	125.2 Å²	125.2	65%	0.653	69%	0.687	S	S	*	*			trans	60	141.7	130.2	-90.3	-116.3	0	0	0	127.7
2083	H	37.6	Very low	37	Very low	166 Å²	166	128.8 Å²	128.8	77%	0.769	69%	0.692	S	S	*	*			trans	66.4	151.5	157.9	-61.3	-61.7	0	0	0	119.8
2084	S	39.9	Very low	37	Very low	100 Å²	100	125.9 Å²	125.9	70%	0.699	69%	0.686	S	S	*	*			cis	-175.6	171.9	-24.4	65.1	0	0	0	0	108.1
2085	L	35.9	Very low	37	Very low	161 Å²	161	125.7 Å²	125.7	84%	0.843	68%	0.684	S	S	*	*			cis	-154.9	-162.1	-2.3	-134.6	173.6	0	0	0	108.6
2086	S	33.5	Very low	36.7	Very low	87 Å²	87	124.8 Å²	124.8	61%	0.608	69%	0.687	S	S	*	*			trans	-158.1	149	-165.2	64.1	0	0	0	0	120
2087	I	35.1	Very low	36.4	Very low	155 Å²	155	132 Å²	132	80%	0.795	70%	0.698	S	S	*	*			trans	69.6	129.7	138.3	-70.4	167	0	0	0	121.9
2088	P	39.8	Very low	35.8	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	72%	0.721	S	S	*	*				-133.2	-165.8	124.3	44.9	-34.1	0	0	0	110.6
2089	I	35.5	Very low	35.3	Very low	150 Å²	150	141.1 Å²	141.1	77%	0.769	74%	0.737	S	S	*	*			cis	-141.8	-91.3	4.5	-165.3	170.7	0	0	0	114.8
2090	Q	33	Very low	34.7	Very low	167 Å²	167	144 Å²	144	78%	0.78	75%	0.748	S	S	*	*			trans	-163.5	-179	-163	-80.8	-170.2	-25.8	0	0	112
2091	S	31.5	Very low	34.2	Very low	106 Å²	106	147.8 Å²	147.8	74%	0.741	76%	0.758	S	S	*	*				173.6	98.4	-51.2	-82.2	0	0	0	0	111.9
2092	Q	35.8	Very low	34	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	74%	0.744	S	S	*	*			trans	-152	148.5	169.7	-85.4	-148.2	27	0	0	110.7
2093	M	30	Very low	33.5	Very low	153 Å²	153	143.1 Å²	143.1	75%	0.754	75%	0.747	S	S	*	*			cis	-158.5	168.9	-18.5	-159.7	160.2	-175	0	0	109.2
2094	S	34.5	Very low	33.5	Very low	90 Å²	90	139.7 Å²	139.7	63%	0.629	74%	0.74	S	S	*	*			trans	67	103.3	173.4	-65	0	0	0	0	117.2
2095	Q	35.7	Very low	33.3	Very low	178 Å²	178	142.7 Å²	142.7	83%	0.832	74%	0.742	S	S	*	*				82.9	137.2	70.5	-76.7	-178.8	93	0	0	114.1
2096	A	34	Very low	33.1	Very low	92 Å²	92	142.4 Å²	142.4	76%	0.76	74%	0.737	S	S	*	*			cis	-160.3	146.6	-15.6	0	0	0	0	0	112
2097	R	30.4	Very low	33.2	Very low	227 Å²	227	146.4 Å²	146.4	86%	0.857	75%	0.748	S	S	*	*			trans	-90.1	161.1	162.5	-61.8	176.3	176.7	178.3	-2.6	110.5
2098	K	32.5	Very low	33	Very low	193 Å²	193	146 Å²	146	84%	0.839	75%	0.747	S	S	*	*				159.1	146.8	125.6	-82.1	150.7	-167.7	174.2	0	111.1
2099	C	28.1	Very low	32.9	Very low	116 Å²	116	145.7 Å²	145.7	78%	0.784	75%	0.745	S	S	*	*			cis	77.3	148.3	33.4	-61.4	0	0	0	0	114.1
2100	R	28.9	Very low	32.7	Very low	206 Å²	206	142.6 Å²	142.6	78%	0.777	74%	0.737	S	S	*	*			cis	-174	133	-12.6	162.8	179.9	-178.9	177.8	3.9	109.8
2101	Q	30	Very low	32.9	Very low	141 Å²	141	140.9 Å²	140.9	66%	0.659	74%	0.738	S	S	*	*			trans	55.4	168.9	143.4	-146.9	163.6	27	0	0	121.6	W332	W332-Q2101 VanDerWaalsContact CH2-O 3.3Å; W332-Q2101 WeakPolarHBondContact CH2-O 3.26Å
2102	Q	33.2	Very low	33.1	Very low	99 Å²	99	145 Å²	145	46%	0.463	74%	0.743	S	S	.	*			trans	-107.7	145.6	-168.2	-76.4	171.6	-31.7	0	0	113.8	W332 S333	W332-Q2102 HydrophobicContact CD2-CG 4.44Å; W332-Q2102 HydrophobicContact CE3-CG 3.83Å; W332-Q2102 HydrophobicContact CH2-CG 3.85Å; W332-Q2102 HydrophobicContact CZ2-CG 4.42Å; W332-Q2102 HydrophobicContact CZ3-CB 4.4Å; W332-Q2102 HydrophobicContact CZ3-CG 3.51Å; S333-Q2102 PolarHBondContact O-NE2 2.71Å
2103	V	29.7	Very low	33.2	Very low	118 Å²	118	141.7 Å²	141.7	72%	0.715	74%	0.736	S	S	*	*				32.8	140.2	117.8	-169	0	0	0	0	118.2
2104	P	36.3	Very low	33.5	Very low	94 Å²	94	139 Å²	139	61%	0.61	74%	0.738	S	S	*	*			cis	-142.6	-164.8	-21.7	43.1	-23.8	0	0	0	115.4
2105	H	36	Very low	33.7	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.755	73%	0.733	S	S	*	*			trans	49	149.2	143.1	-61.8	-33.3	0	0	0	122.2
2106	Q	32.3	Very low	33.6	Very low	154 Å²	154	137.6 Å²	137.6	72%	0.72	73%	0.728	S	S	*	*			cis	-167	179	-8.9	-124.8	-176.9	-10.6	0	0	111.1
2107	M	36	Very low	33.7	Very low	171 Å²	171	136.9 Å²	136.9	84%	0.842	71%	0.714	S	S	*	*			trans	95.6	128.9	163.2	-58	-59.3	-170.3	0	0	118.8
2108	D	29.6	Very low	34	Very low	147 Å²	147	128.9 Å²	128.9	79%	0.786	69%	0.693	S	S	*	*			trans	-89.4	170	172.2	-118.5	-55.2	0	0	0	109.4	S2110	D2108-S2110 PolarHBondContact OD1-N 3.39Å
2109	P	39	Very low	34	Very low	110 Å²	110	126.6 Å²	126.6	71%	0.714	68%	0.684	S	S	*	*			cis	-146.2	148.5	48.7	42	-21.8	0	0	0	119.8
2110	S	30.1	Very low	34.6	Very low	86 Å²	86	122.8 Å²	122.8	60%	0.601	66%	0.658	S	S	*	*			trans	61.3	111.7	133.9	69.4	0	0	0	0	121.7	D2108	D2108-S2110 PolarHBondContact OD1-N 3.39Å
2111	T	37.7	Very low	34.8	Very low	131 Å²	131	115.6 Å²	115.6	80%	0.804	64%	0.636	S	S	*	*				-152.6	124.1	114.1	8.4	0	0	0	0	111.8
2112	F	35.4	Very low	35.1	Very low	191 Å²	191	110 Å²	110	84%	0.838	61%	0.611	S	S	*	*				39.2	134.5	127.9	-79.4	-93.4	0	0	0	120.1
2113	T	37	Very low	35.3	Very low	116 Å²	116	109.4 Å²	109.4	71%	0.712	61%	0.61	S	S	*	*			cis	-159	144.7	29.3	-70.6	0	0	0	0	113.3
2114	A	37.1	Very low	35.8	Very low	96 Å²	96	109.7 Å²	109.7	79%	0.793	60%	0.602	S	S	*	*			trans	55.9	157.6	159.1	0	0	0	0	0	120.8
2115	G	38.1	Very low	35.8	Very low	51 Å²	51	111 Å²	111	53%	0.526	60%	0.604	S	S	.	*			cis	163	111	-15.3	0	0	0	0	0	116.7
2116	Y	34	Very low	35.5	Very low	188 Å²	188	105.5 Å²	105.5	74%	0.737	58%	0.578	S	S	*	*			trans	65.6	-169.9	141.1	-47.4	-65.2	0	0	0	118.8	M600	M600-Y2116 VanDerWaalsContact CE-CB 3.42Å; M600-Y2116 HydrophobicContact CE-CD1 4.08Å; M600-Y2116 HydrophobicContact CE-CD2 3.58Å; M600-Y2116 HydrophobicContact CE-CE2 4.34Å; M600-Y2116 HydrophobicContact CE-CG 3.42Å; M600-Y2116 VanDerWaalsContact CE-CG 3.42Å; M600-Y2116 VanDerWaalsContact SD-CB 3.5Å; M600-Y2116 HydrophobicContact SD-CD2 3.45Å; M600-Y2116 WeakPolarHBondContact SD-CD2 3.34Å; M600-Y2116 HydrophobicContact SD-CE2 4.4Å; M600-Y2116 HydrophobicContact SD-CG 3.73Å
2117	T	36.5	Very low	35.3	Very low	76 Å²	76	104.1 Å²	104.1	47%	0.466	57%	0.567	S	S	.	*				-146.6	169.4	-66	38.5	0	0	0	0	111.1
2118	S	37.2	Very low	35.1	Very low	60 Å²	60	103.1 Å²	103.1	42%	0.42	57%	0.565	S	S	.	*			trans	69.7	126.4	155.8	9.2	0	0	0	0	117.9	S599	S599-S2118 PolarHBondContact O-OG 2.9Å
2119	F	31.6	Very low	35	Very low	145 Å²	145	99.6 Å²	99.6	64%	0.636	54%	0.543	S	S	*	.			cis	59.7	148	25.6	-65.9	-69.2	0	0	0	114.3	W590	W590-F2119 HydrophobicContact CB-CZ 4.3Å; W590-F2119 AromaticContact CD1-CZ 3.82Å; W590-F2119 HydrophobicContact CG-CE1 4.43Å; W590-F2119 HydrophobicContact CG-CZ 4.03Å
2120	P	40.4	Very low	35.4	Very low	36 Å²	36	98.2 Å²	98.2	23%	0.234	53%	0.534	C	S	.	.			cis	-136.4	-165.1	25.4	45.6	-28.3	0	0	0	113.5	D532 T534	D532-P2120 WeakPolarHBondContact OD1-CD 3.25Å; D532-P2120 VanDerWaalsContact OD2-CD 3.25Å; D532-P2120 WeakPolarHBondContact OD2-CD 3.47Å; D532-P2120 WeakPolarHBondContact OD2-CG 3.28Å; T534-P2120 PolarHBondContact N-O 3.12Å
2121	T	34	Very low	35.7	Very low	54 Å²	54	98.2 Å²	98.2	33%	0.331	53%	0.532	S	S	.	.			cis	-144.7	-168.4	3.3	-26.2	0	0	0	0	104.9	T534 A535	T534-T2121 WeakPolarHBondContact CA-O 2.96Å; T534-T2121 WeakPolarHBondContact OG1-CB 2.97Å; T534-T2121 PolarHBondContact OG1-OG1 2.88Å; A535-T2121 VanDerWaalsContact CA-O 3.3Å; A535-T2121 WeakPolarHBondContact CA-O 3.37Å
2122	D	36.5	Very low	35.1	Very low	25 Å²	25	97.2 Å²	97.2	13%	0.134	53%	0.53	C	S	.	.			cis	-159.8	156.5	-7.5	-150.9	4.4	0	0	0	99.7	A535 A536 K2124	A535-D2122 HydrophobicContact CB-CB 3.35Å; A535-D2122 WeakPolarHBondContact CB-O 3.41Å; A536-D2122 PolarHBondContact N-O 3.37Å; D2122-K2124 IonicContact OD1-NZ 2.66Å; D2122-K2124 PolarHBondContact OD1-NZ 2.64Å; D2122-K2124 IonicContact OD2-NZ 2.7Å; D2122-K2124 PolarHBondContact OD2-NZ 2.89Å
2123	I	36.4	Very low	34.8	Very low	86 Å²	86	95.4 Å²	95.4	44%	0.441	53%	0.528	S	S	.	.	S	Bend	cis	-136	113.7	34	-72.4	175.1	0	0	0	110.9	A536	A536-I2123 HydrophobicContact CB-CD1 3.73Å; A536-I2123 HydrophobicContact CB-CG1 3.91Å
2124	K	39.9	Very low	34.3	Very low	123 Å²	123	95.1 Å²	95.1	54%	0.535	54%	0.538	S	S	.	.			trans	52.3	138.3	138.8	-61.3	169	-160.7	59.9	0	120.7	D2122	D2122-K2124 IonicContact OD1-NZ 2.66Å; D2122-K2124 PolarHBondContact OD1-NZ 2.64Å; D2122-K2124 IonicContact OD2-NZ 2.7Å; D2122-K2124 PolarHBondContact OD2-NZ 2.89Å
2125	N	36.1	Very low	33.9	Very low	122 Å²	122	93.7 Å²	93.7	65%	0.652	53%	0.532	S	S	*	.			cis	-165.6	145.6	-21	-127.1	43.9	0	0	0	108.4
2126	E	31.2	Very low	33.4	Very low	47 Å²	47	94.7 Å²	94.7	22%	0.22	53%	0.53	C	S	.	.			trans	-69	-174.9	163.1	-47.3	133.8	115.3	0	0	110.3	W590	W590-E2126 VanDerWaalsContact CE2-CD 3.45Å; W590-E2126 VanDerWaalsContact CE2-OE2 3.27Å; W590-E2126 HydrophobicContact CZ2-CG 4.48Å; W590-E2126 WeakPolarHBondContact CZ2-OE2 3.27Å; W590-E2126 PolarHBondContact NE1-OE1 3.35Å; W590-E2126 PolarHBondContact NE1-OE2 3.31Å; W590-E2126 VanDerWaalsContact NE1-OE2 3.1Å
2127	Y	28.2	Very low	33.1	Very low	125 Å²	125	90.3 Å²	90.3	49%	0.49	52%	0.518	S	S	.	.			cis	-142.7	154.1	15.8	-98.6	-93.2	0	0	0	109.4	A587	A587-Y2127 WeakPolarHBondContact O-CD1 3.11Å
2128	N	29.9	Very low	33.3	Very low	150 Å²	150	89.2 Å²	89.2	80%	0.802	51%	0.513	S	S	*	.			trans	179.4	94.6	134.5	-103	3.3	0	0	0	112.7
2129	F	29.5	Very low	33.2	Very low	73 Å²	73	90.9 Å²	90.9	32%	0.32	52%	0.522	S	S	.	.			trans	-65.9	150.8	134.4	-135.4	-3.6	0	0	0	106.6	V585 T586 A587 P632	V585-F2129 HydrophobicContact CB-CD2 4.09Å; V585-F2129 HydrophobicContact CB-CG 4.3Å; V585-F2129 HydrophobicContact CG2-CB 3.93Å; V585-F2129 HydrophobicContact CG2-CD1 4.37Å; V585-F2129 HydrophobicContact CG2-CD2 4.23Å; V585-F2129 HydrophobicContact CG2-CG 3.91Å; T586-F2129 WeakPolarHBondContact O-CA 3.07Å; T586-F2129 WeakPolarHBondContact O-CB 2.94Å; T586-F2129 PolarHBondContact O-N 3.44Å; A587-F2129 HydrophobicContact CB-CB 3.87Å; A587-F2129 HydrophobicContact CB-CD2 3.25Å; A587-F2129 HydrophobicContact CB-CE2 3.89Å; A587-F2129 HydrophobicContact CB-CG 3.78Å; A587-F2129 PolarHBondContact O-N 3.21Å; P632-F2129 HydrophobicContact CB-CE1 4.23Å; P632-F2129 HydrophobicContact CB-CZ 4.31Å; P632-F2129 HydrophobicContact CG-CD1 4.34Å; P632-F2129 HydrophobicContact CG-CE1 3.58Å; P632-F2129 HydrophobicContact CG-CZ 3.88Å
2130	P	45.6	Very low	33.3	Very low	81 Å²	81	87.1 Å²	87.1	53%	0.526	51%	0.512	S	S	.	.			trans	-98.7	-152	-155	44.3	-44.8	0	0	0	112	V585	V585-P2130 WeakPolarHBondContact CG2-O 3.05Å
2131	P	37.1	Very low	33	Very low	87 Å²	87	89.7 Å²	89.7	57%	0.565	53%	0.529	S	S	*	.			cis	-125.8	159.8	-20.1	38.6	-24.6	0	0	0	114.3
2132	S	25.3	Very low	33	Very low	109 Å²	109	90.7 Å²	90.7	76%	0.762	54%	0.538	S	S	*	.			trans	-165.7	139.4	145.2	-96	0	0	0	0	114.7
2133	I	29.9	Very low	32.8	Very low	154 Å²	154	94.6 Å²	94.6	79%	0.79	56%	0.563	S	S	*	*			trans	53.5	111.3	147.6	-57.3	170.8	0	0	0	117.1	G2135	I2133-G2135 PolarHBondContact O-N 2.83Å
2134	A	26.3	Very low	32.8	Very low	110 Å²	110	92.2 Å²	92.2	91%	0.909	56%	0.559	S	S	*	*			trans	-63.9	95.9	165.4	0	0	0	0	0	111.3
2135	G	28.5	Very low	32.4	Very low	65 Å²	65	93.1 Å²	93.1	67%	0.67	57%	0.569	S	S	*	*			trans	-71	154.9	176.1	0	0	0	0	0	114.5	I2133	I2133-G2135 PolarHBondContact O-N 2.83Å
2136	C	27.3	Very low	32.2	Very low	72 Å²	72	97.4 Å²	97.4	49%	0.486	58%	0.578	S	S	.	*			trans	-57.9	144.7	168.7	-48.8	0	0	0	0	113	T1272	T1272-C2136 VanDerWaalsContact CA-SG 3.55Å; T1272-C2136 WeakPolarHBondContact CG2-SG 3.11Å; T1272-C2136 PolarHBondContact N-SG 3.49Å
2137	I	27.8	Very low	32.2	Very low	96 Å²	96	101 Å²	101	49%	0.492	61%	0.608	S	S	.	*			trans	57.6	157.5	137.5	-103.1	-171.6	0	0	0	119.3	T1272	T1272-I2137 WeakPolarHBondContact O-CD1 3.2Å; T1272-I2137 WeakPolarHBondContact O-CG1 3.42Å
2138	P	39.4	Very low	32.5	Very low	54 Å²	54	99.5 Å²	99.5	35%	0.351	62%	0.621	S	S	.	*			trans	-97	-173.8	-154.5	43.7	-45.2	0	0	0	114	R1275 V1276	R1275-P2138 VanDerWaalsContact C-CB 3.48Å; V1276-P2138 VanDerWaalsContact CA-CB 3.43Å
2139	P	36	Very low	32.7	Very low	94 Å²	94	99.6 Å²	99.6	61%	0.61	62%	0.62	S	S	*	*			cis	-150.6	-143.6	27.8	42.3	-15.3	0	0	0	119.6	V1276 S1277	V1276-P2139 VanDerWaalsContact O-CB 3.32Å; V1276-P2139 WeakPolarHBondContact O-CB 3.26Å; S1277-P2139 VanDerWaalsContact C-C 3.44Å; S1277-P2139 WeakPolarHBondContact O-CB 3.26Å
2140	P	33.9	Very low	32.8	Very low	67 Å²	67	104 Å²	104	44%	0.435	64%	0.641	S	S	.	*				-44.8	166.1	-117.9	1	0.4	0	0	0	131.1	S1277 N1278	S1277-P2140 VanDerWaalsContact CA-N 3.33Å; S1277-P2140 VanDerWaalsContact CB-CB 3.45Å; S1277-P2140 WeakPolarHBondContact O-CA 3.48Å; S1277-P2140 VanDerWaalsContact O-CB 3.23Å; S1277-P2140 WeakPolarHBondContact O-CB 3.15Å; S1277-P2140 WeakPolarHBondContact O-CD 3.26Å; S1277-P2140 WeakPolarHBondContact O-CG 3.47Å; N1278-P2140 VanDerWaalsContact CA-CD 3.41Å; N1278-P2140 WeakPolarHBondContact CA-O 2.97Å; N1278-P2140 HydrophobicContact CB-CB 3.28Å; N1278-P2140 HydrophobicContact CB-CG 4.32Å; N1278-P2140 WeakPolarHBondContact CB-O 3.22Å; N1278-P2140 VanDerWaalsContact CG-C 3.48Å; N1278-P2140 VanDerWaalsContact N-C 3.28Å; N1278-P2140 PolarHBondContact ND2-O 2.86Å; N1278-P2140 WeakPolarHBondContact O-CD 3.35Å
2141	P	33.3	Very low	32.2	Very low	90 Å²	90	106 Å²	106	58%	0.584	64%	0.644	S	S	*	*				-46.1	142.4	125.8	39	-17.8	0	0	0	125	N1278	N1278-P2141 WeakPolarHBondContact CB-O 3.01Å
2142	S	34.6	Very low	32	Very low	74 Å²	74	106.8 Å²	106.8	52%	0.517	65%	0.651	S	S	.	*			trans	-52.4	169.2	171.9	42.2	0	0	0	0	115.9	N1278	N1278-S2142 PolarHBondContact OD1-N 3.46Å
2143	V	32.5	Very low	32.3	Very low	108 Å²	108	108.1 Å²	108.1	66%	0.655	65%	0.65	S	S	*	*			cis	-144.4	151.6	40.5	-179.1	0	0	0	0	108.8
2144	G	35.4	Very low	32.2	Very low	36 Å²	36	108.9 Å²	108.9	37%	0.371	64%	0.644	S	S	.	*				72.1	143.5	71.3	0	0	0	0	0	112.1
2145	L	32.5	Very low	32.6	Very low	142 Å²	142	105.3 Å²	105.3	74%	0.743	61%	0.612	S	S	*	*			cis	-153.5	172.3	17.2	-81.5	168.1	0	0	0	113.6
2146	Y	32.8	Very low	32.6	Very low	211 Å²	211	105.3 Å²	105.3	83%	0.827	59%	0.594	S	S	*	*			trans	71.5	148.8	159.8	-76.3	-67.2	0	0	0	122.7
2147	S	29.9	Very low	32.5	Very low	122 Å²	122	105.9 Å²	105.9	85%	0.853	59%	0.592	S	S	*	*			trans	-142.3	139.7	-168.9	-54.6	0	0	0	0	111.3
2148	A	34.1	Very low	32.5	Very low	94 Å²	94	105 Å²	105	78%	0.777	60%	0.595	S	S	*	*			trans	-164.2	142.8	156.7	0	0	0	0	0	108.9
2149	I	35.6	Very low	32	Very low	153 Å²	153	104 Å²	104	79%	0.785	59%	0.594	S	S	*	*			cis	-142.5	140	-14.6	-103.4	162.8	0	0	0	107.5
2150	H	31.6	Very low	31.7	Very low	164 Å²	164	105.5 Å²	105.5	76%	0.759	59%	0.588	S	S	*	*			trans	53.1	136.3	161.5	-80.9	-160.9	0	0	0	124.1
2151	Q	32.1	Very low	31.4	Very low	124 Å²	124	107.3 Å²	107.3	58%	0.579	59%	0.59	S	S	*	*			trans	77.9	77.5	149.3	-72	175.7	87.1	0	0	120.3
2152	S	32.5	Very low	31.5	Very low	103 Å²	103	107.1 Å²	107.1	72%	0.72	60%	0.596	S	S	*	*				102.5	135.2	115.8	74.3	0	0	0	0	119.9
2153	N	33.3	Very low	31.2	Very low	138 Å²	138	110.7 Å²	110.7	74%	0.738	61%	0.608	S	S	*	*			trans	68.2	94.8	164.8	-61	-28	0	0	0	119.1
2154	Y	27.5	Very low	31.5	Very low	169 Å²	169	108.5 Å²	108.5	66%	0.663	61%	0.607	S	S	*	*				32.3	136.4	120.7	-77.3	-92.5	0	0	0	119.4	K1193	K1193-Y2154 PolarHBondContact O-OH 2.77Å
2155	P	34.8	Very low	31.2	Very low	35 Å²	35	114 Å²	114	23%	0.227	62%	0.621	C	S	.	*			cis	-138.2	176.1	-19.4	21.2	4.2	0	0	0	114.9	H1284	H1284-P2155 PolarHBondContact CE1-O 3.16Å; H1284-P2155 PolarHBondContact ND1-O 3.13Å
2156	Q	27.9	Very low	31.1	Very low	65 Å²	65	111.1 Å²	111.1	30%	0.304	61%	0.611	S	S	.	*			trans	73.4	164	170.4	-43.4	113.8	-1	0	0	113.8	Q1282 N1283 H1284	Q1282-Q2156 HydrophobicContact CB-CB 4.3Å; Q1282-Q2156 HydrophobicContact CB-CG 3.4Å; Q1282-Q2156 HydrophobicContact CG-CG 4.48Å; N1283-Q2156 WeakPolarHBondContact O-CG 3.2Å; N1283-Q2156 PolarHBondContact O-NE2 3.08Å; N1283-Q2156 VanDerWaalsContact O-NE2 3.12Å; N1283-Q2156 PolarHBondContact O-OE1 3.31Å; H1284-Q2156 VanDerWaalsContact CA-OE1 3.22Å; H1284-Q2156 PolarHBondContact ND1-OE1 3.25Å
2157	N	24.8	Very low	30.9	Very low	84 Å²	84	105.5 Å²	105.5	45%	0.449	60%	0.599	S	S	.	*			cis	-149	164.2	-8.2	-149.1	0	0	0	0	107.2	G1281 Q1282 N1283	G1281-N2157 PolarHBondContact O-OD1 3.35Å; Q1282-N2157 PolarHBondContact O-ND2 3.27Å; Q1282-N2157 PolarHBondContact O-OD1 3.42Å; N1283-N2157 WeakPolarHBondContact CA-ND2 3.35Å; N1283-N2157 PolarHBondContact OD1-ND2 3.48Å
2158	S	28.1	Very low	30.9	Very low	77 Å²	77	104.4 Å²	104.4	54%	0.538	59%	0.587	S	S	.	*			cis	-153.5	178.8	5.7	72.9	0	0	0	0	111.7
2159	G	28.7	Very low	30.7	Very low	33 Å²	33	102.9 Å²	102.9	34%	0.34	57%	0.568	S	S	.	*			trans	-82.2	165.3	-177.2	0	0	0	0	0	115.1	A1280 N2351	A1280-G2159 WeakPolarHBondContact O-CA 3.03Å; A1280-G2159 PolarHBondContact O-N 3.14Å; A1280-G2159 VanDerWaalsContact O-N 3.09Å; G2159-N2351 PolarHBondContact O-ND2 2.77Å
2160	R	29.6	Very low	30.6	Very low	126 Å²	126	100.4 Å²	100.4	48%	0.475	56%	0.556	S	S	.	*			trans	-118.2	139.5	-173.2	-51.1	-139.2	91.1	174.6	167.8	113.5	N2351 P2352 I2353	R2160-N2351 HydrophobicContact CB-CB 3.9Å; R2160-N2351 HydrophobicContact CG-CB 4.43Å; R2160-N2351 PolarHBondContact NE-OD1 3.04Å; R2160-N2351 PolarHBondContact NH1-OD1 3.04Å; R2160-P2352 PolarHBondContact NH1-O 3.44Å; R2160-P2352 PolarHBondContact NH2-O 2.78Å; R2160-I2353 HydrophobicContact CB-CD1 4.12Å; R2160-I2353 HydrophobicContact CG-CD1 4.05Å
2161	H	28.6	Very low	30.8	Very low	105 Å²	105	94.4 Å²	94.4	49%	0.486	53%	0.533	S	S	.	.			trans	-75.8	160.9	-169.4	-80.4	-86.5	0	0	0	113.9	L2350 N2351	H2161-L2350 HydrophobicContact CB-CD2 3.7Å; H2161-N2351 HydrophobicContact CB-CB 3.86Å; H2161-N2351 PolarHBondContact CD2-ND2 2.64Å
2162	A	33.8	Very low	31.1	Very low	86 Å²	86	96.7 Å²	96.7	71%	0.711	54%	0.537	S	S	*	.			trans	-68.6	163.9	164.8	0	0	0	0	0	114.8
2163	I	29.4	Very low	31	Very low	150 Å²	150	95.4 Å²	95.4	77%	0.769	53%	0.528	S	S	*	.			trans	-165	142.3	137.5	-90.1	142.3	0	0	0	105.4	L2350	I2163-L2350 HydrophobicContact CD1-CD1 3.88Å; I2163-L2350 HydrophobicContact CD1-CD2 3.85Å
2164	G	39.2	Very low	30.9	Very low	61 Å²	61	94.7 Å²	94.7	63%	0.629	52%	0.524	S	S	*	.			cis	169.9	174.9	-8.2	0	0	0	0	0	111.4
2165	F	27.2	Very low	31.4	Very low	153 Å²	153	92.4 Å²	92.4	67%	0.671	52%	0.522	S	S	*	.			trans	-132.3	141.4	154.5	-110.4	-87.2	0	0	0	108	L453	L453-F2165 HydrophobicContact CD2-CD1 3.79Å; L453-F2165 HydrophobicContact CD2-CE1 3.33Å; L453-F2165 HydrophobicContact CD2-CE2 4.22Å; L453-F2165 HydrophobicContact CD2-CG 4.45Å; L453-F2165 HydrophobicContact CD2-CZ 3.58Å; L453-F2165 HydrophobicContact CG-CD1 4.08Å; L453-F2165 HydrophobicContact CG-CE1 4.13Å
2166	P	32.2	Very low	31.5	Very low	81 Å²	81	92.8 Å²	92.8	53%	0.526	53%	0.532	S	S	.	.			trans	-91.3	-173.9	-162.4	35.2	-37	0	0	0	116.3	K452	K452-P2166 WeakPolarHBondContact CD-O 2.98Å; K452-P2166 PolarHBondContact NZ-O 3.14Å
2167	T	27.8	Very low	31.5	Very low	93 Å²	93	96.3 Å²	96.3	57%	0.571	55%	0.554	S	S	*	*			trans	45.4	132.7	143	47.6	0	0	0	0	122.5	K452	K452-T2167 VanDerWaalsContact CG-O 3.31Å; K452-T2167 WeakPolarHBondContact CG-O 3.13Å; K452-T2167 PolarHBondContact NZ-O 3.25Å
2168	T	30	Very low	32	Very low	98 Å²	98	96.7 Å²	96.7	60%	0.601	56%	0.561	S	S	*	*			trans	66	-178.3	141.2	59.8	0	0	0	0	116.9	K452	K452-T2168 WeakPolarHBondContact CE-O 3.43Å; K452-T2168 PolarHBondContact NZ-O 2.7Å
2169	V	29.7	Very low	32.2	Very low	62 Å²	62	98.3 Å²	98.3	38%	0.376	57%	0.572	S	S	.	*			cis	-142.9	161.6	13.8	-105.4	0	0	0	0	109.9	E455	E455-V2169 WeakPolarHBondContact OE2-CG1 3.33Å
2170	N	33.2	Very low	32.2	Very low	101 Å²	101	100.8 Å²	100.8	54%	0.54	59%	0.589	S	S	.	*			cis	-153.7	162.1	6.3	-107.2	-38.1	0	0	0	107.1	E455	E455-N2170 PolarHBondContact OE1-ND2 2.68Å; E455-N2170 PolarHBondContact OE2-ND2 2.8Å
2171	S	35.7	Very low	31.9	Very low	39 Å²	39	100 Å²	100	27%	0.273	60%	0.598	S	S	.	*			cis	-175.5	167	-21.6	41.5	0	0	0	0	109.6	A85	A85-S2171 CarbonylContact O-C 3.35Å
2172	Y	38.6	Very low	31.8	Very low	172 Å²	172	99.4 Å²	99.4	68%	0.675	61%	0.606	S	S	*	*	B	Isolated β-bridge		156.1	126.7	121.8	-82.6	-61.6	0	0	0	116.9	A85	A85-Y2172 PolarHBondContact O-N 3.47Å
2173	S	31.6	Very low	31.4	Very low	76 Å²	76	100.9 Å²	100.9	53%	0.531	60%	0.602	S	S	.	*			trans	73	144.7	134.9	-52.6	0	0	0	0	125	S87	S87-S2173 VanDerWaalsContact CA-O 3.25Å; S87-S2173 WeakPolarHBondContact CA-O 3.31Å; S87-S2173 PolarHBondContact N-O 2.87Å
2174	L	31.1	Very low	31.3	Very low	123 Å²	123	102.3 Å²	102.3	64%	0.644	61%	0.61	S	S	*	*	S	Bend	trans	74.6	102.2	171.1	-56.3	-178.5	0	0	0	123.2	S87 T88	S87-L2174 WeakPolarHBondContact CA-O 3.44Å; S87-L2174 VanDerWaalsContact CB-C 3.45Å; S87-L2174 WeakPolarHBondContact CB-O 3.21Å; T88-L2174 VanDerWaalsContact N-C 3.31Å; T88-L2174 VanDerWaalsContact N-N 3.12Å; T88-L2174 WeakPolarHBondContact O-CA 3.04Å; T88-L2174 PolarHBondContact O-N 3.39Å
2175	L	36.6	Very low	30.6	Very low	120 Å²	120	106.8 Å²	106.8	63%	0.628	62%	0.615	S	S	*	*	S	Bend	trans	89.1	106.3	174.7	-70.2	70.9	0	0	0	122.5	S87 T88	S87-L2175 CarbonylContact C-O 2.93Å; S87-L2175 WeakPolarHBondContact CB-O 3.44Å; S87-L2175 CarbonylContact O-C 3.49Å; S87-L2175 PolarHBondContact OG-O 3.33Å; T88-L2175 PolarHBondContact O-N 2.84Å
2176	G	38.1	Very low	31.2	Very low	43 Å²	43	103.3 Å²	103.3	44%	0.443	61%	0.614	S	S	.	*			trans	82.5	124.4	157.8	0	0	0	0	0	119.8	T88	T88-G2176 PolarHBondContact OG1-O 3.31Å
2177	N	27.7	Very low	31	Very low	140 Å²	140	104.2 Å²	104.2	75%	0.749	63%	0.628	S	S	*	*			cis	59.8	139.2	13.5	-126.4	7.4	0	0	0	115.8	T88	T88-N2177 HydrophobicContact CG2-CB 4.2Å
2178	P	35.5	Very low	31.5	Very low	92 Å²	92	102.6 Å²	102.6	60%	0.597	63%	0.631	S	S	*	*			cis	-129.1	169.9	-6.7	43.5	-29	0	0	0	115.1
2179	S	31.6	Very low	32.3	Very low	111 Å²	111	105.5 Å²	105.5	78%	0.776	64%	0.637	S	S	*	*	S	Bend	trans	-75.2	153.8	151.3	-67.8	0	0	0	0	110.2	T2181	S2179-T2181 PolarHBondContact O-N 2.8Å
2180	A	28.2	Very low	32.4	Very low	84 Å²	84	106.9 Å²	106.9	69%	0.694	65%	0.648	S	S	*	*			trans	50.1	64.3	155.1	0	0	0	0	0	118.1	S2182	A2180-S2182 VanDerWaalsContact C-OG 3.27Å; A2180-S2182 PolarHBondContact O-OG 3.25Å
2181	T	23.2	Very low	32.1	Very low	109 Å²	109	112.2 Å²	112.2	67%	0.669	66%	0.661	S	S	*	*			trans	-129.5	104.2	130.8	56	0	0	0	0	106.5	S2179	S2179-T2181 PolarHBondContact O-N 2.8Å
2182	S	26.4	Very low	32	Very low	93 Å²	93	114.1 Å²	114.1	65%	0.65	68%	0.68	S	S	*	*			cis	46.7	70.8	28.1	70	0	0	0	0	112.2	A2180	A2180-S2182 VanDerWaalsContact C-OG 3.27Å; A2180-S2182 PolarHBondContact O-OG 3.25Å
2183	N	25.9	Very low	32	Very low	118 Å²	118	111.7 Å²	111.7	63%	0.631	69%	0.685	S	S	*	*			trans	-164.2	18	161.8	-96.5	-13.6	0	0	0	114.3	Q2185	N2183-Q2185 WeakPolarHBondContact O-CB 3.42Å; N2183-Q2185 PolarHBondContact O-OE1 3.02Å
2184	L	27.3	Very low	31.8	Very low	180 Å²	180	111.8 Å²	111.8	94%	0.942	69%	0.69	S	S	*	*	S	Bend	trans	-124.8	65.9	147.3	-73.5	176.9	0	0	0	105.6
2185	Q	26.1	Very low	31.6	Very low	155 Å²	155	114.4 Å²	114.4	72%	0.724	70%	0.703	S	S	*	*				72.9	100.4	59.1	-160.2	179.1	0.4	0	0	109.5	N2183	N2183-Q2185 WeakPolarHBondContact O-CB 3.42Å; N2183-Q2185 PolarHBondContact O-OE1 3.02Å
2186	A	38.2	Very low	31.2	Very low	80 Å²	80	112 Å²	112	66%	0.661	71%	0.707	S	S	*	*			cis	-139.6	-135.7	-4.7	0	0	0	0	0	112.4
2187	A	28.7	Very low	31.3	Very low	99 Å²	99	116 Å²	116	82%	0.818	73%	0.725	S	S	*	*				11.8	113.3	83.6	0	0	0	0	0	112.6
2188	G	38.5	Very low	31.4	Very low	60 Å²	60	113.8 Å²	113.8	62%	0.619	73%	0.726	S	S	*	*			cis	145.3	125.2	19.4	0	0	0	0	0	105
2189	Q	46.5	Very low	31.3	Very low	159 Å²	159	114.4 Å²	114.4	74%	0.743	74%	0.739	S	S	*	*			trans	60	176.4	-142.7	-38	-53.6	-16.1	0	0	111.1
2190	P	30.7	Very low	31.4	Very low	91 Å²	91	112.5 Å²	112.5	59%	0.591	74%	0.737	S	S	*	*			cis	-110	175.1	-22.4	4.9	19	0	0	0	112.3	R373	R373-P2190 PolarHBondContact NH1-O 3.43Å; R373-P2190 PolarHBondContact NH2-O 2.92Å
2191	Y	28.1	Very low	31.5	Very low	212 Å²	212	116.8 Å²	116.8	83%	0.831	75%	0.748	S	S	*	*			trans	34.9	170.7	144.4	-73.5	-97.1	0	0	0	124.6	R373	R373-Y2191 PolarHBondContact NH1-O 2.98Å
2192	A	34.4	Very low	31.8	Very low	79 Å²	79	115.8 Å²	115.8	65%	0.653	76%	0.76	S	S	*	*			trans	-105.3	-166.3	171.4	0	0	0	0	0	108.8
2193	P	37.7	Very low	31.8	Very low	122 Å²	122	115.1 Å²	115.1	79%	0.792	77%	0.767	S	S	*	*			cis	-148.5	-163.4	29.2	41.9	-18	0	0	0	117.3
2194	A	28.1	Very low	31.9	Very low	77 Å²	77	113.4 Å²	113.4	64%	0.636	78%	0.778	S	S	*	*			trans	92.2	119.3	144	0	0	0	0	0	123.2
2195	I	25.5	Very low	32.2	Very low	179 Å²	179	112.5 Å²	112.5	92%	0.918	77%	0.773	S	S	*	*			trans	63.9	129.8	135.3	-54.3	166.1	0	0	0	120.3
2196	G	28.1	Very low	33	Very low	68 Å²	68	112.7 Å²	112.7	70%	0.701	78%	0.778	S	S	*	*			trans	150.2	133.8	158.5	0	0	0	0	0	115.9
2197	P	41.3	Very low	33.3	Very low	127 Å²	127	114.1 Å²	114.1	83%	0.825	78%	0.781	S	S	*	*			trans	-119.1	-177.1	-169.5	44.2	-35.8	0	0	0	117.5
2198	A	29.4	Very low	34	Very low	94 Å²	94	117.9 Å²	117.9	78%	0.777	78%	0.781	S	S	*	*			trans	-17.1	160.5	150.8	0	0	0	0	0	119.4
2199	A	33.7	Very low	34.2	Very low	105 Å²	105	120.7 Å²	120.7	87%	0.868	79%	0.789	S	S	*	*			cis	-161.4	-134.8	-10.1	0	0	0	0	0	110.2
2200	G	33.4	Very low	34.2	Very low	71 Å²	71	119.9 Å²	119.9	73%	0.732	79%	0.794	S	S	*	*			trans	-92.4	-179.8	-170.7	0	0	0	0	0	116.7
2201	N	30.7	Very low	34.5	Very low	174 Å²	174	120.9 Å²	120.9	93%	0.93	80%	0.801	S	S	*	*	S	Bend	trans	72.6	105	-174.4	-74.1	-13	0	0	0	116.7
2202	G	28.2	Very low	34.7	Very low	88 Å²	88	120.6 Å²	120.6	91%	0.907	81%	0.807	S	S	*	*			trans	80.2	126.6	166.6	0	0	0	0	0	114.4
2203	G	27.3	Very low	34.9	Very low	79 Å²	79	120.6 Å²	120.6	81%	0.814	82%	0.815	S	S	*	*			cis	172.2	162.3	-5.2	0	0	0	0	0	110.7
2204	G	28.9	Very low	34.8	Very low	83 Å²	83	117.9 Å²	117.9	86%	0.856	81%	0.809	S	S	*	*			trans	86.8	157.4	177.8	0	0	0	0	0	115
2205	L	32.6	Very low	34.7	Very low	160 Å²	160	125.3 Å²	125.3	84%	0.838	82%	0.822	S	S	*	*			trans	-117	117	177.3	-73.4	161.7	0	0	0	108.7
2206	L	42.2	Very low	34.9	Very low	159 Å²	159	123.1 Å²	123.1	83%	0.832	81%	0.812	S	S	*	*			trans	66.1	169.4	155.2	-57.4	170.9	0	0	0	116.7
2207	P	44.5	Very low	35.5	Very low	111 Å²	111	126.2 Å²	126.2	72%	0.721	81%	0.813	S	S	*	*			cis	-132.3	-174.5	-35.9	31.2	-11.2	0	0	0	114.6
2208	H	43.1	Very low	35.7	Very low	177 Å²	177	124.2 Å²	124.2	82%	0.819	80%	0.798	S	S	*	*			trans	-40.5	170.3	162	-54.2	-77.7	0	0	0	116.8
2209	P	43.6	Very low	36	Very low	120 Å²	120	126.1 Å²	126.1	78%	0.779	80%	0.803	S	S	*	*			cis	-131	-177	13.6	37.9	-17.8	0	0	0	115.6
2210	V	45.9	Very low	36.1	Very low	141 Å²	141	125.1 Å²	125.1	86%	0.855	79%	0.789	S	S	*	*			trans	-141.6	130.7	-175.3	-175.8	0	0	0	0	112.1
2211	P	38.3	Very low	36	Very low	113 Å²	113	129.5 Å²	129.5	73%	0.734	79%	0.79	S	S	*	*			trans	-119	150.3	174.4	38.9	-28.2	0	0	0	115.3
2212	Q	31.5	Very low	36.3	Very low	205 Å²	205	128.4 Å²	128.4	96%	0.958	78%	0.777	S	S	*	*			trans	56.6	166.5	172.3	-81.9	-177.9	-19.2	0	0	117.6
2213	G	39.3	Very low	37.1	Very low	80 Å²	80	129.7 Å²	129.7	83%	0.825	77%	0.769	S	S	*	*			trans	-152.4	154.4	-178.5	0	0	0	0	0	111.9
2214	G	34.1	Very low	37.3	Very low	65 Å²	65	130 Å²	130	67%	0.67	76%	0.755	S	S	*	*			trans	147.5	91.2	-176.5	0	0	0	0	0	111.6
2215	Y	26.8	Very low	37.8	Very low	233 Å²	233	130.2 Å²	130.2	91%	0.914	74%	0.742	S	S	*	*	S	Bend	trans	63.7	-178.7	167.7	-68.1	-83.3	0	0	0	118	N2217	Y2215-N2217 PolarHBondContact O-N 2.6Å
2216	N	30.1	Very low	37.7	Very low	132 Å²	132	127.8 Å²	127.8	71%	0.706	73%	0.728	S	S	*	*	S	Bend	trans	-51	127.1	178	-59.7	-53.4	0	0	0	112.8
2217	N	41.5	Very low	37.1	Very low	134 Å²	134	126 Å²	126	72%	0.717	73%	0.725	S	S	*	*			trans	68	149.9	138.9	-55.1	-23.2	0	0	0	119.7	Y2215	Y2215-N2217 PolarHBondContact O-N 2.6Å
2218	T	43.8	Very low	36.6	Very low	84 Å²	84	124 Å²	124	52%	0.515	71%	0.713	S	S	.	*			trans	47	113.1	142.9	53.4	0	0	0	0	119.8	C2220	T2218-C2220 PolarHBondContact O-SG 3.18Å
2219	P	35.6	Very low	36.4	Very low	135 Å²	135	123.3 Å²	123.3	88%	0.877	72%	0.715	S	S	*	*	S	Bend		-99.4	80.1	120.8	20.9	-3.8	0	0	0	107
2220	C	36.6	Very low	35.4	Very low	83 Å²	83	122.7 Å²	122.7	56%	0.561	71%	0.714	S	S	*	*				77.6	138.8	84.5	-71.7	0	0	0	0	112	T2218	T2218-C2220 PolarHBondContact O-SG 3.18Å
2221	H	31.1	Very low	34.5	Very low	164 Å²	164	121.2 Å²	121.2	76%	0.759	71%	0.705	S	S	*	*	S	Bend	cis	-144.7	57	27.1	-149.4	-64.1	0	0	0	112.7
2222	F	36.8	Very low	33.9	Very low	151 Å²	151	120.8 Å²	120.8	66%	0.662	71%	0.705	S	S	*	*	S	Bend		69.7	147.4	-128.7	-74.2	-112.4	0	0	0	111.2
2223	P	44.9	Very low	34.1	Very low	114 Å²	114	116 Å²	116	74%	0.74	69%	0.686	S	S	*	*	S	Bend	cis	-122.4	148.5	-6.9	38.2	-25.2	0	0	0	114.2
2224	T	32.3	Very low	33.6	Very low	86 Å²	86	117.6 Å²	117.6	53%	0.528	67%	0.667	S	S	.	*			cis	56.3	174	-22.1	68.7	0	0	0	0	119.2
2225	P	39.4	Very low	33.3	Very low	88 Å²	88	118.8 Å²	118.8	57%	0.571	67%	0.671	S	S	*	*			cis	-106.5	-121.5	-36.9	28.6	-11.2	0	0	0	108.2
2226	I	30.3	Very low	33.6	Very low	108 Å²	108	115.1 Å²	115.1	55%	0.554	67%	0.667	S	S	*	*			trans	71.9	114.1	166.9	-58.8	162.8	0	0	0	111.7	S2228	I2226-S2228 VanDerWaalsContact CG2-OG 3.28Å; I2226-S2228 WeakPolarHBondContact CG2-OG 3.35Å
2227	T	30	Very low	33.8	Very low	123 Å²	123	112 Å²	112	76%	0.755	66%	0.66	S	S	*	*				56.8	170.3	66.8	70.2	0	0	0	0	114.9
2228	S	32.9	Very low	33.9	Very low	67 Å²	67	110.4 Å²	110.4	47%	0.469	66%	0.659	S	S	.	*	S	Bend	trans	44.9	89.5	154.4	50.6	0	0	0	0	118.8	I2226	I2226-S2228 VanDerWaalsContact CG2-OG 3.28Å; I2226-S2228 WeakPolarHBondContact CG2-OG 3.35Å
2229	N	38.8	Very low	33.8	Very low	163 Å²	163	112.2 Å²	112.2	87%	0.872	67%	0.666	S	S	*	*	S	Bend	trans	64.9	-157.3	148.2	-45.1	-41.1	0	0	0	115.3
2230	S	23	Very low	34.2	Very low	107 Å²	107	114.8 Å²	114.8	75%	0.748	66%	0.659	S	S	*	*	S	Bend	trans	-63.1	138.7	143.6	-44.8	0	0	0	0	106.5
2231	V	27.4	Very low	34.3	Very low	111 Å²	111	116.9 Å²	116.9	67%	0.673	67%	0.669	S	S	*	*			cis	-157.4	152.9	49.8	165.9	0	0	0	0	109.6	N2233	V2231-N2233 PolarHBondContact O-N 3.13Å
2232	S	26.1	Very low	34.9	Very low	104 Å²	104	112 Å²	112	73%	0.727	66%	0.664	S	S	*	*			trans	-77.8	106.2	162.3	53.1	0	0	0	0	111.3
2233	N	35.7	Very low	34.6	Very low	104 Å²	104	111.3 Å²	111.3	56%	0.556	67%	0.671	S	S	*	*	S	Bend	trans	-74.2	127.9	161	-87.2	-8	0	0	0	108.4	V2231	V2231-N2233 PolarHBondContact O-N 3.13Å
2234	Y	28.8	Very low	34.2	Very low	113 Å²	113	113.7 Å²	113.7	44%	0.443	68%	0.676	S	S	.	*	S	Bend	cis	-135	155.9	2.5	-108.1	-76.5	0	0	0	112	Y118 S119	Y118-Y2234 HydrophobicContact CD1-CD2 4.48Å; Y118-Y2234 AromaticContact CD1-CE2 3.71Å; Y118-Y2234 HydrophobicContact CD1-CE2 3.71Å; Y118-Y2234 HydrophobicContact CE1-CD2 4.41Å; Y118-Y2234 HydrophobicContact CE1-CE2 4.01Å; Y118-Y2234 HydrophobicContact CG-CE2 4.16Å; S119-Y2234 PolarHBondContact N-OH 2.84Å; S119-Y2234 PolarHBondContact OG-OH 2.93Å
2235	A	27.3	Very low	34.4	Very low	90 Å²	90	113.2 Å²	113.2	74%	0.744	69%	0.688	S	S	*	*			trans	65.7	128.8	172.5	0	0	0	0	0	115.9
2236	N	32.7	Very low	34.1	Very low	156 Å²	156	113.1 Å²	113.1	83%	0.834	70%	0.703	S	S	*	*			cis	-151.7	156.1	-6.8	-164.6	8.2	0	0	0	110.3
2237	A	35.3	Very low	34.2	Very low	67 Å²	67	111 Å²	111	55%	0.554	71%	0.709	S	S	*	*			trans	52.1	105.2	164.3	0	0	0	0	0	116.3
2238	S	43.1	Very low	34.7	Very low	101 Å²	101	113.5 Å²	113.5	71%	0.706	70%	0.704	S	S	*	*				87.4	148.1	96	-69	0	0	0	0	112.6
2239	N	41.1	Very low	35	Very low	122 Å²	122	115.2 Å²	115.2	65%	0.652	71%	0.714	S	S	*	*			cis	179.2	160.3	-1.6	-91.8	-11.5	0	0	0	102
2240	Y	44.8	Very low	34.6	Very low	188 Å²	188	113.9 Å²	113.9	74%	0.737	71%	0.707	S	S	*	*			cis	-146.5	141.1	0.8	-111.5	-169.7	0	0	0	106
2241	V	38.4	Very low	34.9	Very low	127 Å²	127	113.6 Å²	113.6	77%	0.77	70%	0.7	S	S	*	*				80.2	130.9	68.5	172.9	0	0	0	0	113.5
2242	G	44.4	Very low	34.9	Very low	63 Å²	63	113.7 Å²	113.7	65%	0.649	70%	0.697	S	S	*	*			trans	84	99.1	180	0	0	0	0	0	113.8
2243	V	29.9	Very low	35.1	Very low	135 Å²	135	114.9 Å²	114.9	82%	0.818	69%	0.691	S	S	*	*			cis	72.8	143.3	20.8	-160.9	0	0	0	0	114.4
2244	I	36.2	Very low	35	Very low	164 Å²	164	114.6 Å²	114.6	84%	0.841	70%	0.697	S	S	*	*			trans	79.9	116	175.7	-42.9	178.6	0	0	0	114.3
2245	G	37.3	Very low	35	Very low	76 Å²	76	114.6 Å²	114.6	78%	0.784	71%	0.705	S	S	*	*			cis	177.2	163.5	-5.6	0	0	0	0	0	111.9
2246	G	33.3	Very low	36.1	Very low	86 Å²	86	114 Å²	114	89%	0.887	70%	0.701	S	S	*	*			cis	-175.9	158	-2.9	0	0	0	0	0	111
2247	G	31.5	Very low	35.9	Very low	65 Å²	65	111.1 Å²	111.1	67%	0.67	69%	0.688	S	S	*	*			trans	164.1	63.8	-174.6	0	0	0	0	0	114.4
2248	R	41.2	Very low	35.5	Very low	175 Å²	175	112.2 Å²	112.2	66%	0.66	69%	0.688	S	S	*	*			trans	-157.9	162	173.6	-87.8	-143.1	-156.7	164.6	21.6	108.4
2249	P	38	Very low	35.2	Very low	102 Å²	102	118.8 Å²	118.8	66%	0.662	70%	0.697	S	S	*	*			cis	-131.9	-169.8	23.4	41.8	-24.1	0	0	0	115
2250	N	31	Very low	34.7	Very low	135 Å²	135	119.9 Å²	119.9	72%	0.722	70%	0.699	S	S	*	*			trans	42	116.6	139.6	-69.8	18.3	0	0	0	119.1
2251	T	29.1	Very low	34.1	Very low	101 Å²	101	121.2 Å²	121.2	62%	0.62	70%	0.702	S	S	*	*				105.9	159.6	74.8	-64.7	0	0	0	0	107.6
2252	D	27.7	Very low	34.2	Very low	114 Å²	114	118.4 Å²	118.4	61%	0.61	70%	0.699	S	S	*	*			trans	70.2	138	173.4	-63.8	-41.6	0	0	0	118.7	S2254	D2252-S2254 PolarHBondContact O-N 2.99Å
2253	H	30.9	Very low	33.4	Very low	128 Å²	128	121.8 Å²	121.8	59%	0.593	70%	0.702	S	S	*	*			trans	42.8	73.9	151.4	-45.9	-23.2	0	0	0	115.6	A1461	A1461-H2253 PolarHBondContact O-CD2 2.94Å
2254	S	33.3	Very low	33.3	Very low	98 Å²	98	122.1 Å²	122.1	69%	0.685	70%	0.695	S	S	*	*				-148.2	138.7	76.9	56.4	0	0	0	0	113	D2252	D2252-S2254 PolarHBondContact O-N 2.99Å
2255	N	28.1	Very low	32.9	Very low	113 Å²	113	121.2 Å²	121.2	60%	0.604	69%	0.686	S	S	*	*			cis	53.2	48.5	7.6	-161	26.9	0	0	0	114.6
2256	A	50.2	Low	32.5	Very low	79 Å²	79	123.9 Å²	123.9	65%	0.653	68%	0.678	S	S	*	*			trans	-160.4	80.6	163.9	0	0	0	0	0	110.3
2257	T	28.3	Very low	32.2	Very low	94 Å²	94	125.3 Å²	125.3	58%	0.577	67%	0.666	S	S	*	*			cis	65.5	131.9	14.2	-32	0	0	0	0	112.6
2258	V	27.6	Very low	32.2	Very low	91 Å²	91	128 Å²	128	55%	0.552	66%	0.664	S	S	*	*	S	Bend	trans	52	118.7	140.8	166.3	0	0	0	0	118	Q2260	V2258-Q2260 HydrophobicContact CG1-CG 4.08Å; V2258-Q2260 PolarHBondContact O-N 3.38Å
2259	R	36.3	Very low	31.5	Very low	238 Å²	238	126.7 Å²	126.7	90%	0.898	66%	0.663	S	S	*	*				46.9	33.6	77.1	-71.2	-178.4	142.1	-139.6	-0.3	114.9
2260	Q	31.3	Very low	31.6	Very low	146 Å²	146	127.1 Å²	127.1	68%	0.682	67%	0.666	S	S	*	*			trans	-79.8	119	157.9	-62.9	-159.1	-1.1	0	0	107.6	V2258	V2258-Q2260 HydrophobicContact CG1-CG 4.08Å; V2258-Q2260 PolarHBondContact O-N 3.38Å
2261	R	31.5	Very low	31.4	Very low	215 Å²	215	127.2 Å²	127.2	81%	0.811	66%	0.662	S	S	*	*				68	40	57.5	-60.3	-171.6	-173	-165.1	4.6	113.5
2262	G	40.8	Very low	32.2	Very low	69 Å²	69	127.4 Å²	127.4	71%	0.711	67%	0.665	S	S	*	*				-70.2	122.3	104.9	0	0	0	0	0	106.6
2263	L	28.6	Very low	32.4	Very low	134 Å²	134	127.3 Å²	127.3	70%	0.702	66%	0.664	S	S	*	*			cis	47.9	103.7	32.7	-80.5	179	0	0	0	111.9
2264	Q	26.6	Very low	32.3	Very low	142 Å²	142	128.8 Å²	128.8	66%	0.664	68%	0.676	S	S	*	*			trans	64.3	133.2	143.8	-59.5	177.2	-71.4	0	0	115.6
2265	H	27.6	Very low	32.4	Very low	144 Å²	144	128.5 Å²	128.5	67%	0.667	67%	0.671	S	S	*	*				33	118.6	88.8	-41.7	-89.5	0	0	0	111.8
2266	H	29.2	Very low	32.6	Very low	132 Å²	132	130.9 Å²	130.9	61%	0.611	68%	0.679	S	S	*	*				-151.8	105.3	53.9	-85.6	-71.7	0	0	0	113.7	L2268	H2266-L2268 HydrophobicContact CB-CD1 4.2Å
2267	N	28.3	Very low	31.5	Very low	117 Å²	117	132.3 Å²	132.3	63%	0.626	68%	0.684	S	S	*	*			trans	41.7	-144.6	134.2	33.7	-92.6	0	0	0	116.9
2268	L	30.1	Very low	32	Very low	121 Å²	121	133 Å²	133	63%	0.634	69%	0.69	S	S	*	*			trans	49.5	110.5	169.6	-51.1	114.7	0	0	0	117.7	H2266	H2266-L2268 HydrophobicContact CB-CD1 4.2Å
2269	F	26.8	Very low	32.3	Very low	148 Å²	148	133.6 Å²	133.6	65%	0.649	70%	0.699	S	S	*	*			cis	-160	153.4	-13.4	-104.6	-75.2	0	0	0	104	H2271	F2269-H2271 HydrophobicContact CD1-CB 3.8Å; F2269-H2271 AromaticContact CD1-CD2 4Å; F2269-H2271 HydrophobicContact CE1-CB 3.77Å; F2269-H2271 AromaticContact CE1-CD2 3.57Å; F2269-H2271 AromaticContact CE1-CG 3.95Å
2270	P	40	Very low	32.2	Very low	110 Å²	110	125.8 Å²	125.8	71%	0.714	69%	0.685	S	S	*	*				-123.1	163.1	50.8	10.5	14.6	0	0	0	112.9
2271	H	28.2	Very low	32.4	Very low	137 Å²	137	127.9 Å²	127.9	63%	0.634	70%	0.695	S	S	*	*			cis	6.5	110.2	21.2	-51.7	-99.5	0	0	0	117.4	F2269	F2269-H2271 HydrophobicContact CD1-CB 3.8Å; F2269-H2271 AromaticContact CD1-CD2 4Å; F2269-H2271 HydrophobicContact CE1-CB 3.77Å; F2269-H2271 AromaticContact CE1-CD2 3.57Å; F2269-H2271 AromaticContact CE1-CG 3.95Å
2272	P	45	Very low	33	Very low	106 Å²	106	120.8 Å²	120.8	69%	0.688	69%	0.688	S	S	*	*				-72.8	134.2	64.4	-30.9	39.4	0	0	0	114.7
2273	N	32.1	Very low	32.5	Very low	112 Å²	112	125.7 Å²	125.7	60%	0.599	69%	0.692	S	S	*	*				62.3	117.5	67.4	-58	-18.2	0	0	0	110
2274	L	29.4	Very low	33	Very low	158 Å²	158	126.3 Å²	126.3	83%	0.827	69%	0.692	S	S	*	*				60.8	138.9	68.9	-64	163.6	0	0	0	111.4
2275	P	35.2	Very low	33.7	Very low	92 Å²	92	124.5 Å²	124.5	60%	0.597	70%	0.695	S	S	*	*			cis	-138.3	174.5	20.8	43.9	-27.1	0	0	0	116.6
2276	Q	31.1	Very low	34.2	Very low	164 Å²	164	125 Å²	125	77%	0.766	70%	0.696	S	S	*	*			trans	56.8	120	135.5	-74.2	154.7	1	0	0	121.6
2277	S	28.2	Very low	34.8	Very low	108 Å²	108	126.6 Å²	126.6	76%	0.755	70%	0.703	S	S	*	*				82.9	155.1	122	-67.2	0	0	0	0	120
2278	P	39	Very low	34.9	Very low	108 Å²	108	128.3 Å²	128.3	70%	0.701	71%	0.711	S	S	*	*			cis	-135.4	-179.9	-18.6	36.9	-18.8	0	0	0	115.3
2279	S	33.7	Very low	35.6	Very low	105 Å²	105	127.7 Å²	127.7	73%	0.734	72%	0.715	S	S	*	*			trans	70.4	-178	141.4	79.1	0	0	0	0	120.3
2280	A	34.3	Very low	36.1	Very low	74 Å²	74	125.8 Å²	125.8	61%	0.612	72%	0.72	S	S	*	*			trans	59.4	104.8	178.1	0	0	0	0	0	115.6
2281	Q	35.3	Very low	36	Very low	190 Å²	190	125.9 Å²	125.9	89%	0.888	72%	0.723	S	S	*	*				62.4	128.8	59.7	-53.7	159.7	-63.3	0	0	112
2282	G	43.7	Very low	36.4	Very low	65 Å²	65	127.8 Å²	127.8	67%	0.67	73%	0.73	S	S	*	*			cis	-140	-171.2	8.9	0	0	0	0	0	114.9
2283	Q	30.6	Very low	36	Very low	172 Å²	172	133.7 Å²	133.7	80%	0.804	74%	0.74	S	S	*	*			cis	55.7	124.8	34.5	-83.7	-161.6	27	0	0	111.2
2284	Q	38.5	Very low	36.3	Very low	147 Å²	147	132.3 Å²	132.3	69%	0.687	74%	0.737	S	S	*	*			cis	-133.9	168.8	8.1	-57	-176.1	-8.4	0	0	107.2
2285	S	41.8	Very low	37	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	73%	0.733	S	S	*	*			cis	-157.6	158.1	37.6	35.5	0	0	0	0	114.4
2286	F	37.4	Very low	37.4	Very low	156 Å²	156	132.9 Å²	132.9	68%	0.684	74%	0.743	S	S	*	*			trans	-1.9	141	151.2	-50.2	-84.7	0	0	0	118.2
2287	Q	43.2	Very low	37.8	Very low	165 Å²	165	129.9 Å²	129.9	77%	0.771	74%	0.74	S	S	*	*			cis	-159.7	142.6	7.2	-111.7	152.5	-16.8	0	0	106.7
2288	L	29.8	Very low	38.3	Very low	152 Å²	152	129.7 Å²	129.7	80%	0.796	74%	0.736	S	S	*	*			cis	66.2	138.9	35.9	-64.6	177.7	0	0	0	115.4
2289	P	43.8	Very low	38.2	Very low	109 Å²	109	127.9 Å²	127.9	71%	0.708	73%	0.726	S	S	*	*				-133.4	-166.8	-55.1	35.4	-15	0	0	0	110
2290	S	38.8	Very low	38.9	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	73%	0.731	S	S	*	*				169	151.9	80.2	49.6	0	0	0	0	112.4
2291	S	37.2	Very low	39.2	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	73%	0.734	S	S	*	*			trans	-139.3	103.8	160.6	46.1	0	0	0	0	109.8
2292	F	36.7	Very low	39.3	Very low	177 Å²	177	135.9 Å²	135.9	78%	0.776	73%	0.73	S	S	*	*			trans	-130.3	136	160.7	-81.4	-107.1	0	0	0	104.5	P2294	F2292-P2294 HydrophobicContact CD1-CG 3.94Å; F2292-P2294 HydrophobicContact CE1-CG 4.15Å
2293	Y	36.6	Very low	39.1	Very low	230 Å²	230	138.6 Å²	138.6	90%	0.902	73%	0.733	S	S	*	*			cis	-112.1	131.1	40.9	-90.6	-106.7	0	0	0	116
2294	P	39	Very low	39.4	Very low	82 Å²	82	134.8 Å²	134.8	53%	0.532	73%	0.725	S	S	.	*			trans	-96.4	158.1	160.1	38.1	-32.2	0	0	0	111.8	F2292	F2292-P2294 HydrophobicContact CD1-CG 3.94Å; F2292-P2294 HydrophobicContact CE1-CG 4.15Å
2295	S	42.8	Very low	39.5	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	73%	0.729	S	S	*	*			trans	-179.3	153.6	148.7	31	0	0	0	0	110.4
2296	I	44.1	Very low	39.4	Very low	158 Å²	158	137.2 Å²	137.2	81%	0.81	73%	0.729	S	S	*	*			cis	-163.9	142.3	-17.2	-106.5	160.8	0	0	0	103.4
2297	S	39.5	Very low	39.4	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	72%	0.723	S	S	*	*			cis	-153.2	167	-6	-105.3	0	0	0	0	109.8
2298	P	38.8	Very low	39.1	Very low	105 Å²	105	136.7 Å²	136.7	68%	0.682	73%	0.726	S	S	*	*			trans	-92.9	-179.2	-171.7	39.3	-38.1	0	0	0	113.3
2299	S	37	Very low	39.3	Very low	69 Å²	69	133.2 Å²	133.2	48%	0.483	73%	0.726	S	S	.	*	S	Bend	trans	-58.8	143.1	149.5	54.4	0	0	0	0	110.4	Q2301	S2299-Q2301 WeakPolarHBondContact O-CA 3.22Å; S2299-Q2301 PolarHBondContact O-N 3.24Å
2300	H	47.1	Very low	38.8	Very low	185 Å²	185	131.2 Å²	131.2	86%	0.856	73%	0.726	S	S	*	*	S	Bend	trans	-67	118.6	151.5	-67.8	-123.4	0	0	0	106.9
2301	Q	41.6	Very low	38.6	Very low	142 Å²	142	132.7 Å²	132.7	66%	0.664	73%	0.73	S	S	*	*			cis	-161.3	151.2	-9.5	-129.8	-178.8	18.3	0	0	110.2	S2299	S2299-Q2301 WeakPolarHBondContact O-CA 3.22Å; S2299-Q2301 PolarHBondContact O-N 3.24Å
2302	R	38.3	Very low	38.3	Very low	211 Å²	211	132.6 Å²	132.6	80%	0.796	73%	0.73	S	S	*	*			trans	69.7	131	149	-78.9	-177.4	174.5	-93	0.5	123.9
2303	V	38.2	Very low	37.9	Very low	122 Å²	122	135 Å²	135	74%	0.739	73%	0.734	S	S	*	*			trans	87.8	167.5	130.7	174.6	0	0	0	0	119.1
2304	S	37.7	Very low	37.6	Very low	92 Å²	92	127.4 Å²	127.4	64%	0.643	72%	0.718	S	S	*	*			trans	-165.7	162.1	-130.6	51.4	0	0	0	0	114.1
2305	L	40.6	Very low	37.2	Very low	145 Å²	145	127 Å²	127	76%	0.759	72%	0.722	S	S	*	*			trans	157.6	140.5	152.2	-103.2	59.4	0	0	0	107.2
2306	Q	39.4	Very low	37.1	Very low	157 Å²	157	128.6 Å²	128.6	73%	0.734	72%	0.721	S	S	*	*				71.5	135.3	50.3	-85.2	178.6	-44.2	0	0	114.6
2307	Q	37.4	Very low	36.2	Very low	121 Å²	121	127.6 Å²	127.6	57%	0.565	72%	0.722	S	S	*	*			cis	-163.9	161.4	-5.5	-163.4	167.8	-32.6	0	0	111.4
2308	F	37	Very low	36	Very low	189 Å²	189	126.2 Å²	126.2	83%	0.829	72%	0.724	S	S	*	*			trans	66.1	146.7	173.8	-53.2	-77.3	0	0	0	117.5
2309	G	33.7	Very low	35.6	Very low	78 Å²	78	126.5 Å²	126.5	80%	0.804	73%	0.726	S	S	*	*			cis	174.8	123.2	-11.1	0	0	0	0	0	113.5
2310	G	33.2	Very low	35.4	Very low	67 Å²	67	129.2 Å²	129.2	69%	0.691	73%	0.733	S	S	*	*			trans	113.9	134.4	168.7	0	0	0	0	0	116.1
2311	T	34.4	Very low	34.5	Very low	138 Å²	138	127.7 Å²	127.7	85%	0.847	73%	0.731	S	S	*	*	S	Bend	trans	70.2	153.4	179.4	77.9	0	0	0	0	117.8
2312	S	30.2	Very low	34.3	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	73%	0.727	S	S	*	*	S	Bend	trans	36.5	113.6	144.9	-61.2	0	0	0	0	120.9
2313	R	29.1	Very low	34	Very low	228 Å²	228	122.1 Å²	122.1	86%	0.86	72%	0.722	S	S	*	*			trans	66.4	106.4	177.7	-74.5	-179.1	166.7	-177.6	-5.3	112.8
2314	A	30.5	Very low	34	Very low	69 Å²	69	121.4 Å²	121.4	57%	0.57	71%	0.714	S	S	*	*				65.2	87.4	83.9	0	0	0	0	0	112	I2316	A2314-I2316 HydrophobicContact CB-CD1 4.18Å; A2314-I2316 HydrophobicContact CB-CG1 4.26Å; A2314-I2316 WeakPolarHBondContact O-CB 3.31Å
2315	A	31.3	Very low	34.1	Very low	73 Å²	73	118.6 Å²	118.6	60%	0.603	70%	0.7	S	S	*	*			trans	-71.1	136.1	137	0	0	0	0	0	107.4
2316	I	39.6	Very low	33.8	Very low	139 Å²	139	114.8 Å²	114.8	71%	0.713	68%	0.68	S	S	*	*			cis	55.6	66	-14.2	-38.6	179.3	0	0	0	115.7	A2314	A2314-I2316 HydrophobicContact CB-CD1 4.18Å; A2314-I2316 HydrophobicContact CB-CG1 4.26Å; A2314-I2316 WeakPolarHBondContact O-CB 3.31Å
2317	T	25.9	Very low	33.5	Very low	137 Å²	137	113.1 Å²	113.1	84%	0.84	67%	0.668	S	S	*	*			trans	-156.6	75.6	138	29.4	0	0	0	0	109.6
2318	G	34.1	Very low	33.6	Very low	71 Å²	71	108.6 Å²	108.6	73%	0.732	65%	0.654	S	S	*	*			trans	-137.9	104.4	172.6	0	0	0	0	0	109.5
2319	P	30.8	Very low	33.9	Very low	112 Å²	112	103.6 Å²	103.6	73%	0.727	64%	0.64	S	S	*	*			trans	-98.4	178.9	-170.3	38	-35.8	0	0	0	113.7
2320	I	33	Very low	34.3	Very low	125 Å²	125	103.6 Å²	103.6	64%	0.641	63%	0.633	S	S	*	*			trans	72.4	123	173.6	-50.3	167.3	0	0	0	112
2321	N	28.6	Very low	34.6	Very low	153 Å²	153	106.6 Å²	106.6	82%	0.818	63%	0.627	S	S	*	*			cis	46	105.7	8.5	-159.8	38.6	0	0	0	116.4
2322	P	36.6	Very low	35	Very low	89 Å²	89	103.6 Å²	103.6	58%	0.578	62%	0.624	S	S	*	*			cis	-143.7	-179.4	34	43.4	-24.5	0	0	0	118
2323	Q	33.2	Very low	35.2	Very low	147 Å²	147	101.3 Å²	101.3	69%	0.687	62%	0.618	S	S	*	*			trans	97.6	120.9	150.9	-67.7	-175.3	31.5	0	0	123.5	Q1149	Q1149-Q2323 VanDerWaalsContact NE2-C 3.31Å; Q1149-Q2323 PolarHBondContact NE2-O 3.47Å
2324	N	37.5	Very low	36.2	Very low	108 Å²	108	93.2 Å²	93.2	58%	0.578	60%	0.6	S	S	*	*			trans	67.7	111.5	133.5	-64.4	-36	0	0	0	124.4	Q1149	Q1149-N2324 VanDerWaalsContact CD-N 3.35Å; Q1149-N2324 VanDerWaalsContact NE2-N 3.19Å; Q1149-N2324 PolarHBondContact NE2-O 3.24Å
2325	G	39.3	Very low	36.4	Very low	33 Å²	33	93.5 Å²	93.5	34%	0.34	60%	0.598	S	S	.	*			trans	138.9	107.4	160	0	0	0	0	0	112.6	Q1149	Q1149-G2325 VanDerWaalsContact CG-O 3.31Å; Q1149-G2325 WeakPolarHBondContact CG-O 3.36Å
2326	L	34.7	Very low	36.7	Very low	65 Å²	65	95.5 Å²	95.5	34%	0.34	59%	0.594	S	S	.	*				50.8	119.5	63.5	-60.9	172.3	0	0	0	111.9	Q379	Q379-L2326 HydrophobicContact CB-CD2 4.45Å
2327	Y	34.3	Very low	36.5	Very low	121 Å²	121	93.3 Å²	93.3	48%	0.475	59%	0.589	S	S	.	*			cis	-137.1	-167.3	16.3	-83.3	-110.3	0	0	0	111.8	F380 M381 N382	F380-Y2327 HydrophobicContact CB-CD1 3.56Å; F380-Y2327 HydrophobicContact CB-CE1 3.58Å; F380-Y2327 HydrophobicContact CB-CG 4.37Å; F380-Y2327 AromaticContact CD1-CD1 3.6Å; F380-Y2327 HydrophobicContact CD1-CD1 3.6Å; F380-Y2327 AromaticContact CD1-CE1 3.56Å; F380-Y2327 HydrophobicContact CD1-CE1 3.56Å; F380-Y2327 HydrophobicContact CD2-CD1 4.16Å; F380-Y2327 AromaticContact CD2-CE1 3.36Å; F380-Y2327 HydrophobicContact CD2-CE1 3.36Å; F380-Y2327 HydrophobicContact CE1-CD1 4.26Å; F380-Y2327 AromaticContact CE1-CE1 3.99Å; F380-Y2327 HydrophobicContact CE1-CE1 3.99Å; F380-Y2327 AromaticContact CE2-CE1 3.82Å; F380-Y2327 HydrophobicContact CE2-CE1 3.82Å; F380-Y2327 AromaticContact CG-CD1 3.53Å; F380-Y2327 HydrophobicContact CG-CD1 3.53Å; F380-Y2327 AromaticContact CG-CE1 3.21Å; F380-Y2327 HydrophobicContact CG-CE1 3.21Å; F380-Y2327 HydrophobicContact CZ-CE1 4.1Å; M381-Y2327 HydrophobicContact CB-CD1 4.48Å; M381-Y2327 CarbonylContact O-C 3.21Å; M381-Y2327 VanDerWaalsContact O-CA 3.25Å; M381-Y2327 WeakPolarHBondContact O-CA 3.25Å; M381-Y2327 HydrophobicContact SD-CD1 3.76Å; M381-Y2327 HydrophobicContact SD-CG 4.36Å; N382-Y2327 VanDerWaalsContact CB-O 3.28Å; N382-Y2327 WeakPolarHBondContact CB-O 3.13Å; N382-Y2327 PolarHBondContact ND2-O 2.89Å
2328	G	38.6	Very low	37	Very low	27 Å²	27	92 Å²	92	28%	0.278	58%	0.583	S	S	.	*			trans	-167.3	-137.2	-159.1	0	0	0	0	0	123.5	M381 N382	M381-G2328 WeakPolarHBondContact CE-O 3.03Å; M381-G2328 VanDerWaalsContact CG-CA 3.46Å; M381-G2328 VanDerWaalsContact CG-N 3.31Å; M381-G2328 PolarHBondContact O-N 3.32Å; M381-G2328 VanDerWaalsContact O-N 3.16Å; M381-G2328 PolarHBondContact SD-N 2.9Å; N382-G2328 VanDerWaalsContact CB-CA 3.43Å; N382-G2328 WeakPolarHBondContact ND2-CA 3.48Å; N382-G2328 WeakPolarHBondContact OD1-CA 3.46Å
2329	P	44.3	Very low	37.3	Very low	83 Å²	83	95.2 Å²	95.2	54%	0.539	58%	0.583	S	S	.	*			cis	-134.8	168.8	29.9	26.1	-1.4	0	0	0	120.4	M381	M381-P2329 HydrophobicContact CB-CB 4.19Å; M381-P2329 HydrophobicContact CE-CG 4.21Å; M381-P2329 HydrophobicContact CG-CB 3.43Å; M381-P2329 VanDerWaalsContact CG-CB 3.43Å; M381-P2329 HydrophobicContact CG-CG 3.83Å
2330	A	41.6	Very low	37.4	Very low	79 Å²	79	94.4 Å²	94.4	65%	0.653	57%	0.57	S	S	*	*			trans	40.9	113.7	140.2	0	0	0	0	0	123.7
2331	F	38.1	Very low	37.2	Very low	129 Å²	129	90.1 Å²	90.1	57%	0.566	55%	0.553	S	S	*	*			trans	-94.4	175.3	151.5	-95.2	-123.1	0	0	0	110.5	V384 T385	V384-F2331 HydrophobicContact CG2-CE2 4.19Å; V384-F2331 HydrophobicContact CG2-CZ 4.42Å; T385-F2331 HydrophobicContact CG2-CD1 3.72Å; T385-F2331 HydrophobicContact CG2-CE1 4.09Å; T385-F2331 WeakPolarHBondContact OG1-CD1 3.28Å; T385-F2331 WeakPolarHBondContact OG1-CE1 3.23Å
2332	G	43.3	Very low	37.3	Very low	76 Å²	76	85.3 Å²	85.3	78%	0.784	53%	0.53	S	S	*	.			cis	144.3	-142.6	4.8	0	0	0	0	0	109.4
2333	G	34.2	Very low	37.5	Very low	63 Å²	63	83.9 Å²	83.9	65%	0.649	52%	0.52	S	S	*	.			trans	166.4	133.1	166.6	0	0	0	0	0	116.2
2334	A	51.3	Low	37.9	Very low	58 Å²	58	81.3 Å²	81.3	48%	0.479	52%	0.516	S	S	.	.			trans	-160.3	113.4	168.6	0	0	0	0	0	110.3	T385 S386 P387	T385-A2334 HydrophobicContact CG2-CB 4.1Å; S386-A2334 WeakPolarHBondContact CB-O 3.41Å; S386-A2334 WeakPolarHBondContact OG-CA 3.27Å; S386-A2334 PolarHBondContact OG-N 3.08Å; S386-A2334 PolarHBondContact OG-O 3.34Å; P387-A2334 WeakPolarHBondContact CB-O 3.38Å
2335	S	35.1	Very low	38.2	Very low	76 Å²	76	81.1 Å²	81.1	53%	0.531	52%	0.521	S	S	.	.			trans	66.4	167.5	-171	80.7	0	0	0	0	115.8	P387	P387-S2335 WeakPolarHBondContact CB-OG 3.08Å; P387-S2335 WeakPolarHBondContact CG-OG 2.91Å
2336	H	37.1	Very low	37.9	Very low	114 Å²	114	86.2 Å²	86.2	53%	0.528	54%	0.539	S	S	.	.			trans	66.4	121.4	-162.4	-126.2	38.5	0	0	0	116.2	P387 G388 V389	P387-H2336 HydrophobicContact CB-CB 4.18Å; G388-H2336 VanDerWaalsContact N-CG 3.33Å; G388-H2336 PolarHBondContact O-CE1 3.05Å; G388-H2336 PolarHBondContact O-ND1 2.95Å; G388-H2336 VanDerWaalsContact O-ND1 3.12Å; V389-H2336 PolarHBondContact O-ND1 2.71Å
2337	P	34.8	Very low	37.9	Very low	94 Å²	94	85.7 Å²	85.7	61%	0.61	55%	0.549	S	S	*	.			cis	-115.1	153.3	-15.1	35.3	-21.4	0	0	0	113.5	N2339	P2337-N2339 PolarHBondContact O-N 2.74Å
2338	P	37.5	Very low	37.7	Very low	108 Å²	108	88 Å²	88	70%	0.701	56%	0.564	S	S	*	*			trans	-62	120.7	154.6	29.3	-31.5	0	0	0	107.7
2339	N	39.6	Very low	37.4	Very low	140 Å²	140	94.1 Å²	94.1	75%	0.749	59%	0.585	S	S	*	*			trans	-147.1	148.8	159.3	-138.8	-22	0	0	0	113.1	P2337	P2337-N2339 PolarHBondContact O-N 2.74Å
2340	Q	32.9	Very low	36.8	Very low	94 Å²	94	94 Å²	94	44%	0.439	58%	0.58	S	S	.	*			trans	-69.6	162.6	168.7	-56.2	165.1	19.5	0	0	108.6	H1295	H1295-Q2340 VanDerWaalsContact C-NE2 3.3Å; H1295-Q2340 PolarHBondContact O-NE2 3.09Å
2341	A	28.4	Very low	36.3	Very low	36 Å²	36	92.1 Å²	92.1	30%	0.298	56%	0.558	S	S	.	*			cis	-170.6	-154.5	-22.2	0	0	0	0	0	104.8	I1294	I1294-A2341 HydrophobicContact CG1-CB 4.43Å; I1294-A2341 HydrophobicContact CG2-CB 3.7Å
2342	T	31.4	Very low	36.4	Very low	52 Å²	52	90.1 Å²	90.1	32%	0.319	56%	0.558	S	S	.	*			trans	77.3	146.1	164.8	-39.1	0	0	0	0	114.7	T1132 N1133 G1134	T1132-T2342 CarbonylContact C-O 3.31Å; T1132-T2342 CarbonylContact O-C 3.1Å; T1132-T2342 VanDerWaalsContact O-O 3.06Å; N1133-T2342 CarbonylContact C-O 3.35Å; N1133-T2342 WeakPolarHBondContact CA-O 3.12Å; N1133-T2342 PolarHBondContact N-O 2.78Å; G1134-T2342 PolarHBondContact N-O 3.06Å; G1134-T2342 CarbonylContact O-C 3.56Å; G1134-T2342 VanDerWaalsContact O-O 3.05Å
2343	P	40.1	Very low	35.7	Very low	58 Å²	58	91.2 Å²	91.2	38%	0.377	55%	0.545	S	S	.	.			trans	-121.5	-151.7	-170.8	43.5	-25	0	0	0	110.3	T1132	T1132-P2343 VanDerWaalsContact OG1-CB 3.22Å; T1132-P2343 WeakPolarHBondContact OG1-CB 2.97Å
2344	P	42.5	Very low	35.6	Very low	94 Å²	94	90.2 Å²	90.2	61%	0.61	54%	0.535	S	S	*	.			cis	-121.7	-99.2	-14.7	19.9	6.2	0	0	0	113.9
2345	P	44.2	Very low	34.5	Very low	103 Å²	103	92.7 Å²	92.7	67%	0.669	54%	0.535	S	S	*	.			trans	-117.6	-153	-148.3	34.7	-10.4	0	0	0	111.7
2346	I	32.3	Very low	34.4	Very low	141 Å²	141	94.9 Å²	94.9	72%	0.723	53%	0.533	S	S	*	.			trans	67.9	93.1	173.3	-50.4	170	0	0	0	112.6
2347	G	33.6	Very low	34.2	Very low	54 Å²	54	92.1 Å²	92.1	56%	0.557	53%	0.526	S	S	*	.				114.2	115.5	91.5	0	0	0	0	0	117.3
2348	H	31.2	Very low	34	Very low	169 Å²	169	94.3 Å²	94.3	78%	0.782	53%	0.533	S	S	*	.			trans	75.4	136.9	131.7	-54.9	-63.7	0	0	0	119.8
2349	Q	32.2	Very low	33.8	Very low	156 Å²	156	96.4 Å²	96.4	73%	0.729	53%	0.533	S	S	*	.			trans	70.8	146.8	156.7	-63.4	176.9	15	0	0	115.6
2350	L	30.9	Very low	33.5	Very low	81 Å²	81	97.3 Å²	97.3	42%	0.424	53%	0.531	S	S	.	.			cis	-148.9	-173.8	-7.7	-118.2	165.1	0	0	0	110.5	H2161 I2163	H2161-L2350 HydrophobicContact CB-CD2 3.7Å; I2163-L2350 HydrophobicContact CD1-CD1 3.88Å; I2163-L2350 HydrophobicContact CD1-CD2 3.85Å
2351	N	31.7	Very low	33.6	Very low	38 Å²	38	97.1 Å²	97.1	20%	0.203	53%	0.53	C	S	.	.			trans	-141.1	160.4	175.8	-86	-56.1	0	0	0	105.4	G2159 R2160 H2161	G2159-N2351 PolarHBondContact O-ND2 2.77Å; R2160-N2351 HydrophobicContact CB-CB 3.9Å; R2160-N2351 HydrophobicContact CG-CB 4.43Å; R2160-N2351 PolarHBondContact NE-OD1 3.04Å; R2160-N2351 PolarHBondContact NH1-OD1 3.04Å; H2161-N2351 HydrophobicContact CB-CB 3.86Å; H2161-N2351 PolarHBondContact CD2-ND2 2.64Å
2352	P	40.3	Very low	33.6	Very low	87 Å²	87	100.6 Å²	100.6	57%	0.565	54%	0.537	S	S	*	.				-146.8	-154.9	56.7	43	-21.5	0	0	0	114.6	R2160	R2160-P2352 PolarHBondContact NH1-O 3.44Å; R2160-P2352 PolarHBondContact NH2-O 2.78Å
2353	I	28.7	Very low	34	Very low	99 Å²	99	101.5 Å²	101.5	51%	0.508	54%	0.543	S	S	.	.			trans	-55.6	148.8	-177.7	-68.3	102.7	0	0	0	112.6	C365 R2160 F2355	C365-I2353 WeakPolarHBondContact SG-CG2 3.27Å; R2160-I2353 HydrophobicContact CB-CD1 4.12Å; R2160-I2353 HydrophobicContact CG-CD1 4.05Å; I2353-F2355 HydrophobicContact CG2-CE2 4.42Å
2354	G	31.5	Very low	34.3	Very low	43 Å²	43	101.6 Å²	101.6	44%	0.443	55%	0.545	S	S	.	.			trans	141.2	143.7	175.6	0	0	0	0	0	112.2
2355	F	28.6	Very low	34.1	Very low	109 Å²	109	101.3 Å²	101.3	48%	0.478	53%	0.532	S	S	.	.			cis	107.6	142.5	10.4	-61.6	-153.1	0	0	0	113.1	C365 I367 I2353	C365-F2355 VanDerWaalsContact CA-CB 3.42Å; C365-F2355 VanDerWaalsContact CA-CE1 3.49Å; C365-F2355 HydrophobicContact CB-CB 3.62Å; C365-F2355 HydrophobicContact CB-CD1 2.35Å; C365-F2355 HydrophobicContact CB-CD2 2.33Å; C365-F2355 HydrophobicContact CB-CE1 2.35Å; C365-F2355 HydrophobicContact CB-CE2 2.35Å; C365-F2355 HydrophobicContact CB-CG 2.35Å; C365-F2355 HydrophobicContact CB-CZ 2.35Å; C365-F2355 VanDerWaalsContact N-CG 3.33Å; C365-F2355 WeakPolarHBondContact SG-CD1 3.26Å; C365-F2355 WeakPolarHBondContact SG-CD2 3.03Å; C365-F2355 WeakPolarHBondContact SG-CE1 3.18Å; C365-F2355 WeakPolarHBondContact SG-CE2 3.11Å; C365-F2355 WeakPolarHBondContact SG-CG 3.26Å; C365-F2355 WeakPolarHBondContact SG-CZ 3.43Å; I367-F2355 VanDerWaalsContact N-C 3.3Å; I367-F2355 VanDerWaalsContact N-CA 3.35Å; I2353-F2355 HydrophobicContact CG2-CE2 4.42Å
2356	Y	32.6	Very low	33.9	Very low	122 Å²	122	99.7 Å²	99.7	48%	0.478	52%	0.522	S	S	.	.			cis	-126.7	167.8	13.8	-131.2	-94.1	0	0	0	113.8	I362 N363 T364 G366 I367 T368	I362-Y2356 PolarHBondContact O-OH 3.45Å; I362-Y2356 VanDerWaalsContact O-OH 3.06Å; N363-Y2356 PolarHBondContact O-OH 2.94Å; T364-Y2356 VanDerWaalsContact O-CD1 3.22Å; T364-Y2356 WeakPolarHBondContact O-CD1 3.26Å; T364-Y2356 WeakPolarHBondContact O-CE1 3.45Å; G366-Y2356 CarbonylContact C-O 3.46Å; G366-Y2356 VanDerWaalsContact C-O 3.26Å; G366-Y2356 CarbonylContact O-C 2.7Å; I367-Y2356 CarbonylContact C-O 2.87Å; I367-Y2356 PolarHBondContact N-O 2.86Å; T368-Y2356 PolarHBondContact N-O 3.02Å
2357	S	34.1	Very low	34	Very low	56 Å²	56	97.1 Å²	97.1	39%	0.392	51%	0.509	S	S	.	.			trans	-71	142.9	-162.2	-58.1	0	0	0	0	120.4	T364 C365 G366	T364-S2357 PolarHBondContact O-OG 3.41Å; C365-S2357 PolarHBondContact O-OG 2.91Å; G366-S2357 PolarHBondContact N-OG 3.07Å; G366-S2357 WeakPolarHBondContact O-CA 3.14Å
2358	N	30.5	Very low	34.6	Very low	141 Å²	141	96.9 Å²	96.9	75%	0.754	51%	0.507	S	S	*	.			trans	78.6	147.3	136.7	-115.7	-25.2	0	0	0	123.6
2359	Q	32.4	Very low	35.2	Very low	151 Å²	151	96.3 Å²	96.3	71%	0.706	51%	0.508	S	S	*	.			trans	79.3	132.1	153.8	-74.7	-168.8	5.1	0	0	124.2
2360	F	34.2	Very low	35.4	Very low	159 Å²	159	101 Å²	101	70%	0.697	53%	0.53	S	S	*	.			trans	70.5	112.9	148.7	-73.6	-57.9	0	0	0	125
2361	Q	35	Very low	35.6	Very low	91 Å²	91	102 Å²	102	43%	0.425	54%	0.535	S	S	.	.				75.2	113.3	121	-122.4	61.4	-8.9	0	0	124.2	S377	S377-Q2361 WeakPolarHBondContact OG-CA 3.28Å
2362	Y	28.6	Very low	35.8	Very low	109 Å²	109	105.3 Å²	105.3	43%	0.427	55%	0.553	S	S	.	*			trans	41.5	146.4	138.2	-74.4	-103.5	0	0	0	121.9	L375 P376 S377 G378	L375-Y2362 WeakPolarHBondContact CD1-O 3.46Å; P376-Y2362 HydrophobicContact CB-CD1 3.67Å; P376-Y2362 HydrophobicContact CB-CD2 4.47Å; P376-Y2362 HydrophobicContact CB-CE1 3.8Å; P376-Y2362 HydrophobicContact CB-CG 4.01Å; P376-Y2362 HydrophobicContact CG-CD1 4.18Å; P376-Y2362 HydrophobicContact CG-CE1 4.33Å; S377-Y2362 WeakPolarHBondContact OG-CD2 3.18Å; S377-Y2362 VanDerWaalsContact OG-CE2 3.23Å; S377-Y2362 WeakPolarHBondContact OG-CE2 3.34Å; S377-Y2362 PolarHBondContact OG-N 3.49Å; G378-Y2362 PolarHBondContact O-OH 2.76Å
2363	P	39.7	Very low	35.6	Very low	70 Å²	70	106.3 Å²	106.3	46%	0.455	55%	0.552	S	S	.	*			cis	-143.5	-165.1	-4.6	37.2	-13.2	0	0	0	117	S374 L375 P376	S374-P2363 VanDerWaalsContact CB-O 3.28Å; S374-P2363 WeakPolarHBondContact CB-O 3.46Å; L375-P2363 CarbonylContact C-O 3.28Å; L375-P2363 WeakPolarHBondContact CB-O 2.93Å; L375-P2363 CarbonylContact O-C 3.52Å; L375-P2363 VanDerWaalsContact O-C 3.24Å; P376-P2363 HydrophobicContact CG-CB 4.15Å
2364	S	45.9	Very low	36	Very low	61 Å²	61	106.8 Å²	106.8	43%	0.427	55%	0.554	S	S	.	*			trans	90.5	75.2	148.6	-58.2	0	0	0	0	124.9	S374 L375	S374-S2364 VanDerWaalsContact CB-C 3.45Å; S374-S2364 WeakPolarHBondContact CB-O 3.06Å; S374-S2364 PolarHBondContact OG-O 3.32Å; L375-S2364 PolarHBondContact O-N 3.46Å
2365	R	37.5	Very low	36.3	Very low	88 Å²	88	110.8 Å²	110.8	33%	0.332	56%	0.561	S	S	.	*				33.1	93.8	103	-56.8	174.6	62.4	-112.1	-1.2	118.4	M1142 Y1143 Y1144	M1142-R2365 HydrophobicContact CE-CB 3.76Å; M1142-R2365 HydrophobicContact CG-CB 3.45Å; M1142-R2365 VanDerWaalsContact CG-CB 3.45Å; M1142-R2365 HydrophobicContact CG-CG 3.87Å; M1142-R2365 HydrophobicContact SD-CB 3.95Å; M1142-R2365 HydrophobicContact SD-CG 4.41Å; M1142-R2365 VanDerWaalsContact SD-CZ 3.5Å; M1142-R2365 PolarHBondContact SD-NH2 3.25Å; Y1143-R2365 HydrophobicContact CD2-CG 4.3Å; Y1143-R2365 HydrophobicContact CG-CG 4.44Å; Y1143-R2365 VanDerWaalsContact O-CD 3.26Å; Y1143-R2365 WeakPolarHBondContact O-CD 3.45Å; Y1143-R2365 PolarHBondContact O-NE 3.17Å; Y1144-R2365 VanDerWaalsContact CD2-NE 3.3Å; Y1144-R2365 VanDerWaalsContact CE2-CZ 3.43Å
2366	P	41	Very low	36.8	Very low	69 Å²	69	110.9 Å²	110.9	45%	0.448	57%	0.567	S	S	.	*				-159.6	165.2	105.9	39.7	-21.9	0	0	0	115.8	K1141 M1142	K1141-P2366 VanDerWaalsContact CB-C 3.42Å; K1141-P2366 WeakPolarHBondContact CB-O 3.35Å; K1141-P2366 WeakPolarHBondContact CD-O 3.19Å; M1142-P2366 HydrophobicContact CE-CB 3.96Å
2367	D	34.5	Very low	37.1	Very low	87 Å²	87	110.1 Å²	110.1	47%	0.465	57%	0.573	S	S	.	*			cis	-167.3	-169.9	-22.6	-105.9	-39.2	0	0	0	106.6	K1141 M1142	K1141-D2367 PolarHBondContact N-O 3.43Å; M1142-D2367 WeakPolarHBondContact CB-OD1 3.35Å; M1142-D2367 WeakPolarHBondContact CE-OD2 3.36Å; M1142-D2367 VanDerWaalsContact SD-OD1 3.39Å
2368	G	46	Very low	37.3	Very low	49 Å²	49	114.2 Å²	114.2	51%	0.505	59%	0.587	S	S	.	*			trans	118.9	50.4	159.1	0	0	0	0	0	117.7
2369	L	43.3	Very low	37.9	Very low	156 Å²	156	112 Å²	112	82%	0.817	57%	0.573	S	S	*	*				59.9	97.1	94.7	-62.6	167	0	0	0	114.8
2370	H	36.7	Very low	38.4	Very low	254 Å²	254	108.5 Å²	108.5	100%	1.176	56%	0.561	S	S	*	*				-145.8	0	89.5	-146	-51.9	0	0	0	111.6

Retrieved 2,370 of 2,370 residues in 576.6 ms (Link to these results)

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