A0A5K4FEJ6_SCHMA Loading...

FHA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,162 aa.

						>A0A5K4FEJ6_SCHMA|A0A5K4FEJ6
MNPSGHIVVIRRDGTDGLTCDWCSPLCDIGSNQSCDIRVQHSTVAPFHCTLQLLKDGLVQAVSRVDGRYKMLVNNFPLNDACVLTDNCILTVGDRQFRFFYPPSRKTTSDDYLYEASSKASSHYNKEEVLTPTSLPLVHPSKRTTPRKILLNHKTRSPRQRSMTPKRTLGTSERYGPVPPRQPATPPIIQVLRHEPNSSQSNKLPVFQAENVESNKKSVSGGKGYSYTDVNVSKSNQLKSSVVPDLPNAAHHPSSSVLSSIKGRSQNRIHTPFITSTLPNDDLNFTPNENKRSPGFRKSFHKLLILNESSNQSNLCKIDQFYDELSYVKQQAIESKRSPSTGQENQFCYDKCINDPTEESSREYIPELLTSPNSQRITRKSLSAKSSQKISIAYSPETEQELINRNRKRTISGKTYPTAEDMLATKRRRGVSFGPPLSPERFDKSLPPSTPVKRGGTPLVKLSHSTPANHSLQVNSVVWHSATPFASKLSELSQLSAFSKTTCESPNYNVTNNRVSAVISLPPTPDTNLLNSLSTDISCTHESFATLPVTSAAYSAPIKKSKINRKNLKRHSIAFLEKTSKTPSLRVPPTSPVSTKQKDKKQSTNEQRAKYQEKRAQSFDTNNNKTYNNNNYNKLYSSASYSLPNITKEYKQRRRTSSVPPTNLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSVKRHRGRPSSVPPTDLTETEAVTPEMSLSSVRKESGLTGVRKLLKTPKSVQTPRVSGVSELFKDEPSGNVCYRVQNVSNVTSLSPSYCKLCHCLLFECQCSFGFNNLTGKRSRRRGLDDVAESLPSKRTRCVFKIAESSVVKSTDADYPVMKMSSRRLKYPSTNELTVQLSKTKSKNKKQVSTMGSQYSDALTDRSVNIVKSLENRTSKELPGLIIPLPNNVMGNNSRKRKSIPYKSRLTPSDNMLNSYDQSAPSNTVSLIPKTAKDRESVSVVPVAKRLRSRMTPSVIECLSSSRTRRAVKVPDSLIGESATTDSSGKSSMVKTSSRKVKSQSNKEVIIQPSKTISKTKKKVSSTDFQCPDSLLDHSVNAVKSTNNCASKRSIKRLADVRRVSPSIPLAKRLRNRIDQSDIKCVTSEHTRNEETSLPVKDQPSEKKRNGTKTNNLRNRKQVITSPSKPLPTASSSKSVSTNESKDITLKSKTRSRHIKRASVTPVDNITNVSPKRRVLRSWKVITPASEISQPIQEKISTSKITNKSKLKTTNNNSNNNSSVTSKSTQAKQSSISIRQTRSRTRQ
					

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(Predicted Aligned Error values between residue pairs)

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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	72.3	Confident	92.1	Very high	182 Å²	182	51.3 Å²	51.3	90%	0.897	25%	0.252	S	S	*	.				0	141.3	0	-69.6	172.6	171.2	0	0	109
2	N	81.3	Confident	92.3	Very high	141 Å²	141	60.9 Å²	60.9	75%	0.754	28%	0.283	S	S	*	.			trans	-77.3	143.1	169.3	-71.6	-34.9	0	0	0	109.3
3	P	87.2	Confident	92.5	Very high	35 Å²	35	64.9 Å²	64.9	23%	0.227	31%	0.308	C	S	.	.			trans	-61.9	141.8	174.8	26.2	-33.6	0	0	0	110.9	G5 W22 P102	P3-G5 VanDerWaalsContact C-N 3.3Å; P3-W22 CarbonylContact C-O 3.51Å; P3-W22 WeakPolarHBondContact CA-O 2.85Å; P3-P102 HydrophobicContact CG-CG 4.4Å; P3-P102 WeakPolarHBondContact O-CG 3.23Å
4	S	92.1	Very high	92.7	Very high	3 Å²	3	64 Å²	64	2%	0.021	32%	0.324	C	S	.	.	S	Bend	trans	-69.3	-32.5	169	-59.7	0	0	0	0	111.3	W22 P102	S4-W22 WeakPolarHBondContact CB-O 3.1Å; S4-W22 PolarHBondContact N-O 2.88Å; S4-P102 WeakPolarHBondContact O-CD 3.43Å
5	G	96.5	Very high	92.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.2	-175	175.9	0	0	0	0	0	112.1	P3 W22 F100	P3-G5 VanDerWaalsContact C-N 3.3Å; G5-W22 PolarHBondContact O-N 2.62Å; G5-F100 CarbonylContact C-O 3.56Å; G5-F100 WeakPolarHBondContact CA-O 3.01Å
6	H	96.4	Very high	93.2	Very high	52 Å²	52	64.6 Å²	64.6	24%	0.241	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.8	178.6	-54.6	-87.1	0	0	0	110.1	C20 D21 F100	H6-C20 CarbonylContact C-O 3.55Å; H6-C20 WeakPolarHBondContact CA-O 3.29Å; H6-D21 IonicContact CE1-OD1 2.86Å; H6-D21 PolarHBondContact CE1-OD1 2.57Å; H6-D21 IonicContact CG-OD1 3.37Å; H6-D21 IonicContact ND1-OD1 3.29Å; H6-D21 PolarHBondContact ND1-OD1 2.97Å; H6-F100 HydrophobicContact CB-CB 4.41Å; H6-F100 PolarHBondContact N-O 2.86Å; H6-F100 PolarHBondContact O-N 2.8Å
7	I	98	Very high	93.4	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.4	178.7	-55.1	166.9	0	0	0	108.6	C20 W22 C27 I37 L51 F97 F99	I7-C20 HydrophobicContact CB-CB 4.35Å; I7-C20 PolarHBondContact N-O 2.89Å; I7-C20 PolarHBondContact O-N 3.17Å; I7-W22 HydrophobicContact CD1-CB 4.01Å; I7-W22 HydrophobicContact CD1-CD2 4.48Å; I7-W22 HydrophobicContact CD1-CG 4.24Å; I7-W22 HydrophobicContact CG1-CB 4.45Å; I7-C27 HydrophobicContact CD1-CB 4.45Å; I7-I37 HydrophobicContact CB-CD1 4.16Å; I7-I37 HydrophobicContact CD1-CD1 3.74Å; I7-I37 HydrophobicContact CG2-CD1 3.71Å; I7-L51 HydrophobicContact CD1-CD1 3.75Å; I7-L51 HydrophobicContact CG1-CD1 4.33Å; I7-F97 HydrophobicContact CG2-CB 4.1Å; I7-F97 HydrophobicContact CG2-CD1 4.12Å; I7-F99 HydrophobicContact CG1-CD2 4.15Å
8	V	97.8	Very high	93.5	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	109.5	-171.4	-178.2	0	0	0	0	110.2	I10 D16 T19 F97 R98 F100	V8-I10 PolarHBondContact O-N 3.41Å; V8-I10 VanDerWaalsContact O-N 3.11Å; V8-D16 HydrophobicContact CG1-CB 3.63Å; V8-T19 HydrophobicContact CG1-CG2 4.3Å; V8-T19 HydrophobicContact CG2-CG2 3.95Å; V8-F97 CarbonylContact O-C 3.57Å; V8-F97 VanDerWaalsContact O-CA 3.32Å; V8-F97 WeakPolarHBondContact O-CA 3.15Å; V8-R98 HydrophobicContact CB-CB 4.21Å; V8-R98 PolarHBondContact N-O 2.72Å; V8-R98 PolarHBondContact O-N 2.96Å; V8-F100 HydrophobicContact CB-CD2 4.42Å; V8-F100 HydrophobicContact CB-CE2 4.14Å; V8-F100 HydrophobicContact CG2-CD2 3.62Å; V8-F100 HydrophobicContact CG2-CE2 3.61Å
9	V	97.7	Very high	93.6	Very high	10 Å²	10	65.6 Å²	65.6	6%	0.061	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	107.7	-179.6	-175.6	0	0	0	0	110.1	G17 L18 F97 I189	V9-G17 WeakPolarHBondContact O-CA 3.26Å; V9-G17 PolarHBondContact O-N 2.77Å; V9-L18 HydrophobicContact CB-CB 4.48Å; V9-L18 HydrophobicContact CG2-CB 4.29Å; V9-L18 WeakPolarHBondContact CG2-O 3.15Å; V9-L18 PolarHBondContact N-O 3.11Å; V9-F97 HydrophobicContact CB-CD1 4.34Å; V9-F97 HydrophobicContact CB-CE1 4.38Å; V9-F97 HydrophobicContact CG1-CD1 4.47Å; V9-F97 HydrophobicContact CG1-CE1 4.16Å; V9-F97 HydrophobicContact CG2-CD1 3.89Å; V9-F97 HydrophobicContact CG2-CE1 3.79Å; V9-I189 HydrophobicContact CG1-CD1 3.44Å; V9-I189 VanDerWaalsContact CG1-CD1 3.44Å; V9-I189 HydrophobicContact CG1-CG2 4.47Å; V9-I189 HydrophobicContact CG2-CG2 4.36Å
10	I	97.8	Very high	93.7	Very high	9 Å²	9	63 Å²	63	5%	0.046	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.5	177	-48.9	-177.6	0	0	0	109.1	V8 I89 Q96 R98	V8-I10 PolarHBondContact O-N 3.41Å; V8-I10 VanDerWaalsContact O-N 3.11Å; I10-I89 HydrophobicContact CD1-CD1 4.31Å; I10-I89 HydrophobicContact CD1-CG1 4.2Å; I10-I89 HydrophobicContact CD1-CG2 4.08Å; I10-Q96 WeakPolarHBondContact CA-O 3.4Å; I10-Q96 HydrophobicContact CB-CB 3.93Å; I10-Q96 WeakPolarHBondContact CB-O 3.34Å; I10-Q96 HydrophobicContact CD1-CB 4.19Å; I10-Q96 HydrophobicContact CG1-CB 4.37Å; I10-Q96 PolarHBondContact N-O 3.29Å; I10-R98 HydrophobicContact CD1-CB 4.06Å; I10-R98 HydrophobicContact CG1-CB 4.25Å
11	R	96.1	Very high	93.8	Very high	121 Å²	121	64 Å²	64	46%	0.457	34%	0.34	S	S	.	.			trans	-79.7	159.6	177.2	-63	-173.8	-173.4	116.5	4.9	111.1	D13 G14 T15 D16 G17	R11-D13 VanDerWaalsContact CB-OD1 3.23Å; R11-D13 WeakPolarHBondContact CB-OD1 3.38Å; R11-D13 PolarHBondContact O-N 2.88Å; R11-G14 PolarHBondContact O-N 3.02Å; R11-T15 VanDerWaalsContact CB-O 3.32Å; R11-T15 WeakPolarHBondContact CB-O 3.39Å; R11-T15 WeakPolarHBondContact CG-O 3.08Å; R11-T15 PolarHBondContact N-O 3.33Å; R11-T15 PolarHBondContact NH1-OG1 3.19Å; R11-D16 PolarHBondContact NH1-O 2.79Å; R11-G17 PolarHBondContact NH2-O 3.06Å
12	R	93.9	Very high	94.8	Very high	167 Å²	167	55.7 Å²	55.7	63%	0.63	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	0.6	176.1	-69.3	-175.8	179.1	170.7	-6.7	114.9	D94 P187	R12-D94 IonicContact CZ-OD2 3.74Å; R12-D94 IonicContact NE-OD2 3.21Å; R12-D94 PolarHBondContact NE-OD2 3.5Å; R12-D94 IonicContact NH2-OD2 3.45Å; R12-D94 PolarHBondContact NH2-OD2 3.49Å; R12-P187 VanDerWaalsContact NH2-CG 3.26Å
13	D	94.9	Very high	95.4	Very high	113 Å²	113	50.7 Å²	50.7	60%	0.604	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	7.3	171.5	59.1	13.8	0	0	0	113.1	R11 T15	R11-D13 VanDerWaalsContact CB-OD1 3.23Å; R11-D13 WeakPolarHBondContact CB-OD1 3.38Å; R11-D13 PolarHBondContact O-N 2.88Å; D13-T15 VanDerWaalsContact C-N 3.25Å; D13-T15 PolarHBondContact O-N 2.78Å; D13-T15 WeakPolarHBondContact OD1-CB 3.35Å; D13-T15 WeakPolarHBondContact OD1-CG2 3.25Å; D13-T15 PolarHBondContact OD1-N 3.47Å; D13-T15 PolarHBondContact OD1-OG1 2.84Å
14	G	95.3	Very high	95.8	Very high	52 Å²	52	50.3 Å²	50.3	54%	0.536	27%	0.273	S	S	.	.	S	Bend	trans	78.8	0.1	-176.9	0	0	0	0	0	114.5	R11	R11-G14 PolarHBondContact O-N 3.02Å
15	T	96.6	Very high	96	Very high	61 Å²	61	54.2 Å²	54.2	37%	0.374	30%	0.298	S	S	.	.			trans	-85.6	140.6	177.9	68.1	0	0	0	0	111.9	R11 D13	R11-T15 VanDerWaalsContact CB-O 3.32Å; R11-T15 WeakPolarHBondContact CB-O 3.39Å; R11-T15 WeakPolarHBondContact CG-O 3.08Å; R11-T15 PolarHBondContact N-O 3.33Å; R11-T15 PolarHBondContact NH1-OG1 3.19Å; D13-T15 VanDerWaalsContact C-N 3.25Å; D13-T15 PolarHBondContact O-N 2.78Å; D13-T15 WeakPolarHBondContact OD1-CB 3.35Å; D13-T15 WeakPolarHBondContact OD1-CG2 3.25Å; D13-T15 PolarHBondContact OD1-N 3.47Å; D13-T15 PolarHBondContact OD1-OG1 2.84Å
16	D	97.2	Very high	96	Very high	76 Å²	76	57.2 Å²	57.2	41%	0.406	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	137.5	173.2	-61.9	-54.5	0	0	0	110.9	V8 R11 R98	V8-D16 HydrophobicContact CG1-CB 3.63Å; R11-D16 PolarHBondContact NH1-O 2.79Å; D16-R98 IonicContact OD1-CZ 3.18Å; D16-R98 IonicContact OD1-NE 2.66Å; D16-R98 PolarHBondContact OD1-NE 2.76Å; D16-R98 IonicContact OD1-NH2 3.29Å; D16-R98 PolarHBondContact OD1-NH2 3.03Å; D16-R98 IonicContact OD2-NH2 3.02Å; D16-R98 PolarHBondContact OD2-NH2 3.44Å
17	G	95.9	Very high	96.1	Very high	20 Å²	20	54.8 Å²	54.8	21%	0.206	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-94.7	-158.8	0	0	0	0	0	115.2	V9 R11	V9-G17 WeakPolarHBondContact O-CA 3.26Å; V9-G17 PolarHBondContact O-N 2.77Å; R11-G17 PolarHBondContact NH2-O 3.06Å
18	L	95.4	Very high	96.1	Very high	110 Å²	110	55.6 Å²	55.6	58%	0.576	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.3	171.3	-70.2	174.3	0	0	0	107.5	V9	V9-L18 HydrophobicContact CB-CB 4.48Å; V9-L18 HydrophobicContact CG2-CB 4.29Å; V9-L18 WeakPolarHBondContact CG2-O 3.15Å; V9-L18 PolarHBondContact N-O 3.11Å
19	T	96.3	Very high	96.1	Very high	83 Å²	83	55.1 Å²	55.1	51%	0.509	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139	172.5	61.2	0	0	0	0	109.4	V8	V8-T19 HydrophobicContact CG1-CG2 4.3Å; V8-T19 HydrophobicContact CG2-CG2 3.95Å
20	C	94.8	Very high	96.1	Very high	13 Å²	13	54.7 Å²	54.7	9%	0.088	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.3	167.5	-177	0	0	0	0	107.9	H6 I7 V191	H6-C20 CarbonylContact C-O 3.55Å; H6-C20 WeakPolarHBondContact CA-O 3.29Å; I7-C20 HydrophobicContact CB-CB 4.35Å; I7-C20 PolarHBondContact N-O 2.89Å; I7-C20 PolarHBondContact O-N 3.17Å; C20-V191 HydrophobicContact CB-CG1 3.76Å; C20-V191 HydrophobicContact CB-CG2 4.45Å; C20-V191 WeakPolarHBondContact SG-CG1 3.48Å
21	D	95.6	Very high	96.1	Very high	84 Å²	84	56.3 Å²	56.3	45%	0.449	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.8	173.4	-48.6	-39.1	0	0	0	106	H6	H6-D21 IonicContact CE1-OD1 2.86Å; H6-D21 PolarHBondContact CE1-OD1 2.57Å; H6-D21 IonicContact CG-OD1 3.37Å; H6-D21 IonicContact ND1-OD1 3.29Å; H6-D21 PolarHBondContact ND1-OD1 2.97Å
22	W	94.9	Very high	96.2	Very high	9 Å²	9	53.2 Å²	53.2	3%	0.034	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.9	-170.3	172	51.7	0	0	0	110.5	P3 S4 G5 I7 S24 L26 C27 L51 L53 V59 F99	P3-W22 CarbonylContact C-O 3.51Å; P3-W22 WeakPolarHBondContact CA-O 2.85Å; S4-W22 WeakPolarHBondContact CB-O 3.1Å; S4-W22 PolarHBondContact N-O 2.88Å; G5-W22 PolarHBondContact O-N 2.62Å; I7-W22 HydrophobicContact CD1-CB 4.01Å; I7-W22 HydrophobicContact CD1-CD2 4.48Å; I7-W22 HydrophobicContact CD1-CG 4.24Å; I7-W22 HydrophobicContact CG1-CB 4.45Å; W22-S24 VanDerWaalsContact CZ2-O 3.31Å; W22-S24 WeakPolarHBondContact CZ2-O 3.13Å; W22-S24 PolarHBondContact NE1-O 2.98Å; W22-S24 VanDerWaalsContact NE1-O 3.08Å; W22-L26 VanDerWaalsContact NE1-C 3.35Å; W22-L26 PolarHBondContact NE1-O 2.82Å; W22-C27 HydrophobicContact CD2-CB 4.17Å; W22-C27 HydrophobicContact CG-CB 4.35Å; W22-C27 HydrophobicContact CZ2-CB 3.98Å; W22-L51 HydrophobicContact CH2-CB 3.84Å; W22-L51 HydrophobicContact CZ2-CB 4.21Å; W22-L51 WeakPolarHBondContact CZ2-O 3.39Å; W22-L51 HydrophobicContact CZ3-CB 4.23Å; W22-L53 HydrophobicContact CH2-CB 4.35Å; W22-V59 HydrophobicContact CH2-CG1 3.95Å; W22-V59 HydrophobicContact CH2-CG2 4.24Å; W22-V59 HydrophobicContact CZ3-CB 4.24Å; W22-V59 HydrophobicContact CZ3-CG1 3.56Å; W22-V59 HydrophobicContact CZ3-CG2 3.6Å; W22-F99 HydrophobicContact CE3-CE2 4.08Å; W22-F99 HydrophobicContact CZ3-CE2 4.2Å
23	C	92.8	Very high	96.3	Very high	35 Å²	35	51.9 Å²	51.9	24%	0.236	31%	0.307	C	S	.	.			trans	-115.6	-3.2	-173.9	-60.2	0	0	0	0	114.2
24	S	95.1	Very high	96.4	Very high	28 Å²	28	49.6 Å²	49.6	20%	0.196	30%	0.3	C	S	.	.	S	Bend	trans	-85	155.1	177.4	169	0	0	0	0	110.2	W22 L26	W22-S24 VanDerWaalsContact CZ2-O 3.31Å; W22-S24 WeakPolarHBondContact CZ2-O 3.13Å; W22-S24 PolarHBondContact NE1-O 2.98Å; W22-S24 VanDerWaalsContact NE1-O 3.08Å; S24-L26 WeakPolarHBondContact CB-O 3.36Å; S24-L26 PolarHBondContact O-N 3.45Å; S24-L26 PolarHBondContact OG-N 3.49Å; S24-L26 PolarHBondContact OG-O 2.84Å
25	P	96.6	Very high	96.5	Very high	85 Å²	85	47.1 Å²	47.1	55%	0.552	28%	0.275	S	S	*	.	S	Bend	trans	-68.2	-14.6	166.5	29.6	-36.2	0	0	0	113.1	Q52 L53	P25-Q52 WeakPolarHBondContact O-CA 3.16Å; P25-L53 PolarHBondContact O-N 3.48Å
26	L	97.3	Very high	96.5	Very high	63 Å²	63	45.1 Å²	45.1	33%	0.33	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.4	179.5	-148.9	76.5	0	0	0	111.5	W22 S24 T50 L51 Q52	W22-L26 VanDerWaalsContact NE1-C 3.35Å; W22-L26 PolarHBondContact NE1-O 2.82Å; S24-L26 WeakPolarHBondContact CB-O 3.36Å; S24-L26 PolarHBondContact O-N 3.45Å; S24-L26 PolarHBondContact OG-N 3.49Å; S24-L26 PolarHBondContact OG-O 2.84Å; L26-T50 HydrophobicContact CD1-CG2 3.5Å; L26-T50 HydrophobicContact CD2-CG2 4.09Å; L26-T50 HydrophobicContact CG-CG2 3.57Å; L26-L51 CarbonylContact C-O 2.97Å; L26-L51 WeakPolarHBondContact CA-O 3.39Å; L26-Q52 HydrophobicContact CD1-CB 4.19Å; L26-Q52 HydrophobicContact CD1-CG 4.21Å
27	C	97.8	Very high	96.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	106.6	167	-162.7	0	0	0	0	110.6	I7 W22 D36 T50 L51	I7-C27 HydrophobicContact CD1-CB 4.45Å; W22-C27 HydrophobicContact CD2-CB 4.17Å; W22-C27 HydrophobicContact CG-CB 4.35Å; W22-C27 HydrophobicContact CZ2-CB 3.98Å; C27-D36 VanDerWaalsContact CA-OD2 3.25Å; C27-D36 WeakPolarHBondContact CA-OD2 3.25Å; C27-T50 CarbonylContact O-C 3.04Å; C27-T50 WeakPolarHBondContact O-CA 3.38Å; C27-L51 HydrophobicContact CB-CB 3.96Å; C27-L51 HydrophobicContact CB-CD1 4.44Å; C27-L51 HydrophobicContact CB-CG 4.3Å; C27-L51 PolarHBondContact N-O 2.71Å; C27-L51 PolarHBondContact O-N 3.32Å
28	D	97.9	Very high	96.6	Very high	18 Å²	18	42.5 Å²	42.5	10%	0.096	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.2	173	-90.4	5.4	0	0	0	110.9	C35 D36 I37 F47 T50 R64	D28-C35 HydrophobicContact CB-CB 4.41Å; D28-C35 CarbonylContact O-C 3.6Å; D28-C35 WeakPolarHBondContact O-CB 3.27Å; D28-D36 PolarHBondContact N-OD2 3.29Å; D28-D36 PolarHBondContact O-N 3.3Å; D28-I37 PolarHBondContact O-N 3.23Å; D28-I37 VanDerWaalsContact O-N 3.12Å; D28-F47 HydrophobicContact CB-CD1 4.46Å; D28-F47 VanDerWaalsContact OD2-CD1 3.29Å; D28-F47 WeakPolarHBondContact OD2-CD1 3.46Å; D28-T50 WeakPolarHBondContact OD1-CB 3.35Å; D28-T50 VanDerWaalsContact OD1-CG2 3.26Å; D28-T50 WeakPolarHBondContact OD1-CG2 3.37Å; D28-T50 PolarHBondContact OD1-OG1 2.89Å; D28-R64 IonicContact OD1-CZ 2.73Å; D28-R64 VanDerWaalsContact OD1-CZ 3.3Å; D28-R64 IonicContact OD1-NH1 2.65Å; D28-R64 PolarHBondContact OD1-NH1 3.02Å; D28-R64 IonicContact OD1-NH2 3.45Å; D28-R64 PolarHBondContact OD1-NH2 2.81Å; D28-R64 IonicContact OD2-CZ 2.85Å; D28-R64 IonicContact OD2-NH1 3.63Å; D28-R64 PolarHBondContact OD2-NH1 3.18Å; D28-R64 IonicContact OD2-NH2 3.14Å; D28-R64 PolarHBondContact OD2-NH2 2.96Å
29	I	98.2	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.5	176	-45.2	-173.2	0	0	0	108.3	I37 V39 H48 C49 L51 V92	I29-I37 WeakPolarHBondContact CA-O 3.2Å; I29-I37 HydrophobicContact CB-CB 4.42Å; I29-I37 HydrophobicContact CD1-CD1 4.31Å; I29-I37 HydrophobicContact CG1-CB 4.12Å; I29-I37 HydrophobicContact CG1-CD1 4.47Å; I29-I37 HydrophobicContact CG2-CB 4.07Å; I29-I37 HydrophobicContact CG2-CG2 4.06Å; I29-V39 HydrophobicContact CG2-CG2 4.13Å; I29-H48 WeakPolarHBondContact O-CA 3.19Å; I29-H48 WeakPolarHBondContact O-CB 3.27Å; I29-H48 PolarHBondContact O-N 3.17Å; I29-C49 PolarHBondContact N-O 3.16Å; I29-C49 PolarHBondContact O-N 3.28Å; I29-C49 VanDerWaalsContact O-N 3.14Å; I29-L51 HydrophobicContact CD1-CD1 4.36Å; I29-L51 HydrophobicContact CD1-CG 4.4Å; I29-V92 HydrophobicContact CG2-CG1 4.17Å; I29-V92 HydrophobicContact CG2-CG2 4.33Å
30	G	98.2	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-175.4	-174.5	0	0	0	0	0	113.3	I37 R38 V39 P46	G30-I37 PolarHBondContact N-O 3.26Å; G30-I37 VanDerWaalsContact N-O 3.15Å; G30-R38 CarbonylContact O-C 3.36Å; G30-R38 VanDerWaalsContact O-CA 3.32Å; G30-R38 WeakPolarHBondContact O-CA 3.18Å; G30-V39 PolarHBondContact O-N 3.45Å; G30-P46 CarbonylContact C-O 3.2Å; G30-P46 WeakPolarHBondContact CA-O 2.86Å
31	S	97.7	Very high	96.6	Very high	44 Å²	44	39 Å²	39	31%	0.308	21%	0.213	S	C	.	.	S	Bend	trans	-94.7	-6.3	177.7	62.2	0	0	0	0	114.4	V39 V44 A45 P46	S31-V39 WeakPolarHBondContact CB-O 3.37Å; S31-V44 WeakPolarHBondContact CB-O 3.25Å; S31-V44 PolarHBondContact OG-O 3.16Å; S31-A45 PolarHBondContact N-O 2.85Å; S31-A45 VanDerWaalsContact OG-C 3.25Å; S31-A45 PolarHBondContact OG-O 2.95Å; S31-A45 VanDerWaalsContact OG-O 3.12Å; S31-P46 PolarHBondContact N-O 3.48Å
32	N	97.5	Very high	96.6	Very high	56 Å²	56	40.2 Å²	40.2	30%	0.299	23%	0.228	S	C	.	.	S	Bend	trans	-68.3	171.3	177.4	-158.9	-1.8	0	0	0	112.2	S34 R38 P46 F47	N32-S34 PolarHBondContact ND2-OG 2.99Å; N32-S34 VanDerWaalsContact ND2-OG 3.17Å; N32-R38 PolarHBondContact O-NE 2.94Å; N32-P46 HydrophobicContact CB-CB 4.09Å; N32-P46 WeakPolarHBondContact CB-O 3.2Å; N32-P46 PolarHBondContact N-O 2.73Å; N32-F47 VanDerWaalsContact ND2-CE2 3.31Å; N32-F47 WeakPolarHBondContact ND2-CE2 3.04Å; N32-F47 VanDerWaalsContact ND2-CZ 3.29Å; N32-F47 WeakPolarHBondContact ND2-CZ 3.47Å
33	Q	96.8	Very high	96.6	Very high	138 Å²	138	41.7 Å²	41.7	65%	0.645	24%	0.239	S	C	*	.	S	Bend	trans	-85.1	-22	178.4	-53.4	-138.2	71.4	0	0	113.8	R38	Q33-R38 VanDerWaalsContact CA-CZ 3.49Å; Q33-R38 VanDerWaalsContact OE1-NH1 3.12Å
34	S	96.8	Very high	96.9	Very high	65 Å²	65	40.4 Å²	40.4	46%	0.455	23%	0.23	S	C	.	.	S	Bend	trans	-85.8	-11.6	178.3	53.6	0	0	0	0	114.5	N32 F47	N32-S34 PolarHBondContact ND2-OG 2.99Å; N32-S34 VanDerWaalsContact ND2-OG 3.17Å; S34-F47 WeakPolarHBondContact OG-CE1 3.02Å; S34-F47 WeakPolarHBondContact OG-CZ 3.16Å
35	C	97.6	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.229	C	C	.	.			trans	-71.3	143.3	176.3	-62.9	0	0	0	0	111.1	D28 R38 P46 F47	D28-C35 HydrophobicContact CB-CB 4.41Å; D28-C35 CarbonylContact O-C 3.6Å; D28-C35 WeakPolarHBondContact O-CB 3.27Å; C35-R38 HydrophobicContact CB-CG 4.39Å; C35-R38 WeakPolarHBondContact O-CG 3.01Å; C35-P46 PolarHBondContact SG-O 2.75Å; C35-F47 VanDerWaalsContact SG-CD1 3.53Å
36	D	96.9	Very high	97	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.102	23%	0.227	C	C	.	.	S	Bend	trans	-69.1	-39	179.3	-50	-49.6	0	0	0	111.1	C27 D28 L192 H194	C27-D36 VanDerWaalsContact CA-OD2 3.25Å; C27-D36 WeakPolarHBondContact CA-OD2 3.25Å; D28-D36 PolarHBondContact N-OD2 3.29Å; D28-D36 PolarHBondContact O-N 3.3Å; D36-L192 PolarHBondContact O-N 2.74Å; D36-H194 IonicContact OD1-CD2 2.77Å; D36-H194 IonicContact OD1-CE1 3.54Å; D36-H194 IonicContact OD1-NE2 3.36Å; D36-H194 PolarHBondContact OD1-NE2 3.25Å
37	I	97.4	Very high	97	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	97.5	172.9	-58.3	-178.4	0	0	0	108.8	I7 D28 I29 G30 V39 F97 I189	I7-I37 HydrophobicContact CB-CD1 4.16Å; I7-I37 HydrophobicContact CD1-CD1 3.74Å; I7-I37 HydrophobicContact CG2-CD1 3.71Å; D28-I37 PolarHBondContact O-N 3.23Å; D28-I37 VanDerWaalsContact O-N 3.12Å; I29-I37 WeakPolarHBondContact CA-O 3.2Å; I29-I37 HydrophobicContact CB-CB 4.42Å; I29-I37 HydrophobicContact CD1-CD1 4.31Å; I29-I37 HydrophobicContact CG1-CB 4.12Å; I29-I37 HydrophobicContact CG1-CD1 4.47Å; I29-I37 HydrophobicContact CG2-CB 4.07Å; I29-I37 HydrophobicContact CG2-CG2 4.06Å; G30-I37 PolarHBondContact N-O 3.26Å; G30-I37 VanDerWaalsContact N-O 3.15Å; I37-V39 HydrophobicContact CG2-CG2 4.33Å; I37-F97 HydrophobicContact CG2-CD1 4.41Å; I37-F97 HydrophobicContact CG2-CE1 3.59Å; I37-F97 HydrophobicContact CG2-CZ 4.05Å; I37-I189 HydrophobicContact CG2-CG2 4.44Å
38	R	97.4	Very high	97	Very high	41 Å²	41	40.3 Å²	40.3	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.3	-176.7	-55.2	179.1	49.6	176.8	-7.7	110.7	G30 N32 Q33 C35 I189 Q190	G30-R38 CarbonylContact O-C 3.36Å; G30-R38 VanDerWaalsContact O-CA 3.32Å; G30-R38 WeakPolarHBondContact O-CA 3.18Å; N32-R38 PolarHBondContact O-NE 2.94Å; Q33-R38 VanDerWaalsContact CA-CZ 3.49Å; Q33-R38 VanDerWaalsContact OE1-NH1 3.12Å; C35-R38 HydrophobicContact CB-CG 4.39Å; C35-R38 WeakPolarHBondContact O-CG 3.01Å; R38-I189 CarbonylContact O-C 3.38Å; R38-I189 WeakPolarHBondContact O-CA 3.37Å; R38-Q190 HydrophobicContact CB-CB 4.18Å; R38-Q190 PolarHBondContact N-O 3.24Å; R38-Q190 PolarHBondContact O-N 2.84Å
39	V	97.2	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	100.7	179.5	-172.6	0	0	0	0	109.8	I29 G30 S31 I37 H41 V44 V92 R95 F97 I189	I29-V39 HydrophobicContact CG2-CG2 4.13Å; G30-V39 PolarHBondContact O-N 3.45Å; S31-V39 WeakPolarHBondContact CB-O 3.37Å; I37-V39 HydrophobicContact CG2-CG2 4.33Å; V39-H41 VanDerWaalsContact C-N 3.27Å; V39-H41 HydrophobicContact CG1-CB 4.29Å; V39-H41 PolarHBondContact O-N 3.46Å; V39-V44 HydrophobicContact CB-CG1 4.23Å; V39-V44 HydrophobicContact CB-CG2 4.33Å; V39-V44 HydrophobicContact CG1-CG2 3.94Å; V39-V92 HydrophobicContact CG2-CG1 4.48Å; V39-R95 HydrophobicContact CG1-CB 4.23Å; V39-R95 HydrophobicContact CG1-CG 3.56Å; V39-F97 HydrophobicContact CG2-CE2 4.31Å; V39-F97 HydrophobicContact CG2-CZ 3.67Å; V39-I189 HydrophobicContact CG1-CG1 4.5Å
40	Q	95.8	Very high	97	Very high	82 Å²	82	39.8 Å²	39.8	38%	0.383	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	74.9	178	-56.6	-173.9	8.4	0	0	110.6	P187 I188	Q40-P187 WeakPolarHBondContact O-CB 3.1Å; Q40-I188 HydrophobicContact CB-CB 4.19Å; Q40-I188 WeakPolarHBondContact CB-O 2.92Å; Q40-I188 HydrophobicContact CG-CB 4.31Å; Q40-I188 PolarHBondContact N-O 2.8Å
41	H	94	Very high	97	Very high	49 Å²	49	39.8 Å²	39.8	23%	0.227	22%	0.224	C	C	.	.			trans	-134.6	145.1	172.4	-165	-111.5	0	0	0	111.3	V39 T43 V44 D94 P187	V39-H41 VanDerWaalsContact C-N 3.27Å; V39-H41 HydrophobicContact CG1-CB 4.29Å; V39-H41 PolarHBondContact O-N 3.46Å; H41-T43 PolarHBondContact CE1-OG1 3.12Å; H41-T43 PolarHBondContact ND1-OG1 3.14Å; H41-T43 PolarHBondContact O-N 2.6Å; H41-T43 VanDerWaalsContact O-N 3.12Å; H41-V44 HydrophobicContact CB-CG2 4.18Å; H41-V44 PolarHBondContact O-N 2.96Å; H41-D94 IonicContact CD2-OD1 2.62Å; H41-D94 PolarHBondContact CD2-OD1 2.82Å; H41-D94 IonicContact CE1-OD1 2.66Å; H41-D94 IonicContact CG-OD1 2.67Å; H41-D94 IonicContact ND1-OD1 3.61Å; H41-D94 PolarHBondContact ND1-OD1 2.99Å; H41-D94 IonicContact NE2-OD1 3.4Å; H41-P187 HydrophobicContact CB-CB 4.29Å
42	S	95.1	Very high	97	Very high	110 Å²	110	41.8 Å²	41.8	77%	0.769	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-1.5	-173.7	59.3	0	0	0	0	115
43	T	95.6	Very high	97	Very high	40 Å²	40	41.4 Å²	41.4	25%	0.245	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	15.9	175.9	70.5	0	0	0	0	112	H41 Y69 G93	H41-T43 PolarHBondContact CE1-OG1 3.12Å; H41-T43 PolarHBondContact ND1-OG1 3.14Å; H41-T43 PolarHBondContact O-N 2.6Å; H41-T43 VanDerWaalsContact O-N 3.12Å; T43-Y69 HydrophobicContact CG2-CE1 4.14Å; T43-Y69 WeakPolarHBondContact O-CD1 3.31Å; T43-G93 VanDerWaalsContact OG1-CA 3.31Å; T43-G93 WeakPolarHBondContact OG1-CA 2.75Å
44	V	97.3	Very high	97	Very high	8 Å²	8	37 Å²	37	5%	0.048	21%	0.207	C	C	.	.	S	Bend	trans	-118.4	120	176.5	-178.9	0	0	0	0	107.5	S31 V39 H41 H48 V92	S31-V44 WeakPolarHBondContact CB-O 3.25Å; S31-V44 PolarHBondContact OG-O 3.16Å; V39-V44 HydrophobicContact CB-CG1 4.23Å; V39-V44 HydrophobicContact CB-CG2 4.33Å; V39-V44 HydrophobicContact CG1-CG2 3.94Å; H41-V44 HydrophobicContact CB-CG2 4.18Å; H41-V44 PolarHBondContact O-N 2.96Å; V44-H48 HydrophobicContact CG1-CB 3.77Å; V44-V92 HydrophobicContact CB-CG1 4.43Å; V44-V92 HydrophobicContact CG1-CG1 3.72Å; V44-V92 HydrophobicContact CG2-CG1 3.79Å
45	A	97.1	Very high	96.9	Very high	23 Å²	23	44.8 Å²	44.8	19%	0.19	23%	0.233	C	C	.	.			trans	-65.6	162.6	179.2	0	0	0	0	0	111.5	S31 F47 H48 V65	S31-A45 PolarHBondContact N-O 2.85Å; S31-A45 VanDerWaalsContact OG-C 3.25Å; S31-A45 PolarHBondContact OG-O 2.95Å; S31-A45 VanDerWaalsContact OG-O 3.12Å; A45-F47 VanDerWaalsContact C-N 3.28Å; A45-F47 WeakPolarHBondContact CB-O 3.33Å; A45-F47 PolarHBondContact O-N 2.74Å; A45-H48 HydrophobicContact CB-CB 4.49Å; A45-V65 HydrophobicContact CB-CG1 4.45Å; A45-V65 HydrophobicContact CB-CG2 3.46Å; A45-V65 VanDerWaalsContact CB-CG2 3.46Å
46	P	97.2	Very high	96.8	Very high	78 Å²	78	49.7 Å²	49.7	51%	0.506	26%	0.259	S	S	.	.	S	Bend	trans	-50.2	-48.8	179.6	-29.1	36.8	0	0	0	112.4	G30 S31 N32 C35	G30-P46 CarbonylContact C-O 3.2Å; G30-P46 WeakPolarHBondContact CA-O 2.86Å; S31-P46 PolarHBondContact N-O 3.48Å; N32-P46 HydrophobicContact CB-CB 4.09Å; N32-P46 WeakPolarHBondContact CB-O 3.2Å; N32-P46 PolarHBondContact N-O 2.73Å; C35-P46 PolarHBondContact SG-O 2.75Å
47	F	97.2	Very high	96.7	Very high	75 Å²	75	49.6 Å²	49.6	33%	0.329	26%	0.263	S	S	.	.	S	Bend	trans	-117.5	129.6	161.5	-54.9	-93	0	0	0	106.4	D28 N32 S34 C35 A45 V65	D28-F47 HydrophobicContact CB-CD1 4.46Å; D28-F47 VanDerWaalsContact OD2-CD1 3.29Å; D28-F47 WeakPolarHBondContact OD2-CD1 3.46Å; N32-F47 VanDerWaalsContact ND2-CE2 3.31Å; N32-F47 WeakPolarHBondContact ND2-CE2 3.04Å; N32-F47 VanDerWaalsContact ND2-CZ 3.29Å; N32-F47 WeakPolarHBondContact ND2-CZ 3.47Å; S34-F47 WeakPolarHBondContact OG-CE1 3.02Å; S34-F47 WeakPolarHBondContact OG-CZ 3.16Å; C35-F47 VanDerWaalsContact SG-CD1 3.53Å; A45-F47 VanDerWaalsContact C-N 3.28Å; A45-F47 WeakPolarHBondContact CB-O 3.33Å; A45-F47 PolarHBondContact O-N 2.74Å; F47-V65 WeakPolarHBondContact O-CG2 3.23Å
48	H	97.6	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.			trans	-116.3	-44.7	-171.4	-176	93.2	0	0	0	112.5	I29 V44 A45 R64 V65 Y69 V92	I29-H48 WeakPolarHBondContact O-CA 3.19Å; I29-H48 WeakPolarHBondContact O-CB 3.27Å; I29-H48 PolarHBondContact O-N 3.17Å; V44-H48 HydrophobicContact CG1-CB 3.77Å; A45-H48 HydrophobicContact CB-CB 4.49Å; H48-R64 PolarHBondContact O-N 2.85Å; H48-V65 HydrophobicContact CB-CG2 4.44Å; H48-Y69 PolarHBondContact CE1-O 3.3Å; H48-V92 HydrophobicContact CB-CG1 4.38Å; H48-V92 WeakPolarHBondContact CD2-CG1 3.36Å; H48-V92 WeakPolarHBondContact NE2-CA 3.42Å
49	C	98	Very high	96.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.4	171.8	59.1	0	0	0	0	110.1	I29 V62 M71	I29-C49 PolarHBondContact N-O 3.16Å; I29-C49 PolarHBondContact O-N 3.28Å; I29-C49 VanDerWaalsContact O-N 3.14Å; C49-V62 CarbonylContact C-O 3.16Å; C49-V62 VanDerWaalsContact CA-O 3.23Å; C49-V62 WeakPolarHBondContact CA-O 3.41Å; C49-V62 VanDerWaalsContact CB-O 3.3Å; C49-V62 WeakPolarHBondContact CB-O 3.3Å; C49-M71 HydrophobicContact CB-CB 4.48Å; C49-M71 HydrophobicContact CB-CE 3.53Å; C49-M71 HydrophobicContact CB-SD 3.51Å; C49-M71 VanDerWaalsContact CB-SD 3.51Å; C49-M71 PolarHBondContact SG-SD 3.01Å
50	T	98.1	Very high	96.7	Very high	6 Å²	6	52.5 Å²	52.5	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.3	178.7	-59.7	0	0	0	0	109	L26 C27 D28 A61 V62 R64	L26-T50 HydrophobicContact CD1-CG2 3.5Å; L26-T50 HydrophobicContact CD2-CG2 4.09Å; L26-T50 HydrophobicContact CG-CG2 3.57Å; C27-T50 CarbonylContact O-C 3.04Å; C27-T50 WeakPolarHBondContact O-CA 3.38Å; D28-T50 WeakPolarHBondContact OD1-CB 3.35Å; D28-T50 VanDerWaalsContact OD1-CG2 3.26Å; D28-T50 WeakPolarHBondContact OD1-CG2 3.37Å; D28-T50 PolarHBondContact OD1-OG1 2.89Å; T50-A61 WeakPolarHBondContact O-CA 3.08Å; T50-V62 PolarHBondContact N-O 2.87Å; T50-V62 PolarHBondContact O-N 2.76Å; T50-R64 PolarHBondContact OG1-NE 2.73Å; T50-R64 PolarHBondContact OG1-NH2 3.39Å
51	L	98.3	Very high	96.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.9	166.2	-48.5	-176.7	0	0	0	108.1	I7 W22 L26 C27 I29 V59 Q60 A61 L84 L90	I7-L51 HydrophobicContact CD1-CD1 3.75Å; I7-L51 HydrophobicContact CG1-CD1 4.33Å; W22-L51 HydrophobicContact CH2-CB 3.84Å; W22-L51 HydrophobicContact CZ2-CB 4.21Å; W22-L51 WeakPolarHBondContact CZ2-O 3.39Å; W22-L51 HydrophobicContact CZ3-CB 4.23Å; L26-L51 CarbonylContact C-O 2.97Å; L26-L51 WeakPolarHBondContact CA-O 3.39Å; C27-L51 HydrophobicContact CB-CB 3.96Å; C27-L51 HydrophobicContact CB-CD1 4.44Å; C27-L51 HydrophobicContact CB-CG 4.3Å; C27-L51 PolarHBondContact N-O 2.71Å; C27-L51 PolarHBondContact O-N 3.32Å; I29-L51 HydrophobicContact CD1-CD1 4.36Å; I29-L51 HydrophobicContact CD1-CG 4.4Å; L51-V59 HydrophobicContact CB-CG1 4.16Å; L51-Q60 CarbonylContact C-O 3.26Å; L51-Q60 WeakPolarHBondContact CA-O 3.46Å; L51-A61 HydrophobicContact CD2-CB 3.55Å; L51-L84 HydrophobicContact CD2-CD1 4.09Å; L51-L90 HydrophobicContact CD1-CD1 4.05Å; L51-L90 HydrophobicContact CD2-CD1 3.8Å; L51-L90 HydrophobicContact CG-CD1 4.5Å
52	Q	97.9	Very high	97	Very high	85 Å²	85	48.2 Å²	48.2	40%	0.397	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.5	179.8	-175.3	169.4	-4.9	0	0	109.1	P25 L26 V59 Q60	P25-Q52 WeakPolarHBondContact O-CA 3.16Å; L26-Q52 HydrophobicContact CD1-CB 4.19Å; L26-Q52 HydrophobicContact CD1-CG 4.21Å; Q52-V59 CarbonylContact O-C 3.5Å; Q52-V59 WeakPolarHBondContact O-CA 3.4Å; Q52-Q60 PolarHBondContact N-O 2.83Å; Q52-Q60 PolarHBondContact O-N 2.72Å
53	L	97.5	Very high	97.1	Very high	48 Å²	48	43.9 Å²	43.9	25%	0.251	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	119.8	169.1	179.8	70.3	0	0	0	108.3	W22 P25 V59 R105	W22-L53 HydrophobicContact CH2-CB 4.35Å; P25-L53 PolarHBondContact O-N 3.48Å; L53-V59 HydrophobicContact CD1-CG2 4.33Å; L53-R105 VanDerWaalsContact CD1-NH1 3.3Å
54	L	97.3	Very high	97.2	Very high	46 Å²	46	47.5 Å²	47.5	24%	0.241	24%	0.241	C	C	.	.			trans	-81.3	160.8	172.3	-68.3	178.4	0	0	0	110.7	D56 G57 L58 Q60 V83	L54-D56 WeakPolarHBondContact CB-OD1 3.08Å; L54-D56 PolarHBondContact O-N 2.94Å; L54-G57 PolarHBondContact O-N 2.95Å; L54-L58 PolarHBondContact N-O 2.93Å; L54-Q60 HydrophobicContact CD1-CB 3.96Å; L54-Q60 HydrophobicContact CD2-CB 4.41Å; L54-Q60 HydrophobicContact CG-CB 4.02Å; L54-V83 HydrophobicContact CD1-CG2 4.18Å
55	K	95.4	Very high	97.1	Very high	228 Å²	228	48.2 Å²	48.2	99%	0.991	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.5	-175.6	-66.9	-174.8	178.4	-177.8	0	113.6	G57	K55-G57 VanDerWaalsContact C-N 3.26Å; K55-G57 PolarHBondContact O-N 2.8Å
56	D	94.6	Very high	96.8	Very high	104 Å²	104	52.9 Å²	52.9	56%	0.556	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.4	174.4	55.1	15.3	0	0	0	113.8	L54 L58	L54-D56 WeakPolarHBondContact CB-OD1 3.08Å; L54-D56 PolarHBondContact O-N 2.94Å; D56-L58 HydrophobicContact CB-CG 4.48Å; D56-L58 VanDerWaalsContact OD1-CB 3.27Å; D56-L58 WeakPolarHBondContact OD1-CB 3.04Å; D56-L58 PolarHBondContact OD1-N 2.64Å; D56-L58 WeakPolarHBondContact OD2-CD1 3.16Å
57	G	94.8	Very high	96.4	Very high	17 Å²	17	51.6 Å²	51.6	18%	0.175	27%	0.267	C	S	.	.	S	Bend	trans	86.7	2.1	-175.5	0	0	0	0	0	114.8	L54 K55 R105	L54-G57 PolarHBondContact O-N 2.95Å; K55-G57 VanDerWaalsContact C-N 3.26Å; K55-G57 PolarHBondContact O-N 2.8Å; G57-R105 PolarHBondContact O-NH1 2.67Å
58	L	96.6	Very high	95.9	Very high	52 Å²	52	57.4 Å²	57.4	27%	0.272	29%	0.287	S	S	.	.			trans	-80.4	163.6	171.5	-56.8	-179.5	0	0	0	110.9	L54 D56 V83 T107	L54-L58 PolarHBondContact N-O 2.93Å; D56-L58 HydrophobicContact CB-CG 4.48Å; D56-L58 VanDerWaalsContact OD1-CB 3.27Å; D56-L58 WeakPolarHBondContact OD1-CB 3.04Å; D56-L58 PolarHBondContact OD1-N 2.64Å; D56-L58 WeakPolarHBondContact OD2-CD1 3.16Å; L58-V83 HydrophobicContact CB-CG1 3.9Å; L58-V83 HydrophobicContact CD1-CG1 4.1Å; L58-T107 HydrophobicContact CD2-CG2 3.55Å
59	V	97.8	Very high	95.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114	-175	173.2	0	0	0	0	110	W22 L51 Q52 L53 V83 L84 F99 Y101	W22-V59 HydrophobicContact CH2-CG1 3.95Å; W22-V59 HydrophobicContact CH2-CG2 4.24Å; W22-V59 HydrophobicContact CZ3-CB 4.24Å; W22-V59 HydrophobicContact CZ3-CG1 3.56Å; W22-V59 HydrophobicContact CZ3-CG2 3.6Å; L51-V59 HydrophobicContact CB-CG1 4.16Å; Q52-V59 CarbonylContact O-C 3.5Å; Q52-V59 WeakPolarHBondContact O-CA 3.4Å; L53-V59 HydrophobicContact CD1-CG2 4.33Å; V59-V83 WeakPolarHBondContact O-CA 3.12Å; V59-L84 HydrophobicContact CG1-CD1 4.16Å; V59-L84 PolarHBondContact O-N 3.44Å; V59-F99 HydrophobicContact CB-CE1 4.27Å; V59-F99 HydrophobicContact CB-CE2 4.46Å; V59-F99 HydrophobicContact CB-CZ 4.01Å; V59-F99 HydrophobicContact CG1-CE2 4.14Å; V59-F99 HydrophobicContact CG1-CZ 4.19Å; V59-F99 HydrophobicContact CG2-CE1 4.23Å; V59-F99 HydrophobicContact CG2-CE2 4.22Å; V59-F99 HydrophobicContact CG2-CZ 3.63Å; V59-Y101 HydrophobicContact CB-CE1 4.4Å; V59-Y101 HydrophobicContact CG2-CE1 3.92Å; V59-Y101 PolarHBondContact N-OH 2.91Å
60	Q	98.1	Very high	95.3	Very high	50 Å²	50	65.4 Å²	65.4	23%	0.234	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.6	177.6	-165.2	178.6	42.9	0	0	110.1	L51 Q52 L54 A81	L51-Q60 CarbonylContact C-O 3.26Å; L51-Q60 WeakPolarHBondContact CA-O 3.46Å; Q52-Q60 PolarHBondContact N-O 2.83Å; Q52-Q60 PolarHBondContact O-N 2.72Å; L54-Q60 HydrophobicContact CD1-CB 3.96Å; L54-Q60 HydrophobicContact CD2-CB 4.41Å; L54-Q60 HydrophobicContact CG-CB 4.02Å; Q60-A81 HydrophobicContact CG-CB 3.91Å
61	A	98.4	Very high	95.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131	168.6	0	0	0	0	0	109.6	T50 L51 M71 L78 A81 C82 L84 L90	T50-A61 WeakPolarHBondContact O-CA 3.08Å; L51-A61 HydrophobicContact CD2-CB 3.55Å; A61-M71 HydrophobicContact CB-CE 3.91Å; A61-L78 HydrophobicContact CB-CD2 4.46Å; A61-L78 WeakPolarHBondContact O-CD2 3.34Å; A61-A81 CarbonylContact O-C 2.83Å; A61-A81 WeakPolarHBondContact O-CA 2.78Å; A61-C82 PolarHBondContact N-O 3.37Å; A61-C82 PolarHBondContact O-N 3.25Å; A61-L84 HydrophobicContact CB-CD1 4.14Å; A61-L84 HydrophobicContact CB-CD2 3.76Å; A61-L84 HydrophobicContact CB-CG 3.98Å; A61-L90 HydrophobicContact CB-CD2 4.39Å
62	V	97.9	Very high	95.2	Very high	42 Å²	42	67.7 Å²	67.7	26%	0.255	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.9	178.5	-172.4	0	0	0	0	108.2	C49 T50 A81	C49-V62 CarbonylContact C-O 3.16Å; C49-V62 VanDerWaalsContact CA-O 3.23Å; C49-V62 WeakPolarHBondContact CA-O 3.41Å; C49-V62 VanDerWaalsContact CB-O 3.3Å; C49-V62 WeakPolarHBondContact CB-O 3.3Å; T50-V62 PolarHBondContact N-O 2.87Å; T50-V62 PolarHBondContact O-N 2.76Å; V62-A81 HydrophobicContact CG2-CB 3.97Å
63	S	97.6	Very high	95.2	Very high	18 Å²	18	64.2 Å²	64.2	13%	0.126	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.8	169.7	-166.6	0	0	0	0	109.5	V65 D80	S63-V65 PolarHBondContact OG-N 3.48Å; S63-V65 PolarHBondContact OG-O 2.85Å; S63-D80 PolarHBondContact N-O 2.79Å
64	R	96.7	Very high	95.2	Very high	117 Å²	117	64.9 Å²	64.9	44%	0.442	32%	0.319	S	S	.	.			trans	-101.2	10.5	168.3	-73.3	-161.7	-174.3	146.8	13.8	112.2	D28 H48 T50	D28-R64 IonicContact OD1-CZ 2.73Å; D28-R64 VanDerWaalsContact OD1-CZ 3.3Å; D28-R64 IonicContact OD1-NH1 2.65Å; D28-R64 PolarHBondContact OD1-NH1 3.02Å; D28-R64 IonicContact OD1-NH2 3.45Å; D28-R64 PolarHBondContact OD1-NH2 2.81Å; D28-R64 IonicContact OD2-CZ 2.85Å; D28-R64 IonicContact OD2-NH1 3.63Å; D28-R64 PolarHBondContact OD2-NH1 3.18Å; D28-R64 IonicContact OD2-NH2 3.14Å; D28-R64 PolarHBondContact OD2-NH2 2.96Å; H48-R64 PolarHBondContact O-N 2.85Å; T50-R64 PolarHBondContact OG1-NE 2.73Å; T50-R64 PolarHBondContact OG1-NH2 3.39Å
65	V	95	Very high	95.2	Very high	22 Å²	22	67.5 Å²	67.5	13%	0.133	33%	0.334	C	S	.	.			trans	-142	125.5	-171.5	-177.3	0	0	0	0	112.5	A45 F47 H48 S63	A45-V65 HydrophobicContact CB-CG1 4.45Å; A45-V65 HydrophobicContact CB-CG2 3.46Å; A45-V65 VanDerWaalsContact CB-CG2 3.46Å; F47-V65 WeakPolarHBondContact O-CG2 3.23Å; H48-V65 HydrophobicContact CB-CG2 4.44Å; S63-V65 PolarHBondContact OG-N 3.48Å; S63-V65 PolarHBondContact OG-O 2.85Å
66	D	91.5	Very high	95.2	Very high	122 Å²	122	64.1 Å²	64.1	65%	0.652	32%	0.32	S	S	*	.			trans	-92.2	170.5	173.2	-79.4	-62.1	0	0	0	114.8	K70	D66-K70 IonicContact OD1-NZ 2.67Å; D66-K70 PolarHBondContact OD1-NZ 2.92Å
67	G	88.8	Confident	95.3	Very high	50 Å²	50	62.8 Å²	62.8	52%	0.515	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	74	-137	173.8	0	0	0	0	0	114.2	Y69 K70	G67-Y69 PolarHBondContact O-N 2.61Å; G67-Y69 VanDerWaalsContact O-N 3.12Å; G67-K70 WeakPolarHBondContact O-CG 3.35Å; G67-K70 PolarHBondContact O-N 2.79Å
68	R	86.3	Confident	95.4	Very high	198 Å²	198	62.8 Å²	62.8	75%	0.747	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-71.3	-5.8	-169.9	-60.9	-168.5	-166.2	176.4	11.4	114.8	D526	R68-D526 IonicContact CZ-OD2 2.63Å; R68-D526 IonicContact NH1-OD2 2.66Å; R68-D526 PolarHBondContact NH1-OD2 3.11Å
69	Y	88.9	Confident	95.3	Very high	113 Å²	113	64.6 Å²	64.6	44%	0.443	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-117.8	26.4	179.5	-50.8	-61.2	0	0	0	112	T43 H48 G67 M71	T43-Y69 HydrophobicContact CG2-CE1 4.14Å; T43-Y69 WeakPolarHBondContact O-CD1 3.31Å; H48-Y69 PolarHBondContact CE1-O 3.3Å; G67-Y69 PolarHBondContact O-N 2.61Å; G67-Y69 VanDerWaalsContact O-N 3.12Å; Y69-M71 PolarHBondContact O-N 3.36Å
70	K	93.2	Very high	95.1	Very high	56 Å²	56	70.5 Å²	70.5	24%	0.243	35%	0.354	C	S	.	.			trans	-54.8	133.7	168.6	-79.8	173.5	-175.9	-82.7	0	110.4	D66 G67 P77 N79	D66-K70 IonicContact OD1-NZ 2.67Å; D66-K70 PolarHBondContact OD1-NZ 2.92Å; G67-K70 WeakPolarHBondContact O-CG 3.35Å; G67-K70 PolarHBondContact O-N 2.79Å; K70-P77 HydrophobicContact CD-CB 4.5Å; K70-N79 WeakPolarHBondContact CE-OD1 3.43Å; K70-N79 PolarHBondContact NZ-OD1 3.46Å
71	M	97.2	Very high	95	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.361	C	S	.	.			trans	-61.9	145.6	167.7	173.8	172.6	59.2	0	0	109.6	C49 A61 Y69 V73 L78 L90 T91 V92	C49-M71 HydrophobicContact CB-CB 4.48Å; C49-M71 HydrophobicContact CB-CE 3.53Å; C49-M71 HydrophobicContact CB-SD 3.51Å; C49-M71 VanDerWaalsContact CB-SD 3.51Å; C49-M71 PolarHBondContact SG-SD 3.01Å; A61-M71 HydrophobicContact CB-CE 3.91Å; Y69-M71 PolarHBondContact O-N 3.36Å; M71-V73 HydrophobicContact CE-CG2 4.4Å; M71-L78 HydrophobicContact CE-CD2 3.46Å; M71-L78 VanDerWaalsContact CE-CD2 3.46Å; M71-L78 PolarHBondContact O-N 3.34Å; M71-L90 HydrophobicContact SD-CB 4.36Å; M71-L90 HydrophobicContact SD-CD2 4.16Å; M71-T91 WeakPolarHBondContact CA-O 3.46Å; M71-V92 HydrophobicContact CG-CG2 4.33Å; M71-V92 HydrophobicContact SD-CG2 4.24Å
72	L	97.8	Very high	95	Very high	53 Å²	53	72.4 Å²	72.4	28%	0.277	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.9	170.1	-37.9	177.3	0	0	0	110.7	F76 P77 L90 T91	L72-F76 CarbonylContact C-O 2.82Å; L72-F76 WeakPolarHBondContact CA-O 3.48Å; L72-P77 HydrophobicContact CD2-CB 3.88Å; L72-L90 CarbonylContact O-C 3.59Å; L72-L90 WeakPolarHBondContact O-CA 3.24Å; L72-T91 HydrophobicContact CD1-CG2 4.42Å; L72-T91 PolarHBondContact N-O 2.96Å; L72-T91 PolarHBondContact O-N 3.13Å
73	V	98.1	Very high	95	Very high	12 Å²	12	73.4 Å²	73.4	7%	0.073	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.8	168.7	-176.4	0	0	0	0	107.9	M71 N75 F76 L78 L84 L90	M71-V73 HydrophobicContact CE-CG2 4.4Å; V73-N75 PolarHBondContact O-N 2.73Å; V73-N75 VanDerWaalsContact O-N 3.1Å; V73-F76 PolarHBondContact N-O 3.2Å; V73-F76 WeakPolarHBondContact O-CB 3.48Å; V73-F76 PolarHBondContact O-N 3.14Å; V73-L78 HydrophobicContact CG2-CB 4.22Å; V73-L78 HydrophobicContact CG2-CD2 4.25Å; V73-L84 HydrophobicContact CG1-CD2 3.82Å; V73-L84 HydrophobicContact CG2-CD2 4.36Å; V73-L90 HydrophobicContact CG1-CD2 4.43Å; V73-L90 HydrophobicContact CG2-CD2 3.91Å
74	N	97.5	Very high	95	Very high	62 Å²	62	72.6 Å²	72.6	33%	0.332	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	30.9	-174.1	-61.6	-31	0	0	0	114	F76 C88 I89	N74-F76 VanDerWaalsContact C-N 3.31Å; N74-F76 HydrophobicContact CB-CD2 4.39Å; N74-C88 PolarHBondContact ND2-SG 2.8Å; N74-C88 WeakPolarHBondContact OD1-CA 3.05Å; N74-I89 PolarHBondContact N-O 3.46Å; N74-I89 PolarHBondContact OD1-N 2.75Å
75	N	96.8	Very high	95	Very high	102 Å²	102	70 Å²	70	55%	0.545	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	-1.5	-172.7	-42.2	-84.9	0	0	0	116.3	V73	V73-N75 PolarHBondContact O-N 2.73Å; V73-N75 VanDerWaalsContact O-N 3.1Å
76	F	96.7	Very high	95.1	Very high	157 Å²	157	72.3 Å²	72.3	69%	0.689	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.8	170.2	-62.6	-86.1	0	0	0	110.1	L72 V73 N74 L78	L72-F76 CarbonylContact C-O 2.82Å; L72-F76 WeakPolarHBondContact CA-O 3.48Å; V73-F76 PolarHBondContact N-O 3.2Å; V73-F76 WeakPolarHBondContact O-CB 3.48Å; V73-F76 PolarHBondContact O-N 3.14Å; N74-F76 VanDerWaalsContact C-N 3.31Å; N74-F76 HydrophobicContact CB-CD2 4.39Å; F76-L78 PolarHBondContact O-N 3.11Å
77	P	96.7	Very high	95.4	Very high	75 Å²	75	70.1 Å²	70.1	49%	0.487	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.2	178.6	28.1	-33.5	0	0	0	110.3	K70 L72 N79	K70-P77 HydrophobicContact CD-CB 4.5Å; L72-P77 HydrophobicContact CD2-CB 3.88Å; P77-N79 PolarHBondContact O-N 2.93Å
78	L	96.8	Very high	95.9	Very high	17 Å²	17	67.9 Å²	67.9	9%	0.089	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-78.7	120.8	171.9	-175.5	61.6	0	0	0	108.9	A61 M71 V73 F76 D80 C82	A61-L78 HydrophobicContact CB-CD2 4.46Å; A61-L78 WeakPolarHBondContact O-CD2 3.34Å; M71-L78 HydrophobicContact CE-CD2 3.46Å; M71-L78 VanDerWaalsContact CE-CD2 3.46Å; M71-L78 PolarHBondContact O-N 3.34Å; V73-L78 HydrophobicContact CG2-CB 4.22Å; V73-L78 HydrophobicContact CG2-CD2 4.25Å; F76-L78 PolarHBondContact O-N 3.11Å; L78-D80 VanDerWaalsContact CD2-O 3.31Å; L78-D80 WeakPolarHBondContact CD2-O 3.38Å; L78-D80 VanDerWaalsContact CG-O 3.24Å; L78-D80 WeakPolarHBondContact CG-O 3.02Å; L78-C82 HydrophobicContact CD1-CB 3.44Å; L78-C82 VanDerWaalsContact CD1-CB 3.44Å; L78-C82 HydrophobicContact CD2-CB 4.26Å
79	N	93.6	Very high	96.4	Very high	90 Å²	90	60.3 Å²	60.3	48%	0.481	32%	0.323	S	S	.	.	S	Bend	trans	-85.5	-49.4	169	-66.1	-34.7	0	0	0	110.2	K70 P77	K70-N79 WeakPolarHBondContact CE-OD1 3.43Å; K70-N79 PolarHBondContact NZ-OD1 3.46Å; P77-N79 PolarHBondContact O-N 2.93Å
80	D	92.9	Very high	96.9	Very high	125 Å²	125	55 Å²	55	67%	0.668	30%	0.302	S	S	*	.	S	Bend	trans	-113.4	-132.7	-166.1	-44.5	-75.2	0	0	0	111.5	S63 L78	S63-D80 PolarHBondContact N-O 2.79Å; L78-D80 VanDerWaalsContact CD2-O 3.31Å; L78-D80 WeakPolarHBondContact CD2-O 3.38Å; L78-D80 VanDerWaalsContact CG-O 3.24Å; L78-D80 WeakPolarHBondContact CG-O 3.02Å
81	A	97	Very high	97.1	Very high	46 Å²	46	53 Å²	53	38%	0.38	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.7	172	0	0	0	0	0	110.9	Q60 A61 V62	Q60-A81 HydrophobicContact CG-CB 3.91Å; A61-A81 CarbonylContact O-C 2.83Å; A61-A81 WeakPolarHBondContact O-CA 2.78Å; V62-A81 HydrophobicContact CG2-CB 3.97Å
82	C	97.7	Very high	97.1	Very high	44 Å²	44	53 Å²	53	30%	0.297	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.1	-176.8	175.7	0	0	0	0	111.1	A61 L78	A61-C82 PolarHBondContact N-O 3.37Å; A61-C82 PolarHBondContact O-N 3.25Å; L78-C82 HydrophobicContact CD1-CB 3.44Å; L78-C82 VanDerWaalsContact CD1-CB 3.44Å; L78-C82 HydrophobicContact CD2-CB 4.26Å
83	V	97.9	Very high	97	Very high	63 Å²	63	52 Å²	52	38%	0.382	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.8	171.5	-178.6	0	0	0	0	109.6	L54 L58 V59	L54-V83 HydrophobicContact CD1-CG2 4.18Å; L58-V83 HydrophobicContact CB-CG1 3.9Å; L58-V83 HydrophobicContact CD1-CG1 4.1Å; V59-V83 WeakPolarHBondContact O-CA 3.12Å
84	L	98.1	Very high	96.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.1	178.2	-56.8	-173.5	0	0	0	110.5	L51 V59 A61 V73 C88 L90 F99 Y101	L51-L84 HydrophobicContact CD2-CD1 4.09Å; V59-L84 HydrophobicContact CG1-CD1 4.16Å; V59-L84 PolarHBondContact O-N 3.44Å; A61-L84 HydrophobicContact CB-CD1 4.14Å; A61-L84 HydrophobicContact CB-CD2 3.76Å; A61-L84 HydrophobicContact CB-CG 3.98Å; V73-L84 HydrophobicContact CG1-CD2 3.82Å; V73-L84 HydrophobicContact CG2-CD2 4.36Å; L84-C88 HydrophobicContact CB-CB 4.11Å; L84-C88 HydrophobicContact CD2-CB 4.17Å; L84-L90 HydrophobicContact CD1-CD1 4.13Å; L84-L90 HydrophobicContact CD1-CD2 3.89Å; L84-L90 HydrophobicContact CD1-CG 4.35Å; L84-L90 HydrophobicContact CD2-CD2 3.71Å; L84-L90 HydrophobicContact CG-CD2 4.47Å; L84-F99 HydrophobicContact CB-CD1 4.22Å; L84-F99 HydrophobicContact CD1-CB 3.97Å; L84-F99 HydrophobicContact CD1-CD1 4.43Å; L84-F99 HydrophobicContact CD1-CD2 4.41Å; L84-F99 HydrophobicContact CD1-CG 3.99Å; L84-Y101 VanDerWaalsContact O-CE2 3.22Å; L84-Y101 WeakPolarHBondContact O-CE2 3.48Å; L84-Y101 PolarHBondContact O-OH 2.63Å
85	T	97.3	Very high	96.8	Very high	62 Å²	62	52 Å²	52	38%	0.38	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-90.5	169.2	166.5	53.5	0	0	0	0	110.9	C88 L113	T85-C88 WeakPolarHBondContact O-CB 3.27Å; T85-C88 PolarHBondContact O-N 2.91Å; T85-C88 PolarHBondContact OG1-SG 2.78Å; T85-L113 HydrophobicContact CG2-CD1 4Å
86	D	97.1	Very high	96.9	Very high	70 Å²	70	50.3 Å²	50.3	37%	0.374	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	139.9	174.2	-166.4	53.6	0	0	0	111.1	C88 F100 Y101	D86-C88 VanDerWaalsContact C-N 3.31Å; D86-C88 PolarHBondContact O-N 3Å; D86-F100 WeakPolarHBondContact OD1-CA 3.41Å; D86-Y101 HydrophobicContact CB-CD2 4.14Å; D86-Y101 PolarHBondContact OD1-N 2.99Å
87	N	97.4	Very high	96.9	Very high	77 Å²	77	42.8 Å²	42.8	41%	0.412	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	4.8	-172.9	-53.5	-94.6	0	0	0	116.9	I89 R98 F99 F100	N87-I89 PolarHBondContact O-N 3.1Å; N87-R98 VanDerWaalsContact O-CG 3.26Å; N87-R98 WeakPolarHBondContact O-CG 3.19Å; N87-F99 CarbonylContact C-O 3.52Å; N87-F99 WeakPolarHBondContact CA-O 3.39Å; N87-F99 PolarHBondContact N-O 3.48Å; N87-F100 WeakPolarHBondContact OD1-CE1 3.44Å
88	C	98.1	Very high	97	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.02	24%	0.236	C	C	.	.			trans	-51.9	131.2	177.8	-106.5	0	0	0	0	113	N74 L84 T85 D86 R98 F99	N74-C88 PolarHBondContact ND2-SG 2.8Å; N74-C88 WeakPolarHBondContact OD1-CA 3.05Å; L84-C88 HydrophobicContact CB-CB 4.11Å; L84-C88 HydrophobicContact CD2-CB 4.17Å; T85-C88 WeakPolarHBondContact O-CB 3.27Å; T85-C88 PolarHBondContact O-N 2.91Å; T85-C88 PolarHBondContact OG1-SG 2.78Å; D86-C88 VanDerWaalsContact C-N 3.31Å; D86-C88 PolarHBondContact O-N 3Å; C88-R98 CarbonylContact O-C 2.96Å; C88-R98 WeakPolarHBondContact O-CA 3.19Å; C88-F99 HydrophobicContact CB-CB 4.47Å; C88-F99 PolarHBondContact O-N 3.12Å
89	I	98.4	Very high	97.1	Very high	38 Å²	38	40.8 Å²	40.8	20%	0.195	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	107.8	178.6	-59.2	175.7	0	0	0	110.3	I10 N74 N87 Q96 F97 R98	I10-I89 HydrophobicContact CD1-CD1 4.31Å; I10-I89 HydrophobicContact CD1-CG1 4.2Å; I10-I89 HydrophobicContact CD1-CG2 4.08Å; N74-I89 PolarHBondContact N-O 3.46Å; N74-I89 PolarHBondContact OD1-N 2.75Å; N87-I89 PolarHBondContact O-N 3.1Å; I89-Q96 HydrophobicContact CG2-CB 4.18Å; I89-Q96 HydrophobicContact CG2-CG 4.27Å; I89-F97 CarbonylContact C-O 3.32Å; I89-F97 WeakPolarHBondContact CA-O 3.36Å; I89-R98 HydrophobicContact CG1-CG 4.14Å
90	L	98.3	Very high	97.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.4	170.4	-51.1	176.5	0	0	0	109.8	L51 A61 M71 L72 V73 L84 Q96 F97	L51-L90 HydrophobicContact CD1-CD1 4.05Å; L51-L90 HydrophobicContact CD2-CD1 3.8Å; L51-L90 HydrophobicContact CG-CD1 4.5Å; A61-L90 HydrophobicContact CB-CD2 4.39Å; M71-L90 HydrophobicContact SD-CB 4.36Å; M71-L90 HydrophobicContact SD-CD2 4.16Å; L72-L90 CarbonylContact O-C 3.59Å; L72-L90 WeakPolarHBondContact O-CA 3.24Å; V73-L90 HydrophobicContact CG1-CD2 4.43Å; V73-L90 HydrophobicContact CG2-CD2 3.91Å; L84-L90 HydrophobicContact CD1-CD1 4.13Å; L84-L90 HydrophobicContact CD1-CD2 3.89Å; L84-L90 HydrophobicContact CD1-CG 4.35Å; L84-L90 HydrophobicContact CD2-CD2 3.71Å; L84-L90 HydrophobicContact CG-CD2 4.47Å; L90-Q96 CarbonylContact O-C 2.83Å; L90-Q96 VanDerWaalsContact O-CA 3.26Å; L90-Q96 WeakPolarHBondContact O-CA 3.15Å; L90-F97 HydrophobicContact CB-CB 4.34Å; L90-F97 PolarHBondContact N-O 2.8Å; L90-F97 PolarHBondContact O-N 2.91Å
91	T	97.9	Very high	97.5	Very high	16 Å²	16	33.8 Å²	33.8	10%	0.098	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.2	173.3	-50.4	0	0	0	0	109.8	M71 L72 R95 Q96	M71-T91 WeakPolarHBondContact CA-O 3.46Å; L72-T91 HydrophobicContact CD1-CG2 4.42Å; L72-T91 PolarHBondContact N-O 2.96Å; L72-T91 PolarHBondContact O-N 3.13Å; T91-R95 CarbonylContact C-O 3.51Å; T91-R95 VanDerWaalsContact CA-O 3.32Å; T91-R95 WeakPolarHBondContact CA-O 3.02Å; T91-Q96 HydrophobicContact CG2-CG 3.97Å
92	V	97.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	102	-177.3	165.9	0	0	0	0	108.2	I29 V39 V44 H48 M71 D94 R95 F97	I29-V92 HydrophobicContact CG2-CG1 4.17Å; I29-V92 HydrophobicContact CG2-CG2 4.33Å; V39-V92 HydrophobicContact CG2-CG1 4.48Å; V44-V92 HydrophobicContact CB-CG1 4.43Å; V44-V92 HydrophobicContact CG1-CG1 3.72Å; V44-V92 HydrophobicContact CG2-CG1 3.79Å; H48-V92 HydrophobicContact CB-CG1 4.38Å; H48-V92 WeakPolarHBondContact CD2-CG1 3.36Å; H48-V92 WeakPolarHBondContact NE2-CA 3.42Å; M71-V92 HydrophobicContact CG-CG2 4.33Å; M71-V92 HydrophobicContact SD-CG2 4.24Å; V92-D94 PolarHBondContact O-N 2.68Å; V92-D94 VanDerWaalsContact O-N 3.16Å; V92-R95 PolarHBondContact N-O 2.69Å; V92-R95 PolarHBondContact O-N 2.64Å; V92-F97 HydrophobicContact CB-CD2 4.48Å; V92-F97 HydrophobicContact CB-CE2 4.03Å; V92-F97 HydrophobicContact CG2-CE2 4.45Å
93	G	95.9	Very high	97.1	Very high	32 Å²	32	35.5 Å²	35.5	33%	0.33	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-112.6	-172.5	0	0	0	0	0	112.6	T43	T43-G93 VanDerWaalsContact OG1-CA 3.31Å; T43-G93 WeakPolarHBondContact OG1-CA 2.75Å
94	D	94.6	Very high	96.5	Very high	46 Å²	46	37.6 Å²	37.6	25%	0.246	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	3.3	175.8	94.3	-63.9	0	0	0	113.8	R12 H41 V92	R12-D94 IonicContact CZ-OD2 3.74Å; R12-D94 IonicContact NE-OD2 3.21Å; R12-D94 PolarHBondContact NE-OD2 3.5Å; R12-D94 IonicContact NH2-OD2 3.45Å; R12-D94 PolarHBondContact NH2-OD2 3.49Å; H41-D94 IonicContact CD2-OD1 2.62Å; H41-D94 PolarHBondContact CD2-OD1 2.82Å; H41-D94 IonicContact CE1-OD1 2.66Å; H41-D94 IonicContact CG-OD1 2.67Å; H41-D94 IonicContact ND1-OD1 3.61Å; H41-D94 PolarHBondContact ND1-OD1 2.99Å; H41-D94 IonicContact NE2-OD1 3.4Å; V92-D94 PolarHBondContact O-N 2.68Å; V92-D94 VanDerWaalsContact O-N 3.16Å
95	R	96.4	Very high	95.5	Very high	26 Å²	26	41 Å²	41	10%	0.098	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.9	-170.3	-60.6	-45.3	-154	140.3	9	112	V39 T91 V92 F97 P187 I189	V39-R95 HydrophobicContact CG1-CB 4.23Å; V39-R95 HydrophobicContact CG1-CG 3.56Å; T91-R95 CarbonylContact C-O 3.51Å; T91-R95 VanDerWaalsContact CA-O 3.32Å; T91-R95 WeakPolarHBondContact CA-O 3.02Å; V92-R95 PolarHBondContact N-O 2.69Å; V92-R95 PolarHBondContact O-N 2.64Å; R95-F97 HydrophobicContact CB-CE2 3.64Å; R95-F97 HydrophobicContact CB-CZ 4.03Å; R95-P187 PolarHBondContact NH2-O 3.02Å; R95-I189 HydrophobicContact CB-CD1 4.44Å; R95-I189 HydrophobicContact CG-CD1 3.96Å
96	Q	97.9	Very high	94	Very high	67 Å²	67	46.9 Å²	46.9	31%	0.313	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.5	177.1	-72.1	-178.3	-37.7	0	0	109.9	I10 I89 L90 T91	I10-Q96 WeakPolarHBondContact CA-O 3.4Å; I10-Q96 HydrophobicContact CB-CB 3.93Å; I10-Q96 WeakPolarHBondContact CB-O 3.34Å; I10-Q96 HydrophobicContact CD1-CB 4.19Å; I10-Q96 HydrophobicContact CG1-CB 4.37Å; I10-Q96 PolarHBondContact N-O 3.29Å; I89-Q96 HydrophobicContact CG2-CB 4.18Å; I89-Q96 HydrophobicContact CG2-CG 4.27Å; L90-Q96 CarbonylContact O-C 2.83Å; L90-Q96 VanDerWaalsContact O-CA 3.26Å; L90-Q96 WeakPolarHBondContact O-CA 3.15Å; T91-Q96 HydrophobicContact CG2-CG 3.97Å
97	F	98.3	Very high	92.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.3	178.9	-55.9	-99.9	0	0	0	107.4	I7 V8 V9 I37 V39 I89 L90 V92 R95 I189	I7-F97 HydrophobicContact CG2-CB 4.1Å; I7-F97 HydrophobicContact CG2-CD1 4.12Å; V8-F97 CarbonylContact O-C 3.57Å; V8-F97 VanDerWaalsContact O-CA 3.32Å; V8-F97 WeakPolarHBondContact O-CA 3.15Å; V9-F97 HydrophobicContact CB-CD1 4.34Å; V9-F97 HydrophobicContact CB-CE1 4.38Å; V9-F97 HydrophobicContact CG1-CD1 4.47Å; V9-F97 HydrophobicContact CG1-CE1 4.16Å; V9-F97 HydrophobicContact CG2-CD1 3.89Å; V9-F97 HydrophobicContact CG2-CE1 3.79Å; I37-F97 HydrophobicContact CG2-CD1 4.41Å; I37-F97 HydrophobicContact CG2-CE1 3.59Å; I37-F97 HydrophobicContact CG2-CZ 4.05Å; V39-F97 HydrophobicContact CG2-CE2 4.31Å; V39-F97 HydrophobicContact CG2-CZ 3.67Å; I89-F97 CarbonylContact C-O 3.32Å; I89-F97 WeakPolarHBondContact CA-O 3.36Å; L90-F97 HydrophobicContact CB-CB 4.34Å; L90-F97 PolarHBondContact N-O 2.8Å; L90-F97 PolarHBondContact O-N 2.91Å; V92-F97 HydrophobicContact CB-CD2 4.48Å; V92-F97 HydrophobicContact CB-CE2 4.03Å; V92-F97 HydrophobicContact CG2-CE2 4.45Å; R95-F97 HydrophobicContact CB-CE2 3.64Å; R95-F97 HydrophobicContact CB-CZ 4.03Å; F97-I189 HydrophobicContact CE1-CG2 4.49Å; F97-I189 HydrophobicContact CZ-CD1 4.44Å
98	R	98.4	Very high	90.3	Very high	50 Å²	50	45.9 Å²	45.9	19%	0.189	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128	171.5	-145.7	-173.9	-45.2	-109.7	1.6	109	V8 I10 D16 N87 C88 I89 F100	V8-R98 HydrophobicContact CB-CB 4.21Å; V8-R98 PolarHBondContact N-O 2.72Å; V8-R98 PolarHBondContact O-N 2.96Å; I10-R98 HydrophobicContact CD1-CB 4.06Å; I10-R98 HydrophobicContact CG1-CB 4.25Å; D16-R98 IonicContact OD1-CZ 3.18Å; D16-R98 IonicContact OD1-NE 2.66Å; D16-R98 PolarHBondContact OD1-NE 2.76Å; D16-R98 IonicContact OD1-NH2 3.29Å; D16-R98 PolarHBondContact OD1-NH2 3.03Å; D16-R98 IonicContact OD2-NH2 3.02Å; D16-R98 PolarHBondContact OD2-NH2 3.44Å; N87-R98 VanDerWaalsContact O-CG 3.26Å; N87-R98 WeakPolarHBondContact O-CG 3.19Å; C88-R98 CarbonylContact O-C 2.96Å; C88-R98 WeakPolarHBondContact O-CA 3.19Å; I89-R98 HydrophobicContact CG1-CG 4.14Å; R98-F100 HydrophobicContact CB-CD2 4.46Å; R98-F100 HydrophobicContact CB-CE2 4.02Å; R98-F100 HydrophobicContact CG-CE2 4.1Å; R98-F100 HydrophobicContact CG-CZ 4.48Å
99	F	98.4	Very high	88.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141	168.3	-174.9	-96.6	0	0	0	109.8	I7 W22 V59 L84 N87 C88 Y101	I7-F99 HydrophobicContact CG1-CD2 4.15Å; W22-F99 HydrophobicContact CE3-CE2 4.08Å; W22-F99 HydrophobicContact CZ3-CE2 4.2Å; V59-F99 HydrophobicContact CB-CE1 4.27Å; V59-F99 HydrophobicContact CB-CE2 4.46Å; V59-F99 HydrophobicContact CB-CZ 4.01Å; V59-F99 HydrophobicContact CG1-CE2 4.14Å; V59-F99 HydrophobicContact CG1-CZ 4.19Å; V59-F99 HydrophobicContact CG2-CE1 4.23Å; V59-F99 HydrophobicContact CG2-CE2 4.22Å; V59-F99 HydrophobicContact CG2-CZ 3.63Å; L84-F99 HydrophobicContact CB-CD1 4.22Å; L84-F99 HydrophobicContact CD1-CB 3.97Å; L84-F99 HydrophobicContact CD1-CD1 4.43Å; L84-F99 HydrophobicContact CD1-CD2 4.41Å; L84-F99 HydrophobicContact CD1-CG 3.99Å; N87-F99 CarbonylContact C-O 3.52Å; N87-F99 WeakPolarHBondContact CA-O 3.39Å; N87-F99 PolarHBondContact N-O 3.48Å; C88-F99 HydrophobicContact CB-CB 4.47Å; C88-F99 PolarHBondContact O-N 3.12Å; F99-Y101 HydrophobicContact CD1-CD2 4.38Å; F99-Y101 HydrophobicContact CD1-CE2 4.26Å; F99-Y101 AromaticContact CE1-CD1 3.88Å; F99-Y101 HydrophobicContact CE1-CD1 3.88Å; F99-Y101 AromaticContact CE1-CD2 3.76Å; F99-Y101 HydrophobicContact CE1-CD2 3.76Å; F99-Y101 AromaticContact CE1-CE1 3.83Å; F99-Y101 HydrophobicContact CE1-CE1 3.83Å; F99-Y101 AromaticContact CE1-CE2 3.69Å; F99-Y101 HydrophobicContact CE1-CE2 3.69Å; F99-Y101 AromaticContact CE1-CG 3.85Å; F99-Y101 HydrophobicContact CE1-CG 3.85Å; F99-Y101 AromaticContact CE1-CZ 3.73Å; F99-Y101 HydrophobicContact CZ-CD1 4.23Å; F99-Y101 HydrophobicContact CZ-CE1 4.22Å
100	F	97.8	Very high	86.2	Confident	56 Å²	56	53.2 Å²	53.2	25%	0.246	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140	169.4	-69.7	-94.7	0	0	0	110.1	G5 H6 V8 D86 N87 R98	G5-F100 CarbonylContact C-O 3.56Å; G5-F100 WeakPolarHBondContact CA-O 3.01Å; H6-F100 HydrophobicContact CB-CB 4.41Å; H6-F100 PolarHBondContact N-O 2.86Å; H6-F100 PolarHBondContact O-N 2.8Å; V8-F100 HydrophobicContact CB-CD2 4.42Å; V8-F100 HydrophobicContact CB-CE2 4.14Å; V8-F100 HydrophobicContact CG2-CD2 3.62Å; V8-F100 HydrophobicContact CG2-CE2 3.61Å; D86-F100 WeakPolarHBondContact OD1-CA 3.41Å; N87-F100 WeakPolarHBondContact OD1-CE1 3.44Å; R98-F100 HydrophobicContact CB-CD2 4.46Å; R98-F100 HydrophobicContact CB-CE2 4.02Å; R98-F100 HydrophobicContact CG-CE2 4.1Å; R98-F100 HydrophobicContact CG-CZ 4.48Å
101	Y	97.1	Very high	84	Confident	12 Å²	12	57.9 Å²	57.9	5%	0.047	32%	0.316	C	S	.	.			trans	-77.3	154.9	166.3	-75.1	-79.2	0	0	0	110.8	V59 L84 D86 F99	V59-Y101 HydrophobicContact CB-CE1 4.4Å; V59-Y101 HydrophobicContact CG2-CE1 3.92Å; V59-Y101 PolarHBondContact N-OH 2.91Å; L84-Y101 VanDerWaalsContact O-CE2 3.22Å; L84-Y101 WeakPolarHBondContact O-CE2 3.48Å; L84-Y101 PolarHBondContact O-OH 2.63Å; D86-Y101 HydrophobicContact CB-CD2 4.14Å; D86-Y101 PolarHBondContact OD1-N 2.99Å; F99-Y101 HydrophobicContact CD1-CD2 4.38Å; F99-Y101 HydrophobicContact CD1-CE2 4.26Å; F99-Y101 AromaticContact CE1-CD1 3.88Å; F99-Y101 HydrophobicContact CE1-CD1 3.88Å; F99-Y101 AromaticContact CE1-CD2 3.76Å; F99-Y101 HydrophobicContact CE1-CD2 3.76Å; F99-Y101 AromaticContact CE1-CE1 3.83Å; F99-Y101 HydrophobicContact CE1-CE1 3.83Å; F99-Y101 AromaticContact CE1-CE2 3.69Å; F99-Y101 HydrophobicContact CE1-CE2 3.69Å; F99-Y101 AromaticContact CE1-CG 3.85Å; F99-Y101 HydrophobicContact CE1-CG 3.85Å; F99-Y101 AromaticContact CE1-CZ 3.73Å; F99-Y101 HydrophobicContact CZ-CD1 4.23Å; F99-Y101 HydrophobicContact CZ-CE1 4.22Å
102	P	94.7	Very high	81.9	Confident	8 Å²	8	66.2 Å²	66.2	5%	0.052	35%	0.347	C	S	.	.			trans	-63.9	138	170.2	-14.1	28.3	0	0	0	109.3	P3 S4 S104 R105	P3-P102 HydrophobicContact CG-CG 4.4Å; P3-P102 WeakPolarHBondContact O-CG 3.23Å; S4-P102 WeakPolarHBondContact O-CD 3.43Å; P102-S104 PolarHBondContact O-N 2.93Å; P102-R105 HydrophobicContact CG-CG 4.41Å; P102-R105 CarbonylContact O-C 2.92Å; P102-R105 WeakPolarHBondContact O-CA 3.5Å; P102-R105 PolarHBondContact O-N 2.77Å
103	P	91.7	Very high	79.7	Confident	117 Å²	117	72 Å²	72	76%	0.76	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.4	-178.8	-27.5	35.9	0	0	0	116.2
104	S	86.1	Confident	77.4	Confident	108 Å²	108	80.2 Å²	80.2	76%	0.755	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-33	168.6	49.6	0	0	0	0	112.9	P102 K106	P102-S104 PolarHBondContact O-N 2.93Å; S104-K106 PolarHBondContact O-N 3.08Å; S104-K106 VanDerWaalsContact O-N 3.11Å
105	R	76.4	Confident	75	Confident	71 Å²	71	83.9 Å²	83.9	27%	0.268	42%	0.415	S	S	.	.			trans	-83.7	68.7	167.3	-60	-169.2	-168.4	-178	6.1	109.4	L53 G57 P102 T107	L53-R105 VanDerWaalsContact CD1-NH1 3.3Å; G57-R105 PolarHBondContact O-NH1 2.67Å; P102-R105 HydrophobicContact CG-CG 4.41Å; P102-R105 CarbonylContact O-C 2.92Å; P102-R105 WeakPolarHBondContact O-CA 3.5Å; P102-R105 PolarHBondContact O-N 2.77Å; R105-T107 PolarHBondContact O-N 3.45Å
106	K	65	Low	72.4	Confident	186 Å²	186	87.6 Å²	87.6	81%	0.809	45%	0.452	S	S	*	.			trans	-68	88.3	155.4	-72.2	-171.5	178.6	-174.2	0	107.4	S104 T108	S104-K106 PolarHBondContact O-N 3.08Å; S104-K106 VanDerWaalsContact O-N 3.11Å; K106-T108 PolarHBondContact O-N 2.8Å
107	T	61.6	Low	69.8	Low	47 Å²	47	88.1 Å²	88.1	29%	0.288	46%	0.462	S	S	.	.			trans	-53	128.5	162.2	49.5	0	0	0	0	107.6	L58 R105 S109	L58-T107 HydrophobicContact CD2-CG2 3.55Å; R105-T107 PolarHBondContact O-N 3.45Å; T107-S109 PolarHBondContact O-N 2.84Å; T107-S109 PolarHBondContact O-OG 2.82Å
108	T	55.7	Low	67.2	Low	80 Å²	80	92.5 Å²	92.5	49%	0.491	49%	0.493	S	S	.	.			trans	-73.4	55.1	171.1	37.7	0	0	0	0	110	K106 D110 D111 Y112	K106-T108 PolarHBondContact O-N 2.8Å; T108-D110 PolarHBondContact O-N 2.78Å; T108-D111 WeakPolarHBondContact CB-OD2 3.21Å; T108-D111 PolarHBondContact O-N 3.29Å; T108-D111 VanDerWaalsContact O-N 3.13Å; T108-Y112 PolarHBondContact O-N 2.73Å
109	S	56.9	Low	64.7	Low	46 Å²	46	98 Å²	98	32%	0.322	52%	0.518	S	S	.	.	H	α-helix	trans	-71.3	-16.8	-177.1	51.9	0	0	0	0	113.1	T107	T107-S109 PolarHBondContact O-N 2.84Å; T107-S109 PolarHBondContact O-OG 2.82Å
110	D	53.2	Low	62.1	Low	149 Å²	149	102.7 Å²	102.7	80%	0.797	56%	0.557	S	S	*	*	H	α-helix	trans	-68.9	-25.9	171.6	-65.1	-8.6	0	0	0	110.7	T108	T108-D110 PolarHBondContact O-N 2.78Å
111	D	53.3	Low	59.5	Low	98 Å²	98	105.9 Å²	105.9	52%	0.524	59%	0.587	S	S	.	*	H	α-helix	trans	-97.1	-53.1	177.5	-47.8	-61.4	0	0	0	111.7	T108 L113	T108-D111 WeakPolarHBondContact CB-OD2 3.21Å; T108-D111 PolarHBondContact O-N 3.29Å; T108-D111 VanDerWaalsContact O-N 3.13Å; D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 PolarHBondContact O-N 2.77Å
112	Y	53.6	Low	56.6	Low	192 Å²	192	110.4 Å²	110.4	75%	0.753	62%	0.62	S	S	*	*	H	α-helix	trans	-75.7	-4.8	-167.7	-86	-84.4	0	0	0	116.2	T108	T108-Y112 PolarHBondContact O-N 2.73Å
113	L	51.9	Low	54.1	Low	120 Å²	120	117.3 Å²	117.3	63%	0.628	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	15	-178.9	-71.2	174.9	0	0	0	114.8	T85 D111	T85-L113 HydrophobicContact CG2-CD1 4Å; D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 PolarHBondContact O-N 2.77Å
114	Y	47	Very low	51.7	Low	206 Å²	206	120.5 Å²	120.5	81%	0.808	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	-25	176.8	-115.9	-92.6	0	0	0	116.3
115	E	43.6	Very low	49.7	Very low	122 Å²	122	121.5 Å²	121.5	57%	0.57	65%	0.646	S	S	*	*	S	Bend	trans	-78.9	-20.3	-172.8	-83.4	-105.8	98.1	0	0	115.5	S117 K119	E115-S117 PolarHBondContact O-N 2.92Å; E115-K119 IonicContact OE1-NZ 2.64Å; E115-K119 PolarHBondContact OE1-NZ 3.24Å; E115-K119 IonicContact OE2-NZ 2.93Å; E115-K119 PolarHBondContact OE2-NZ 3.37Å
116	A	43.1	Very low	48	Very low	105 Å²	105	122.4 Å²	122.4	87%	0.868	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	20.8	-168.7	0	0	0	0	0	116.1
117	S	43.3	Very low	47	Very low	77 Å²	77	120.2 Å²	120.2	54%	0.538	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-147.3	20.2	-175.4	-139.1	0	0	0	0	116.3	E115	E115-S117 PolarHBondContact O-N 2.92Å
118	S	41.8	Very low	46.1	Very low	92 Å²	92	125.9 Å²	125.9	64%	0.643	67%	0.668	S	S	*	*			trans	-159.4	88.9	171.6	50.4	0	0	0	0	115.5
119	K	46.2	Very low	45.3	Very low	165 Å²	165	127.8 Å²	127.8	72%	0.717	68%	0.679	S	S	*	*			trans	-166.5	85.6	164.9	-98.2	134.3	177.9	177.6	0	112	E115	E115-K119 IonicContact OE1-NZ 2.64Å; E115-K119 PolarHBondContact OE1-NZ 3.24Å; E115-K119 IonicContact OE2-NZ 2.93Å; E115-K119 PolarHBondContact OE2-NZ 3.37Å
120	A	43.7	Very low	44.5	Very low	99 Å²	99	133.9 Å²	133.9	82%	0.818	71%	0.707	S	S	*	*	S	Bend	trans	-161.2	116.1	165.9	0	0	0	0	0	112.6
121	S	44.2	Very low	43.9	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	71%	0.707	S	S	*	*			trans	53.9	136.3	166.7	-157	0	0	0	0	120
122	S	36	Very low	43.3	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	72%	0.722	S	S	*	*			trans	-152.5	119	178	63.4	0	0	0	0	115
123	H	41.2	Very low	42.5	Very low	153 Å²	153	131.9 Å²	131.9	71%	0.708	73%	0.727	S	S	*	*			trans	-155.4	158.7	172.2	-84.7	-86.6	0	0	0	109
124	Y	42	Very low	41.8	Very low	184 Å²	184	131.7 Å²	131.7	72%	0.722	74%	0.736	S	S	*	*			cis	-151.5	131.6	-6.1	-132.9	-27.5	0	0	0	111.2
125	N	44.5	Very low	41.5	Very low	129 Å²	129	130 Å²	130	69%	0.69	74%	0.74	S	S	*	*			trans	57	167.3	157.5	-70.4	-11.3	0	0	0	120.9	F544	N125-F544 WeakPolarHBondContact O-CE1 3.24Å; N125-F544 WeakPolarHBondContact O-CZ 3.39Å
126	K	39.5	Very low	41.4	Very low	90 Å²	90	130.6 Å²	130.6	39%	0.391	75%	0.754	S	S	.	*			trans	-157.5	139.1	-165.8	176.8	-162.4	162.8	147.8	0	111.8	F544 A545 T546	K126-F544 HydrophobicContact CB-CD1 3.77Å; K126-F544 HydrophobicContact CB-CD2 4.4Å; K126-F544 HydrophobicContact CB-CE1 4.03Å; K126-F544 HydrophobicContact CB-CG 4.03Å; K126-F544 HydrophobicContact CB-CZ 4.46Å; K126-F544 VanDerWaalsContact CD-O 3.25Å; K126-F544 WeakPolarHBondContact CD-O 3.42Å; K126-F544 WeakPolarHBondContact CE-O 3.22Å; K126-F544 HydrophobicContact CG-CB 3.75Å; K126-F544 HydrophobicContact CG-CD1 3.56Å; K126-F544 HydrophobicContact CG-CD2 4.05Å; K126-F544 HydrophobicContact CG-CE1 4.32Å; K126-F544 HydrophobicContact CG-CG 3.45Å; K126-F544 VanDerWaalsContact CG-CG 3.45Å; K126-F544 WeakPolarHBondContact CG-O 3.5Å; K126-F544 PolarHBondContact NZ-O 3.21Å; K126-A545 HydrophobicContact CB-CB 4.33Å; K126-A545 HydrophobicContact CD-CB 4.28Å; K126-A545 HydrophobicContact CG-CB 4.27Å; K126-A545 PolarHBondContact NZ-O 2.9Å; K126-T546 HydrophobicContact CB-CG2 4.1Å; K126-T546 HydrophobicContact CD-CG2 3.35Å; K126-T546 VanDerWaalsContact CD-OG1 3.27Å; K126-T546 WeakPolarHBondContact CD-OG1 3.47Å; K126-T546 HydrophobicContact CG-CG2 4.33Å; K126-T546 PolarHBondContact NZ-OG1 3.22Å
127	E	44.4	Very low	41.3	Very low	141 Å²	141	132.5 Å²	132.5	66%	0.659	75%	0.749	S	S	*	*			trans	-152	-176.9	168.1	-134.4	171.7	-152.7	0	0	114.8	F544 K1119	E127-F544 WeakPolarHBondContact O-CB 3.5Å; E127-F544 WeakPolarHBondContact O-CD2 3.27Å; E127-K1119 PolarHBondContact O-NZ 3.27Å
128	E	43	Very low	41.4	Very low	166 Å²	166	135.5 Å²	135.5	78%	0.776	76%	0.764	S	S	*	*			trans	-98.8	-149.8	-135.8	-143.7	167.4	-176.8	0	0	119	K1119	E128-K1119 PolarHBondContact O-NZ 2.84Å
129	V	38.2	Very low	41.2	Very low	120 Å²	120	138.7 Å²	138.7	73%	0.727	77%	0.768	S	S	*	*			trans	-137.1	146.5	-152.4	174.8	0	0	0	0	113.2
130	L	41.8	Very low	41	Very low	174 Å²	174	136.7 Å²	136.7	91%	0.911	77%	0.772	S	S	*	*			trans	-143	153.3	163.9	-84.9	175.9	0	0	0	112.4
131	T	39.5	Very low	41	Very low	127 Å²	127	136.8 Å²	136.8	78%	0.779	77%	0.767	S	S	*	*			trans	-149.1	140.6	175.6	54.2	0	0	0	0	111.6
132	P	41	Very low	40.9	Very low	131 Å²	131	140.3 Å²	140.3	85%	0.851	77%	0.766	S	S	*	*			trans	-125.7	164.4	156.6	36.4	-24.4	0	0	0	113.9
133	T	37	Very low	41.1	Very low	138 Å²	138	145.7 Å²	145.7	85%	0.847	77%	0.77	S	S	*	*			trans	-126	135.9	-175.1	48.9	0	0	0	0	112.5
134	S	37.6	Very low	41.4	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	78%	0.779	S	S	*	*			trans	-165	128.6	159.1	54.1	0	0	0	0	112.7
135	L	39.5	Very low	41.6	Very low	171 Å²	171	142.4 Å²	142.4	90%	0.895	78%	0.78	S	S	*	*			trans	-147.7	137.2	159.1	-80.5	-177.9	0	0	0	109.2
136	P	41.6	Very low	41.5	Very low	134 Å²	134	142.1 Å²	142.1	87%	0.87	79%	0.786	S	S	*	*			trans	-85.6	178.3	-176.2	34.3	-36.1	0	0	0	114.5
137	L	40.4	Very low	41.7	Very low	144 Å²	144	149.9 Å²	149.9	75%	0.754	81%	0.812	S	S	*	*			trans	-122.4	136.7	-164.2	176.8	76	0	0	0	112
138	V	46.2	Very low	41.5	Very low	141 Å²	141	151.1 Å²	151.1	86%	0.855	82%	0.816	S	S	*	*			trans	-143.2	143.4	169.3	-173.8	0	0	0	0	111.4
139	H	38.5	Very low	41.6	Very low	158 Å²	158	151.6 Å²	151.6	73%	0.731	82%	0.822	S	S	*	*			trans	-100.1	155.1	-177.5	-79.6	-104.9	0	0	0	114.3
140	P	41.9	Very low	41.7	Very low	124 Å²	124	153.2 Å²	153.2	81%	0.805	83%	0.825	S	S	*	*			trans	-106.7	153.7	161	37.4	-29.9	0	0	0	113.2
141	S	42	Very low	42	Very low	100 Å²	100	152.3 Å²	152.3	70%	0.699	82%	0.821	S	S	*	*			trans	-142.1	142.2	-176	-173.8	0	0	0	0	113
142	K	42.8	Very low	42	Very low	197 Å²	197	152.8 Å²	152.8	86%	0.857	82%	0.819	S	S	*	*			trans	33.8	163.5	153.5	-60	170.2	-172.6	177	0	121.7
143	R	41	Very low	42	Very low	220 Å²	220	153.6 Å²	153.6	83%	0.83	81%	0.811	S	S	*	*			cis	169.8	117.8	-47	169.7	-171.8	178.2	-166	-0.4	108.4
144	T	47	Very low	42.1	Very low	145 Å²	145	155.4 Å²	155.4	89%	0.89	81%	0.807	S	S	*	*			trans	-158.2	170.6	167.5	9.9	0	0	0	0	112.6
145	T	46.9	Very low	42.2	Very low	123 Å²	123	155.7 Å²	155.7	76%	0.755	80%	0.804	S	S	*	*			trans	-135.1	163.2	-153.7	42	0	0	0	0	116.4
146	P	42.1	Very low	42.2	Very low	123 Å²	123	159.6 Å²	159.6	80%	0.799	81%	0.807	S	S	*	*			trans	-106.1	179.7	-172.1	41.7	-36.5	0	0	0	116
147	R	43.9	Very low	42.1	Very low	253 Å²	253	158.3 Å²	158.3	96%	0.955	80%	0.801	S	S	*	*			trans	-130.4	168.3	169.8	-97.3	-175.4	169.2	-173.1	-3.2	112.8
148	K	39.2	Very low	42.4	Very low	167 Å²	167	156.7 Å²	156.7	73%	0.726	80%	0.799	S	S	*	*			trans	-132.8	154.8	-177.8	-60.2	174.6	-178.6	172.4	0	111.1
149	I	45.6	Very low	42.1	Very low	177 Å²	177	161.9 Å²	161.9	91%	0.908	80%	0.803	S	S	*	*			trans	-136	161.3	161.3	-64.5	-174.2	0	0	0	109.3
150	L	40.9	Very low	42.3	Very low	153 Å²	153	162.9 Å²	162.9	80%	0.801	81%	0.808	S	S	*	*			trans	-130.2	155.9	-167.6	-153.9	101.4	0	0	0	110.5
151	L	47.6	Very low	42.5	Very low	155 Å²	155	168.7 Å²	168.7	81%	0.812	81%	0.814	S	S	*	*			trans	-178.5	178.5	142.6	-101	161	0	0	0	112.9
152	N	38.5	Very low	42.5	Very low	138 Å²	138	167.8 Å²	167.8	74%	0.738	81%	0.808	S	S	*	*			trans	-153.2	-162	-155.5	-156.7	-19.9	0	0	0	112.7
153	H	41.4	Very low	42.9	Very low	147 Å²	147	161.4 Å²	161.4	68%	0.681	78%	0.782	S	S	*	*			trans	83.9	159	165.7	-39.2	-68.1	0	0	0	117.8
154	K	39.9	Very low	43.2	Very low	177 Å²	177	153.7 Å²	153.7	77%	0.77	76%	0.759	S	S	*	*			cis	-164.5	138.6	-49.4	-148.9	-177.4	-178.4	-179.3	0	111.4
155	T	38.9	Very low	43.1	Very low	122 Å²	122	149.7 Å²	149.7	75%	0.748	74%	0.736	S	S	*	*			trans	45.6	121.1	152.5	45.1	0	0	0	0	123.8
156	R	40.4	Very low	43.1	Very low	253 Å²	253	150.9 Å²	150.9	96%	0.955	73%	0.73	S	S	*	*				-163.2	165.9	122.7	-126.8	177.3	177.3	175.7	-0.3	114.4
157	S	38.6	Very low	43.2	Very low	108 Å²	108	155.1 Å²	155.1	76%	0.755	73%	0.731	S	S	*	*			trans	-165.3	-174.1	177.1	-145.7	0	0	0	0	107
158	P	46.6	Very low	43	Very low	110 Å²	110	149.3 Å²	149.3	71%	0.714	72%	0.723	S	S	*	*			cis	-136.3	-177.1	-11.4	43.7	-27.9	0	0	0	114.6
159	R	39.9	Very low	43.4	Very low	249 Å²	249	149.8 Å²	149.8	94%	0.94	73%	0.733	S	S	*	*			trans	-170.3	-175.9	130	-112.9	177.3	172.4	175.7	-1.6	115
160	Q	43.5	Very low	43.1	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	73%	0.725	S	S	*	*			trans	-130	157.1	-157	-55.6	174.3	-8.9	0	0	114.7
161	R	44.9	Very low	43.6	Very low	247 Å²	247	144.6 Å²	144.6	93%	0.932	73%	0.73	S	S	*	*			trans	173.3	125.6	138.6	-92.8	157.1	-172.2	-162.3	2.9	107.4
162	S	43.3	Very low	43.6	Very low	80 Å²	80	142.4 Å²	142.4	56%	0.559	73%	0.728	S	S	*	*				78.6	129.4	78.7	173.3	0	0	0	0	115
163	M	49.8	Very low	44.3	Very low	64 Å²	64	144.7 Å²	144.7	32%	0.315	73%	0.734	S	S	.	*			cis	-163.4	177.5	-20.3	-74.6	-53.2	171.3	0	0	107.1	R2096 S2097 W2098	M163-R2096 HydrophobicContact CB-CG 4.04Å; M163-R2096 HydrophobicContact CE-CB 4.39Å; M163-R2096 HydrophobicContact CG-CB 4.29Å; M163-R2096 HydrophobicContact CG-CG 3.62Å; M163-R2096 HydrophobicContact SD-CB 3.94Å; M163-R2096 HydrophobicContact SD-CG 3.95Å; M163-S2097 WeakPolarHBondContact CE-OG 3.37Å; M163-S2097 PolarHBondContact SD-OG 3.49Å; M163-W2098 VanDerWaalsContact C-CH2 3.47Å; M163-W2098 WeakPolarHBondContact O-CH2 3.3Å; M163-W2098 WeakPolarHBondContact O-CZ3 3.2Å
164	T	49.3	Very low	45	Very low	57 Å²	57	149.2 Å²	149.2	35%	0.35	75%	0.745	S	S	.	*			cis	-163.3	152.2	25.7	-47.8	0	0	0	0	110.9	V2094 R2096 W2098	T164-V2094 HydrophobicContact CG2-CG1 4.26Å; T164-R2096 HydrophobicContact CG2-CG 4Å; T164-W2098 VanDerWaalsContact N-CE2 3.33Å; T164-W2098 VanDerWaalsContact N-CZ2 3.32Å; T164-W2098 PolarHBondContact O-NE1 3.2Å
165	P	43.2	Very low	46	Very low	62 Å²	62	151.7 Å²	151.7	40%	0.403	75%	0.751	S	S	.	*			trans	-100.1	160.6	-177	36.4	-34.9	0	0	0	117.5
166	K	46.7	Very low	47.5	Very low	148 Å²	148	148.7 Å²	148.7	64%	0.643	75%	0.745	S	S	*	*			trans	-157.3	101.6	172.2	-132	165.1	-176.3	163.7	0	117.4	V2094	K166-V2094 HydrophobicContact CD-CG2 4.16Å
167	R	46	Very low	49	Very low	212 Å²	212	143 Å²	143	80%	0.8	74%	0.74	S	S	*	*			trans	21.1	111.6	152	-73.7	179.9	167.3	136.8	-0.9	121.7
168	T	38.8	Very low	50.9	Low	130 Å²	130	143.9 Å²	143.9	80%	0.798	74%	0.741	S	S	*	*				16.7	130	120.6	56.4	0	0	0	0	120.2
169	L	47.9	Very low	52.4	Low	177 Å²	177	143.6 Å²	143.6	93%	0.927	74%	0.74	S	S	*	*			trans	-123.1	143.1	155	-78.1	170.6	0	0	0	110.1
170	G	39.1	Very low	54.2	Low	72 Å²	72	137.7 Å²	137.7	74%	0.742	73%	0.733	S	S	*	*			trans	-87.3	147.4	-170.3	0	0	0	0	0	114.9
171	T	51.8	Low	55.9	Low	150 Å²	150	140.9 Å²	140.9	92%	0.92	74%	0.738	S	S	*	*			trans	-103.3	48.7	-178	52.6	0	0	0	0	112.7
172	S	46.3	Very low	57.3	Low	109 Å²	109	137.8 Å²	137.8	76%	0.762	73%	0.734	S	S	*	*			trans	-115.3	33.7	-166.2	60.3	0	0	0	0	115.9
173	E	54.3	Low	58.9	Low	186 Å²	186	139.7 Å²	139.7	87%	0.869	74%	0.744	S	S	*	*	S	Bend	trans	-151.3	-2	-177.2	-124.2	155.7	-131.5	0	0	117.6
174	R	56.9	Low	59.9	Low	241 Å²	241	141.3 Å²	141.3	91%	0.909	77%	0.768	S	S	*	*			trans	-97.9	10.8	-168.6	-77.4	-164.9	177.3	-143.5	-0.1	117.9
175	Y	60.9	Low	61.1	Low	229 Å²	229	144.2 Å²	144.2	90%	0.898	79%	0.786	S	S	*	*			trans	-121.2	99.7	175.1	-74	-76.1	0	0	0	112
176	G	69.7	Low	62.6	Low	60 Å²	60	145.7 Å²	145.7	62%	0.619	80%	0.795	S	S	*	*			trans	-66.4	161	165.4	0	0	0	0	0	112	V178	G176-V178 PolarHBondContact O-N 2.78Å; G176-V178 VanDerWaalsContact O-N 3.17Å
177	P	70.7	Confident	64.2	Low	132 Å²	132	139.4 Å²	139.4	86%	0.857	77%	0.769	S	S	*	*			trans	-65.9	115.8	-176.4	26.7	-34.1	0	0	0	111.6
178	V	79	Confident	66.2	Low	128 Å²	128	133.4 Å²	133.4	78%	0.776	75%	0.753	S	S	*	*			trans	-60.5	129.2	175.5	-179.6	0	0	0	0	109.8	G176	G176-V178 PolarHBondContact O-N 2.78Å; G176-V178 VanDerWaalsContact O-N 3.17Å
179	P	78.6	Confident	68.7	Low	104 Å²	104	128.6 Å²	128.6	68%	0.675	72%	0.722	S	S	*	*			trans	-56.8	136.5	177.4	-27	35.3	0	0	0	112.1	R181	P179-R181 PolarHBondContact O-N 2.83Å; P179-R181 VanDerWaalsContact O-N 3.14Å
180	P	78.4	Confident	70.9	Confident	125 Å²	125	124 Å²	124	81%	0.812	70%	0.695	S	S	*	*			trans	-66.7	115.6	179.6	26.9	-33.4	0	0	0	110.2	Q182	P180-Q182 PolarHBondContact O-N 2.87Å
181	R	78.1	Confident	73.4	Confident	245 Å²	245	122.4 Å²	122.4	93%	0.925	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-55.5	135.5	171.4	-72.9	-173.5	174.8	-167.6	-2.2	109.9	P179	P179-R181 PolarHBondContact O-N 2.83Å; P179-R181 VanDerWaalsContact O-N 3.14Å
182	Q	75	Confident	75.2	Confident	183 Å²	183	119.3 Å²	119.3	86%	0.855	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-62.2	139.5	172	-66.7	-178.9	-7.6	0	0	109.8	P180	P180-Q182 PolarHBondContact O-N 2.87Å
183	P	77.1	Confident	76.7	Confident	119 Å²	119	122 Å²	122	77%	0.773	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-69.6	139.1	174	30.1	-33.7	0	0	0	109.8	T185	P183-T185 PolarHBondContact O-N 2.89Å
184	A	70.8	Confident	77.5	Confident	98 Å²	98	117.9 Å²	117.9	81%	0.81	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-62.4	128.6	173.8	0	0	0	0	0	110.4
185	T	73.5	Confident	78	Confident	119 Å²	119	112.8 Å²	112.8	73%	0.73	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-60.6	130.8	177.7	-46.8	0	0	0	0	109.9	P183	P183-T185 PolarHBondContact O-N 2.89Å
186	P	75.4	Confident	77.8	Confident	92 Å²	92	105.2 Å²	105.2	60%	0.597	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-65.4	141.8	172.8	28	-33.8	0	0	0	109.9	I188	P186-I188 PolarHBondContact O-N 3.1Å
187	P	79.4	Confident	76.8	Confident	16 Å²	16	110.3 Å²	110.3	10%	0.104	60%	0.601	C	S	.	*	P	Polyproline II helix	trans	-59.5	134.3	177.9	-17.6	27.3	0	0	0	110.2	R12 Q40 H41 R95	R12-P187 VanDerWaalsContact NH2-CG 3.26Å; Q40-P187 WeakPolarHBondContact O-CB 3.1Å; H41-P187 HydrophobicContact CB-CB 4.29Å; R95-P187 PolarHBondContact NH2-O 3.02Å
188	I	88.4	Confident	75.4	Confident	87 Å²	87	109.1 Å²	109.1	45%	0.446	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.4	129.1	-177.8	-56.8	178.2	0	0	0	108.4	Q40 P186 Q190	Q40-I188 HydrophobicContact CB-CB 4.19Å; Q40-I188 WeakPolarHBondContact CB-O 2.92Å; Q40-I188 HydrophobicContact CG-CB 4.31Å; Q40-I188 PolarHBondContact N-O 2.8Å; P186-I188 PolarHBondContact O-N 3.1Å; I188-Q190 HydrophobicContact CG2-CG 3.83Å
189	I	92.5	Very high	73.6	Confident	29 Å²	29	108.3 Å²	108.3	15%	0.149	60%	0.596	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.4	126.5	170.5	-59.6	172.8	0	0	0	106.4	V9 I37 R38 V39 R95 F97	V9-I189 HydrophobicContact CG1-CD1 3.44Å; V9-I189 VanDerWaalsContact CG1-CD1 3.44Å; V9-I189 HydrophobicContact CG1-CG2 4.47Å; V9-I189 HydrophobicContact CG2-CG2 4.36Å; I37-I189 HydrophobicContact CG2-CG2 4.44Å; R38-I189 CarbonylContact O-C 3.38Å; R38-I189 WeakPolarHBondContact O-CA 3.37Å; V39-I189 HydrophobicContact CG1-CG1 4.5Å; R95-I189 HydrophobicContact CB-CD1 4.44Å; R95-I189 HydrophobicContact CG-CD1 3.96Å; F97-I189 HydrophobicContact CE1-CG2 4.49Å; F97-I189 HydrophobicContact CZ-CD1 4.44Å
190	Q	93.4	Very high	71.8	Confident	79 Å²	79	111.4 Å²	111.4	37%	0.369	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.9	132.5	175.2	-47.7	178	-81.1	0	0	107.6	R38 I188	R38-Q190 HydrophobicContact CB-CB 4.18Å; R38-Q190 PolarHBondContact N-O 3.24Å; R38-Q190 PolarHBondContact O-N 2.84Å; I188-Q190 HydrophobicContact CG2-CG 3.83Å
191	V	92.3	Very high	69.9	Low	40 Å²	40	110.4 Å²	110.4	24%	0.242	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	115.7	174.4	173.6	0	0	0	0	106.4	C20	C20-V191 HydrophobicContact CB-CG1 3.76Å; C20-V191 HydrophobicContact CB-CG2 4.45Å; C20-V191 WeakPolarHBondContact SG-CG1 3.48Å
192	L	87.7	Confident	68.3	Low	85 Å²	85	104.7 Å²	104.7	45%	0.445	59%	0.585	S	S	.	*			trans	-72.3	131.6	165.1	-170.2	66.4	0	0	0	107.2	D36	D36-L192 PolarHBondContact O-N 2.74Å
193	R	79.8	Confident	66.6	Low	165 Å²	165	105.5 Å²	105.5	62%	0.623	59%	0.586	S	S	*	*			trans	-100.8	113.7	172.5	-72.6	-178	171	-158.5	-10.3	107.9	E195	R193-E195 VanDerWaalsContact C-N 3.29Å; R193-E195 PolarHBondContact O-N 2.73Å; R193-E195 VanDerWaalsContact O-N 3.1Å
194	H	70.2	Confident	64.8	Low	99 Å²	99	107 Å²	107	46%	0.458	59%	0.586	S	S	.	*			trans	-70.8	95.3	156.2	-63.7	-52.8	0	0	0	106.8	D36	D36-H194 IonicContact OD1-CD2 2.77Å; D36-H194 IonicContact OD1-CE1 3.54Å; D36-H194 IonicContact OD1-NE2 3.36Å; D36-H194 PolarHBondContact OD1-NE2 3.25Å
195	E	66.2	Low	63.1	Low	134 Å²	134	107 Å²	107	63%	0.626	58%	0.579	S	S	*	*			trans	-58.4	124.5	158.3	-60.7	-61	149.4	0	0	105.9	R193 N197	R193-E195 VanDerWaalsContact C-N 3.29Å; R193-E195 PolarHBondContact O-N 2.73Å; R193-E195 VanDerWaalsContact O-N 3.1Å; E195-N197 PolarHBondContact O-N 3.46Å
196	P	57.7	Low	61.4	Low	70 Å²	70	107.9 Å²	107.9	46%	0.455	58%	0.583	S	S	.	*			trans	-60.6	129.8	179.1	26.2	-33.3	0	0	0	107.8	S198	P196-S198 VanDerWaalsContact C-N 3.31Å; P196-S198 PolarHBondContact O-N 2.98Å
197	N	49.3	Very low	59.7	Low	167 Å²	167	112.2 Å²	112.2	89%	0.893	59%	0.593	S	S	*	*			trans	-57.6	91.6	-172.9	-80.6	-15.3	0	0	0	111.4	E195 S199	E195-N197 PolarHBondContact O-N 3.46Å; N197-S199 PolarHBondContact O-N 2.95Å
198	S	41.3	Very low	57.7	Low	107 Å²	107	115.9 Å²	115.9	75%	0.748	61%	0.609	S	S	*	*			trans	-66.3	102.4	168	173.8	0	0	0	0	106.5	P196 Q200	P196-S198 VanDerWaalsContact C-N 3.31Å; P196-S198 PolarHBondContact O-N 2.98Å; S198-Q200 PolarHBondContact O-N 3.34Å
199	S	40.2	Very low	55.5	Low	112 Å²	112	115 Å²	115	78%	0.783	62%	0.615	S	S	*	*			trans	-46.6	105.9	-174.3	31.5	0	0	0	0	111.5	N197 S201	N197-S199 PolarHBondContact O-N 2.95Å; S199-S201 PolarHBondContact O-N 2.81Å
200	Q	41.9	Very low	52.9	Low	168 Å²	168	121.1 Å²	121.1	79%	0.785	64%	0.643	S	S	*	*			trans	-69.3	105.5	166.3	-73.3	-170.6	-13.5	0	0	106.6	S198 N202	S198-Q200 PolarHBondContact O-N 3.34Å; Q200-N202 PolarHBondContact O-N 2.78Å
201	S	38.4	Very low	50.5	Low	105 Å²	105	123 Å²	123	73%	0.734	66%	0.655	S	S	*	*			trans	-68.5	83.1	179.2	60.2	0	0	0	0	109.9	S199 K203	S199-S201 PolarHBondContact O-N 2.81Å; S201-K203 VanDerWaalsContact C-N 3.29Å; S201-K203 PolarHBondContact O-N 3.1Å
202	N	43.6	Very low	48.3	Very low	125 Å²	125	126.4 Å²	126.4	67%	0.668	68%	0.676	S	S	*	*			trans	-68.1	87.6	175.8	-76.8	-16.5	0	0	0	109.5	Q200 L204	Q200-N202 PolarHBondContact O-N 2.78Å; N202-L204 VanDerWaalsContact C-N 3.28Å; N202-L204 PolarHBondContact O-N 2.95Å
203	K	40.4	Very low	46.2	Very low	200 Å²	200	130.3 Å²	130.3	87%	0.87	69%	0.692	S	S	*	*			trans	-65.6	88.8	166.5	-70.9	-171.5	174.7	-171.3	0	109	S201	S201-K203 VanDerWaalsContact C-N 3.29Å; S201-K203 PolarHBondContact O-N 3.1Å
204	L	37.5	Very low	44.3	Very low	149 Å²	149	126.9 Å²	126.9	78%	0.78	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-79.2	147.5	171.5	-73.6	170.1	0	0	0	110.7	N202	N202-L204 VanDerWaalsContact C-N 3.28Å; N202-L204 PolarHBondContact O-N 2.95Å
205	P	35.1	Very low	42.9	Very low	100 Å²	100	127.9 Å²	127.9	65%	0.649	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-84.4	139.3	-171.7	33	-34.5	0	0	0	112.3	F207	P205-F207 HydrophobicContact CB-CD2 4.47Å; P205-F207 PolarHBondContact O-N 2.68Å
206	V	38.4	Very low	41.8	Very low	136 Å²	136	130 Å²	130	82%	0.824	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-80	116.7	169	178.4	0	0	0	0	109.4
207	F	39.1	Very low	41	Very low	184 Å²	184	135.9 Å²	135.9	81%	0.807	73%	0.727	S	S	*	*			trans	-117.7	130.6	158.9	-84.5	-88.9	0	0	0	108.3	P205	P205-F207 HydrophobicContact CB-CD2 4.47Å; P205-F207 PolarHBondContact O-N 2.68Å
208	Q	38.5	Very low	40.2	Very low	92 Å²	92	132.8 Å²	132.8	43%	0.43	72%	0.719	S	S	.	*			trans	-107.4	165.4	159.3	-76.8	-176.5	-25.9	0	0	108.9	P1326 S1327	Q208-P1326 HydrophobicContact CB-CB 4.34Å; Q208-P1326 HydrophobicContact CB-CG 4.33Å; Q208-P1326 WeakPolarHBondContact O-CB 3.01Å; Q208-P1326 WeakPolarHBondContact O-CG 3.11Å; Q208-S1327 WeakPolarHBondContact CB-O 2.94Å
209	A	41.1	Very low	40.1	Very low	69 Å²	69	134.2 Å²	134.2	57%	0.57	72%	0.723	S	S	*	*			trans	-145.5	156.7	156.2	0	0	0	0	0	104.6	S1327	A209-S1327 CarbonylContact C-O 3.46Å
210	E	39.4	Very low	40	Very low	157 Å²	157	134.2 Å²	134.2	73%	0.734	72%	0.723	S	S	*	*			cis	-155.1	149.4	4.2	-149.6	156.4	-142.1	0	0	107.1	S1327	E210-S1327 PolarHBondContact N-O 2.78Å
211	N	43.3	Very low	39.9	Very low	118 Å²	118	129.7 Å²	129.7	63%	0.631	72%	0.721	S	S	*	*			trans	-162	154.9	155.8	-125.3	-21.8	0	0	0	114.8
212	V	44.9	Very low	39.9	Very low	112 Å²	112	127.9 Å²	127.9	68%	0.679	72%	0.72	S	S	*	*			trans	-127.3	146.8	-171	-175.3	0	0	0	0	105
213	E	43.8	Very low	39.8	Very low	168 Å²	168	132.2 Å²	132.2	79%	0.785	73%	0.733	S	S	*	*			cis	-153.3	162.9	20.3	-147.9	164	156.1	0	0	114.5
214	S	39.6	Very low	39.5	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	72%	0.72	S	S	*	*			trans	80.4	146.5	143.9	92.7	0	0	0	0	122.9
215	N	41.7	Very low	39.6	Very low	119 Å²	119	129.2 Å²	129.2	64%	0.636	73%	0.725	S	S	*	*			trans	65.1	100.4	148.2	-72.4	-50.7	0	0	0	124.6
216	K	42.3	Very low	39.5	Very low	180 Å²	180	129 Å²	129	78%	0.783	73%	0.726	S	S	*	*				82.5	114.5	120.6	-71.1	169.2	-177.4	169.2	0	121.5
217	K	41.4	Very low	39.3	Very low	192 Å²	192	132 Å²	132	84%	0.835	72%	0.724	S	S	*	*			trans	61.2	95.8	135.6	-73.4	-170.1	172.9	-175	0	120.1
218	S	32.1	Very low	39	Very low	102 Å²	102	129.8 Å²	129.8	71%	0.713	73%	0.726	S	S	*	*				40.8	125.7	114.8	63	0	0	0	0	121
219	V	40.3	Very low	38.8	Very low	137 Å²	137	131.2 Å²	131.2	83%	0.83	74%	0.736	S	S	*	*				-169.2	179.8	118.9	138.3	0	0	0	0	109.6
220	S	37.7	Very low	38.5	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	75%	0.747	S	S	*	*			trans	-44	160.9	175.9	52.9	0	0	0	0	115.5
221	G	39.6	Very low	38.3	Very low	73 Å²	73	133 Å²	133	75%	0.753	75%	0.746	S	S	*	*			cis	134.4	173.8	13.1	0	0	0	0	0	110.6
222	G	39.1	Very low	38	Very low	68 Å²	68	130.6 Å²	130.6	70%	0.701	74%	0.735	S	S	*	*			trans	91.2	137.5	-166.8	0	0	0	0	0	111.1
223	K	39.8	Very low	37.7	Very low	216 Å²	216	128.7 Å²	128.7	94%	0.939	73%	0.727	S	S	*	*			cis	62.7	117.9	48.4	-59.9	-179.4	179.8	178.5	0	111.5
224	G	34.8	Very low	37.4	Very low	59 Å²	59	128.1 Å²	128.1	61%	0.608	72%	0.722	S	S	*	*			cis	154.9	176.5	-3.4	0	0	0	0	0	111.5
225	Y	39.5	Very low	37.3	Very low	227 Å²	227	127.5 Å²	127.5	89%	0.89	72%	0.717	S	S	*	*			trans	66.5	160.6	176.2	-55.5	-80.8	0	0	0	116.2
226	S	32.7	Very low	37.2	Very low	95 Å²	95	129 Å²	129	66%	0.664	73%	0.725	S	S	*	*				-174.3	135.6	-56.5	47.5	0	0	0	0	109.4
227	Y	35	Very low	37.1	Very low	199 Å²	199	129.1 Å²	129.1	78%	0.78	73%	0.729	S	S	*	*			trans	22.3	121.1	139.1	-125	-101.4	0	0	0	119.7
228	T	33.4	Very low	36.9	Very low	137 Å²	137	124.9 Å²	124.9	84%	0.84	71%	0.714	S	S	*	*				-175.1	154.7	112.1	22.5	0	0	0	0	112.1
229	D	32.5	Very low	37.1	Very low	122 Å²	122	126.5 Å²	126.5	65%	0.652	71%	0.709	S	S	*	*			trans	-96.8	-166.5	-171.6	-57.2	-88.7	0	0	0	114.6
230	V	35.3	Very low	37	Very low	133 Å²	133	124.4 Å²	124.4	81%	0.806	70%	0.7	S	S	*	*			trans	66.1	152.7	167.9	-88.6	0	0	0	0	118
231	N	34.8	Very low	36.9	Very low	131 Å²	131	122.2 Å²	122.2	70%	0.701	69%	0.685	S	S	*	*			cis	-142.4	-164.5	11.9	-146.1	-16.2	0	0	0	114.9
232	V	38.3	Very low	37	Very low	67 Å²	67	124.5 Å²	124.5	41%	0.406	68%	0.684	S	S	.	*			trans	-125.3	154.9	-158.2	-179.2	0	0	0	0	114.8	Q2018	V232-Q2018 HydrophobicContact CG1-CG 3.87Å
233	S	37.9	Very low	37	Very low	72 Å²	72	125.7 Å²	125.7	50%	0.503	68%	0.677	S	S	.	*			trans	122	134.8	156.2	-57	0	0	0	0	115.4	P2019 S2020	S233-P2019 CarbonylContact C-O 3.49Å; S233-P2019 VanDerWaalsContact C-O 3.25Å; S233-P2019 WeakPolarHBondContact CA-O 3.19Å; S233-P2019 PolarHBondContact N-O 2.63Å; S233-P2019 VanDerWaalsContact N-O 3.16Å; S233-S2020 CarbonylContact C-O 3.01Å; S233-S2020 WeakPolarHBondContact CA-O 3.17Å; S233-S2020 PolarHBondContact N-O 2.8Å
234	K	38.5	Very low	37.6	Very low	157 Å²	157	119.4 Å²	119.4	68%	0.683	66%	0.659	S	S	*	*			cis	-165.6	163	0.2	-114.5	173	-176.1	176.1	0	113.7	P2019 S2020	K234-P2019 VanDerWaalsContact CA-O 3.23Å; K234-P2019 WeakPolarHBondContact CA-O 3.44Å; K234-P2019 PolarHBondContact N-O 3.47Å; K234-S2020 PolarHBondContact N-O 3.16Å
235	S	37.1	Very low	37.8	Very low	79 Å²	79	122.9 Å²	122.9	55%	0.552	66%	0.663	S	S	*	*			trans	79.2	121.2	145.2	65.8	0	0	0	0	126.5
236	N	38.8	Very low	37.7	Very low	151 Å²	151	117.2 Å²	117.2	81%	0.807	65%	0.648	S	S	*	*				84.1	140.6	124.7	-64.9	-4.5	0	0	0	126.9
237	Q	39.9	Very low	38.6	Very low	183 Å²	183	117.9 Å²	117.9	86%	0.855	65%	0.65	S	S	*	*			trans	80.3	151.5	164	-52.1	-157.9	85.3	0	0	119.6
238	L	37.6	Very low	38.9	Very low	102 Å²	102	115.5 Å²	115.5	53%	0.534	65%	0.651	S	S	.	*				-172.3	141.7	-51.4	-114.6	171.6	0	0	0	111.5
239	K	37.2	Very low	39.2	Very low	136 Å²	136	113 Å²	113	59%	0.591	64%	0.644	S	S	*	*			trans	70.4	159.2	167.3	-59.6	161	178.4	172.2	0	116.7	S1794	K239-S1794 WeakPolarHBondContact CE-OG 2.95Å
240	S	36.8	Very low	39.6	Very low	93 Å²	93	111.2 Å²	111.2	65%	0.65	65%	0.646	S	S	*	*			cis	-178.3	164.5	-14.5	48.5	0	0	0	0	108.3
241	S	36.6	Very low	39.9	Very low	67 Å²	67	113.2 Å²	113.2	47%	0.469	65%	0.646	S	S	.	*			cis	-172.9	-145.8	-11.5	50.5	0	0	0	0	109.4	E1796	S241-E1796 VanDerWaalsContact CB-OE2 3.25Å; S241-E1796 WeakPolarHBondContact CB-OE2 3.25Å; S241-E1796 PolarHBondContact OG-OE2 2.99Å
242	V	40.7	Very low	40	Very low	121 Å²	121	115.1 Å²	115.1	73%	0.733	65%	0.651	S	S	*	*			trans	88.7	94.1	161.6	-166.2	0	0	0	0	122.9
243	V	40.6	Very low	40.4	Very low	92 Å²	92	116.7 Å²	116.7	56%	0.558	66%	0.662	S	S	*	*				51.3	135.7	129	-162.2	0	0	0	0	125.6	P1798	V243-P1798 HydrophobicContact CB-CG 4.34Å; V243-P1798 HydrophobicContact CG1-CG 4.11Å; V243-P1798 HydrophobicContact CG2-CG 3.52Å
244	P	52	Low	40.3	Very low	85 Å²	85	118.5 Å²	118.5	55%	0.552	68%	0.675	S	S	*	*			trans	-122.2	-164.3	169.9	45.8	-33.4	0	0	0	115.5
245	D	38.2	Very low	40.2	Very low	131 Å²	131	115.7 Å²	115.7	70%	0.701	68%	0.675	S	S	*	*			trans	-157.4	178.5	165.5	-114.2	35.1	0	0	0	115.5	L1800	D245-L1800 HydrophobicContact CB-CD2 4.41Å; D245-L1800 WeakPolarHBondContact OD1-CD1 3.38Å; D245-L1800 WeakPolarHBondContact OD1-CD2 3.41Å
246	L	36.9	Very low	40	Very low	108 Å²	108	116.9 Å²	116.9	57%	0.565	68%	0.684	S	S	*	*			trans	-132.2	177.5	-155.1	-107	80.1	0	0	0	120.7	L1800 I1801	L246-L1800 HydrophobicContact CB-CD2 4.18Å; L246-L1800 HydrophobicContact CD1-CB 4.08Å; L246-L1800 HydrophobicContact CD1-CD2 4.34Å; L246-I1801 HydrophobicContact CD2-CG2 4.31Å
247	P	53.2	Low	39.9	Very low	109 Å²	109	115.8 Å²	115.8	71%	0.708	68%	0.682	S	S	*	*			trans	-127	-166	-165.3	48	-38.1	0	0	0	119.7
248	N	40.3	Very low	39.5	Very low	149 Å²	149	114.2 Å²	114.2	80%	0.797	68%	0.679	S	S	*	*			trans	-165	-176.2	171.4	-109.3	-116.6	0	0	0	109.9
249	A	40.3	Very low	39.3	Very low	85 Å²	85	114.4 Å²	114.4	70%	0.702	69%	0.688	S	S	*	*			cis	178.2	172.1	-30.9	0	0	0	0	0	108.9
250	A	41	Very low	39.2	Very low	85 Å²	85	112.2 Å²	112.2	70%	0.702	69%	0.69	S	S	*	*			cis	-169.8	174.4	-32.3	0	0	0	0	0	112.7
251	H	41.3	Very low	39.2	Very low	174 Å²	174	114.7 Å²	114.7	81%	0.806	70%	0.695	S	S	*	*			trans	76.9	116.2	163.1	-67.3	-79.5	0	0	0	126.3
252	H	37.2	Very low	39.3	Very low	172 Å²	172	121.2 Å²	121.2	80%	0.796	72%	0.715	S	S	*	*				22.4	168.1	122	-75.7	-74.4	0	0	0	125
253	P	45.6	Very low	39.1	Very low	99 Å²	99	118.6 Å²	118.6	64%	0.643	71%	0.712	S	S	*	*			cis	-143.2	176.4	-22.4	36.5	-16	0	0	0	117.7
254	S	36.5	Very low	38.9	Very low	110 Å²	110	125.9 Å²	125.9	77%	0.769	73%	0.729	S	S	*	*			trans	59.1	153.4	150.2	43.4	0	0	0	0	122.2
255	S	36.1	Very low	38.2	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	73%	0.732	S	S	*	*			cis	-166.8	156.4	-14.6	51.4	0	0	0	0	113.7
256	S	33.8	Very low	38.7	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	73%	0.733	S	S	*	*			trans	63	134.6	143.6	64	0	0	0	0	124
257	V	35.4	Very low	39	Very low	128 Å²	128	127.3 Å²	127.3	78%	0.776	74%	0.735	S	S	*	*				151.2	116.5	121.7	169	0	0	0	0	114.8
258	L	32.5	Very low	38.4	Very low	150 Å²	150	132 Å²	132	79%	0.785	74%	0.738	S	S	*	*			trans	33.1	118.8	148.1	-61	173.1	0	0	0	125.4
259	S	32.9	Very low	38.5	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	73%	0.731	S	S	*	*				72.1	162.1	128.8	91	0	0	0	0	118.6
260	S	35	Very low	38.5	Very low	90 Å²	90	133.9 Å²	133.9	63%	0.629	73%	0.73	S	S	*	*			cis	-159.6	150.9	24	-102.7	0	0	0	0	114.1
261	I	37.9	Very low	38.4	Very low	145 Å²	145	135.2 Å²	135.2	74%	0.744	73%	0.73	S	S	*	*			trans	40.9	111.1	135.4	-47.3	164.4	0	0	0	119.7
262	K	37.2	Very low	38.7	Very low	205 Å²	205	131.7 Å²	131.7	89%	0.891	72%	0.722	S	S	*	*				-173	126.6	118.7	-110.7	147.1	-173.5	169	0	115.5
263	G	36.8	Very low	38.6	Very low	65 Å²	65	132 Å²	132	67%	0.67	72%	0.721	S	S	*	*				102.6	112.3	101.3	0	0	0	0	0	120.8
264	R	35.9	Very low	38	Very low	245 Å²	245	133.7 Å²	133.7	93%	0.925	72%	0.724	S	S	*	*			trans	70.5	153.6	138.4	-72.3	-170.8	166.9	172.8	-5.4	120.4
265	S	39.2	Very low	37.7	Very low	86 Å²	86	133.7 Å²	133.7	60%	0.601	72%	0.719	S	S	*	*			cis	-175.5	160.1	-26.4	54.9	0	0	0	0	114.6
266	Q	47.7	Very low	37.3	Very low	156 Å²	156	133.5 Å²	133.5	73%	0.729	72%	0.718	S	S	*	*			trans	91.2	134.8	135.9	-95.3	-171.2	27.4	0	0	122.6
267	N	44.2	Very low	36.9	Very low	113 Å²	113	134.5 Å²	134.5	60%	0.604	72%	0.72	S	S	*	*			trans	80.4	141.8	142.2	-63.9	-12.5	0	0	0	119.6
268	R	38.8	Very low	37.2	Very low	206 Å²	206	134.3 Å²	134.3	78%	0.777	71%	0.714	S	S	*	*			cis	-161	154.3	-2.6	-128.1	172.5	168.9	-171.8	-3.1	113.4
269	I	43.1	Very low	37.4	Very low	126 Å²	126	131 Å²	131	65%	0.646	70%	0.701	S	S	*	*			trans	90.2	127.9	138.9	-93.3	163.9	0	0	0	123.5
270	H	39.8	Very low	37.3	Very low	149 Å²	149	130.1 Å²	130.1	69%	0.69	69%	0.689	S	S	*	*			trans	54.2	91.7	155.9	-63.7	-54.3	0	0	0	125.2
271	T	40.4	Very low	37.1	Very low	113 Å²	113	132.5 Å²	132.5	69%	0.693	69%	0.694	S	S	*	*				32.3	158.2	95.1	68.6	0	0	0	0	121
272	P	47.8	Very low	36.7	Very low	99 Å²	99	132 Å²	132	64%	0.643	69%	0.693	S	S	*	*			cis	-132	-167.4	-7.3	29.1	-3.9	0	0	0	112.5
273	F	33.8	Very low	36.3	Very low	178 Å²	178	128.7 Å²	128.7	78%	0.781	69%	0.685	S	S	*	*			cis	-155.7	154.1	15.4	-115.6	-37.4	0	0	0	112
274	I	33.3	Very low	36	Very low	136 Å²	136	131.8 Å²	131.8	70%	0.697	69%	0.686	S	S	*	*			trans	55.2	122.9	147.9	-59.1	168.1	0	0	0	118.6
275	T	29.7	Very low	35.5	Very low	109 Å²	109	129 Å²	129	67%	0.669	68%	0.681	S	S	*	*			cis	-164	125.1	-21.8	31	0	0	0	0	103.7
276	S	27.6	Very low	35	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	69%	0.689	S	S	*	*				59.2	132.1	71.8	80.8	0	0	0	0	113.5
277	T	25.8	Very low	34.2	Very low	125 Å²	125	128.6 Å²	128.6	77%	0.767	69%	0.687	S	S	*	*			cis	-165.9	150.7	-6.4	5.8	0	0	0	0	109
278	L	42.4	Very low	33.5	Very low	123 Å²	123	128.6 Å²	128.6	64%	0.644	69%	0.687	S	S	*	*			trans	-80	133.2	146.5	-74.2	166.5	0	0	0	107.2
279	P	36	Very low	33.1	Very low	80 Å²	80	124.1 Å²	124.1	52%	0.519	68%	0.675	S	S	.	*				-108.4	177.4	97.8	-6.5	27.1	0	0	0	110.8
280	N	31.6	Very low	32.6	Very low	88 Å²	88	124.9 Å²	124.9	47%	0.471	68%	0.681	S	S	.	*				49.2	145.1	62.9	-22.3	-20.4	0	0	0	111.7	R1350	N280-R1350 PolarHBondContact OD1-NH1 2.93Å
281	D	30.3	Very low	32.4	Very low	139 Å²	139	122.1 Å²	122.1	74%	0.743	67%	0.666	S	S	*	*			cis	-130.8	149.2	16.6	-66.3	-61.1	0	0	0	108
282	D	28.6	Very low	32.2	Very low	135 Å²	135	123.7 Å²	123.7	72%	0.722	66%	0.66	S	S	*	*			cis	107.1	139.9	43	-151.1	20.4	0	0	0	110.4
283	L	30.3	Very low	31.8	Very low	136 Å²	136	123.5 Å²	123.5	71%	0.712	66%	0.661	S	S	*	*			trans	71.1	137.8	166.5	-57.5	172.5	0	0	0	122.5
284	N	29.6	Very low	32.3	Very low	130 Å²	130	121.1 Å²	121.1	70%	0.695	66%	0.663	S	S	*	*			trans	65.6	108.7	153.4	-54.1	-22.5	0	0	0	119.1
285	F	25.8	Very low	32.5	Very low	186 Å²	186	117.9 Å²	117.9	82%	0.816	66%	0.663	S	S	*	*				76.7	120.2	66.1	-88.1	-76.9	0	0	0	115.2
286	T	27.9	Very low	33	Very low	126 Å²	126	121.5 Å²	121.5	77%	0.773	67%	0.67	S	S	*	*			trans	65.4	152.2	160.3	55.8	0	0	0	0	118.8
287	P	32	Very low	33.6	Very low	108 Å²	108	126.4 Å²	126.4	70%	0.701	67%	0.674	S	S	*	*			cis	-133.5	-151.3	-21.6	33.3	-11.1	0	0	0	112.2
288	N	28.8	Very low	34.6	Very low	112 Å²	112	128.7 Å²	128.7	60%	0.599	67%	0.673	S	S	*	*			trans	71.2	100.9	159.5	-69.5	34.6	0	0	0	120.4
289	E	31.5	Very low	34.4	Very low	113 Å²	113	127.1 Å²	127.1	53%	0.528	67%	0.672	S	S	.	*				50.2	109.5	111.3	-68.4	142.5	-165.3	0	0	118.7	E802	E289-E802 HydrophobicContact CB-CG 4.07Å; E289-E802 HydrophobicContact CG-CG 3.99Å
290	N	32.6	Very low	34.5	Very low	142 Å²	142	131.9 Å²	131.9	76%	0.759	69%	0.685	S	S	*	*			trans	-125.3	162.4	166	-104.3	-120.7	0	0	0	110.5	E802 A803	N290-E802 CarbonylContact O-C 2.96Å; N290-E802 VanDerWaalsContact O-C 3.3Å; N290-E802 WeakPolarHBondContact O-CA 3.4Å; N290-A803 PolarHBondContact O-N 2.9Å
291	K	35.4	Very low	34.6	Very low	90 Å²	90	133.9 Å²	133.9	39%	0.391	69%	0.691	S	S	.	*	B	Isolated β-bridge	trans	-132.6	133.1	-136.4	-61	-165	147.4	-149.5	0	117.5	E800 T801 E802	K291-E800 HydrophobicContact CD-CB 4.42Å; K291-E800 HydrophobicContact CD-CG 4.15Å; K291-E800 IonicContact NZ-OE2 3.34Å; K291-E800 PolarHBondContact NZ-OE2 3.38Å; K291-T801 PolarHBondContact NZ-OG1 3.49Å; K291-T801 VanDerWaalsContact NZ-OG1 3.09Å; K291-E802 VanDerWaalsContact CB-N 3.33Å; K291-E802 VanDerWaalsContact CG-N 3.29Å
292	R	36.4	Very low	35	Very low	147 Å²	147	135.4 Å²	135.4	56%	0.555	69%	0.691	S	S	*	*			trans	101.5	102.8	160.8	-66.7	-171.1	160.7	157.7	-1.1	122.3	T799 E800 T801 E802	R292-T799 PolarHBondContact NH1-O 2.66Å; R292-T799 PolarHBondContact NH2-O 2.97Å; R292-E800 VanDerWaalsContact CZ-C 3.5Å; R292-E800 PolarHBondContact NE-O 2.76Å; R292-E800 PolarHBondContact NH2-O 2.86Å; R292-T801 VanDerWaalsContact CA-O 3.26Å; R292-T801 WeakPolarHBondContact CA-O 3.16Å; R292-T801 VanDerWaalsContact CG-N 3.27Å; R292-T801 WeakPolarHBondContact CG-O 3.31Å; R292-T801 PolarHBondContact N-O 2.74Å; R292-E802 PolarHBondContact N-O 3.07Å
293	S	39.5	Very low	35.3	Very low	95 Å²	95	134.8 Å²	134.8	66%	0.664	69%	0.687	S	S	*	*				50.6	157.3	100.9	-65.3	0	0	0	0	122.6
294	P	44.4	Very low	35.5	Very low	128 Å²	128	134.5 Å²	134.5	83%	0.831	69%	0.686	S	S	*	*			cis	-127.7	177.1	-0.7	39.4	-22.2	0	0	0	116.2
295	G	36.3	Very low	35.8	Very low	67 Å²	67	135.3 Å²	135.3	69%	0.691	69%	0.689	S	S	*	*			trans	-76.8	-173.6	-173	0	0	0	0	0	118
296	F	40.6	Very low	36.3	Very low	186 Å²	186	133.8 Å²	133.8	82%	0.816	69%	0.688	S	S	*	*				-153	139.8	79.9	-115.1	-111.7	0	0	0	116.1
297	R	39.7	Very low	36.8	Very low	199 Å²	199	133.6 Å²	133.6	75%	0.751	68%	0.682	S	S	*	*			trans	58.9	101.8	153.6	-71.5	-178.9	-178	-164.4	0.4	123.2
298	K	46.4	Very low	37	Very low	173 Å²	173	135.3 Å²	135.3	75%	0.752	68%	0.681	S	S	*	*				84.6	89.8	117	-71.1	-174.2	176.9	-170.1	0	122.3
299	S	39.2	Very low	37.3	Very low	90 Å²	90	133.2 Å²	133.2	63%	0.629	68%	0.675	S	S	*	*				70.1	157.4	105.9	78.1	0	0	0	0	122
300	F	37.7	Very low	37.8	Very low	180 Å²	180	132.1 Å²	132.1	79%	0.789	68%	0.68	S	S	*	*			cis	-140.7	129.6	2.5	-101.9	-78.9	0	0	0	110.6
301	H	34.3	Very low	38.2	Very low	130 Å²	130	130.2 Å²	130.2	60%	0.602	67%	0.67	S	S	*	*				45.3	161.5	123.2	-79.2	-71.2	0	0	0	124.1
302	K	37.8	Very low	38.4	Very low	171 Å²	171	132.1 Å²	132.1	74%	0.743	68%	0.68	S	S	*	*			cis	-147.4	121.4	0.6	-143.7	142.2	-176	176.7	0	110.1
303	L	35.4	Very low	38.5	Very low	121 Å²	121	130 Å²	130	63%	0.634	69%	0.688	S	S	*	*				71.8	149.9	92.4	-56.3	-171.6	0	0	0	117.4
304	L	34.7	Very low	38.4	Very low	130 Å²	130	132.4 Å²	132.4	68%	0.681	69%	0.693	S	S	*	*			cis	-171.7	158.6	-12.8	-100.4	174.3	0	0	0	115.2
305	I	34.9	Very low	37.8	Very low	147 Å²	147	133.4 Å²	133.4	75%	0.754	69%	0.691	S	S	*	*			trans	82.9	156.1	135.8	-78.9	171.8	0	0	0	126.6
306	L	37.4	Very low	37.6	Very low	154 Å²	154	134.4 Å²	134.4	81%	0.806	69%	0.686	S	S	*	*			trans	-129.7	-171.2	-170.1	-75.6	167.7	0	0	0	110.8
307	N	37	Very low	37.1	Very low	122 Å²	122	134.5 Å²	134.5	65%	0.652	69%	0.687	S	S	*	*			cis	-136.9	-113.8	8	-157.4	31	0	0	0	113.5
308	E	36.1	Very low	36.9	Very low	144 Å²	144	132.4 Å²	132.4	67%	0.673	69%	0.688	S	S	*	*			cis	-159	-170.7	-0.4	-166.4	31.5	-104.5	0	0	111.7
309	S	36.6	Very low	36.1	Very low	68 Å²	68	130.8 Å²	130.8	48%	0.476	69%	0.688	S	S	.	*			trans	-136.3	-167.1	-167.2	76.9	0	0	0	0	112.2
310	S	42	Very low	35.8	Very low	90 Å²	90	133.8 Å²	133.8	63%	0.629	69%	0.692	S	S	*	*			cis	-160.2	-156.6	-3.6	44	0	0	0	0	107.6
311	N	40.7	Very low	35.7	Very low	102 Å²	102	133.5 Å²	133.5	55%	0.545	69%	0.691	S	S	.	*			cis	-163.1	172.6	1	-143.4	-20.5	0	0	0	114.3	E1403	N311-E1403 PolarHBondContact ND2-OE2 3.36Å
312	Q	39.4	Very low	35.5	Very low	131 Å²	131	137.7 Å²	137.7	61%	0.612	70%	0.703	S	S	*	*			trans	48.7	91.9	150.7	-79.2	175.9	54.7	0	0	126	E1403	Q312-E1403 PolarHBondContact NE2-OE2 2.91Å
313	S	39.2	Very low	35.3	Very low	102 Å²	102	136.6 Å²	136.6	71%	0.713	71%	0.705	S	S	*	*				52.5	137.9	114.1	70.9	0	0	0	0	126.3
314	N	37.3	Very low	35.3	Very low	145 Å²	145	138.6 Å²	138.6	78%	0.775	71%	0.711	S	S	*	*			trans	-154.5	-176.5	137.7	-126	-60.2	0	0	0	114.7
315	L	31.8	Very low	35.2	Very low	149 Å²	149	141.2 Å²	141.2	78%	0.78	73%	0.725	S	S	*	*			trans	-107.4	162.4	-154	-88.7	99.5	0	0	0	120.8
316	C	31.2	Very low	35.1	Very low	89 Å²	89	138.6 Å²	138.6	60%	0.601	72%	0.72	S	S	*	*			trans	96	117.9	140.7	-92.8	0	0	0	0	124
317	K	29.7	Very low	34.9	Very low	188 Å²	188	141.5 Å²	141.5	82%	0.817	72%	0.722	S	S	*	*			trans	66.6	147.6	147.5	-52.9	167.7	-172.4	169.1	0	115.9
318	I	35.9	Very low	34.7	Very low	154 Å²	154	140.7 Å²	140.7	79%	0.79	72%	0.721	S	S	*	*			cis	-152.7	159.7	49.7	-83.9	172.8	0	0	0	110.7
319	D	30.4	Very low	34.7	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	73%	0.725	S	S	*	*			trans	-74.3	148.6	171	-52.7	-90.7	0	0	0	113.5
320	Q	33.1	Very low	34.6	Very low	152 Å²	152	147.2 Å²	147.2	71%	0.71	74%	0.741	S	S	*	*				170.4	168.9	124.7	-92.6	154.6	76.1	0	0	115.4
321	F	34.3	Very low	34.3	Very low	175 Å²	175	151.9 Å²	151.9	77%	0.768	75%	0.753	S	S	*	*			trans	64.5	99.1	165.9	-58.4	-60.5	0	0	0	121
322	Y	31.5	Very low	34	Very low	218 Å²	218	151 Å²	151	86%	0.855	76%	0.76	S	S	*	*				-73.1	168.7	129.2	-95.2	-115.3	0	0	0	109.7
323	D	33.5	Very low	33.8	Very low	148 Å²	148	152.3 Å²	152.3	79%	0.791	77%	0.769	S	S	*	*			trans	70.8	139.1	-174.2	-49.4	-36.1	0	0	0	111.7
324	E	34.9	Very low	33.7	Very low	162 Å²	162	154.1 Å²	154.1	76%	0.757	77%	0.767	S	S	*	*			cis	-131	153.7	8.9	-63.4	179.7	144.2	0	0	112.1
325	L	32.6	Very low	33.4	Very low	185 Å²	185	150.7 Å²	150.7	97%	0.969	75%	0.754	S	S	*	*			trans	-140.6	73.8	157.8	-90.3	-175.8	0	0	0	110.5
326	S	33.2	Very low	33.5	Very low	92 Å²	92	151.1 Å²	151.1	64%	0.643	75%	0.75	S	S	*	*			trans	-144.1	113.9	169.4	55.8	0	0	0	0	112.9
327	Y	33.4	Very low	33.6	Very low	216 Å²	216	157.9 Å²	157.9	85%	0.847	76%	0.763	S	S	*	*			trans	80.8	101.5	147	-107.1	-122.4	0	0	0	121.4
328	V	33	Very low	33.8	Very low	104 Å²	104	153.8 Å²	153.8	63%	0.63	76%	0.758	S	S	*	*				91.1	145.5	110.4	156	0	0	0	0	121.5
329	K	35.5	Very low	34.1	Very low	176 Å²	176	151.6 Å²	151.6	77%	0.765	75%	0.754	S	S	*	*			trans	71.8	130.9	176.2	-77.9	168.4	175.9	-175.9	0	115.2
330	Q	34.9	Very low	34.1	Very low	174 Å²	174	150 Å²	150	81%	0.813	75%	0.754	S	S	*	*			cis	73	87.8	41.8	-64.8	-174	-46.3	0	0	115
331	Q	34.3	Very low	34.2	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	75%	0.754	S	S	*	*				-142.2	140.1	109.9	-92.3	152.4	-1.6	0	0	105.4
332	A	34.4	Very low	34.2	Very low	85 Å²	85	143.2 Å²	143.2	70%	0.702	75%	0.75	S	S	*	*			cis	83.8	139.7	35.3	0	0	0	0	0	113.5
333	I	36.3	Very low	34.3	Very low	157 Å²	157	137.8 Å²	137.8	81%	0.805	73%	0.733	S	S	*	*			trans	88.4	124.3	-177.1	-57.6	163.3	0	0	0	113
334	E	35.7	Very low	34.4	Very low	140 Å²	140	135.5 Å²	135.5	65%	0.654	72%	0.717	S	S	*	*			cis	-147.4	151.1	-16.7	-109.3	-170	118.6	0	0	107.5	K336	E334-K336 IonicContact OE1-NZ 3.3Å; E334-K336 PolarHBondContact OE1-NZ 2.77Å
335	S	32.9	Very low	34.6	Very low	74 Å²	74	131.5 Å²	131.5	52%	0.517	70%	0.701	S	S	.	*				51.1	132.2	82	116.6	0	0	0	0	113.5
336	K	32.7	Very low	34.7	Very low	158 Å²	158	127.2 Å²	127.2	69%	0.687	68%	0.676	S	S	*	*			cis	-141.3	153.5	19.6	-91.5	127.8	-167.8	140.8	0	108.8	E334	E334-K336 IonicContact OE1-NZ 3.3Å; E334-K336 PolarHBondContact OE1-NZ 2.77Å
337	R	34.5	Very low	34.6	Very low	230 Å²	230	131.1 Å²	131.1	87%	0.868	68%	0.682	S	S	*	*				54.6	141.1	70.9	-82.4	-166.4	-170.4	169.9	3.2	113.3
338	S	33.1	Very low	34.6	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	67%	0.667	S	S	*	*			cis	-162.9	-137.2	-6.7	45.8	0	0	0	0	111.6
339	P	41	Very low	34.6	Very low	108 Å²	108	129.2 Å²	129.2	70%	0.701	67%	0.674	S	S	*	*			trans	-128	-136.5	-137.3	40.7	-15.5	0	0	0	112.2
340	S	31.2	Very low	34.4	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	67%	0.669	S	S	*	*			trans	78	156.4	171	77.4	0	0	0	0	114.8
341	T	34.9	Very low	34.3	Very low	117 Å²	117	126.2 Å²	126.2	72%	0.718	66%	0.664	S	S	*	*			cis	-147.9	165	7.7	-33.9	0	0	0	0	111.9
342	G	35.1	Very low	34.2	Very low	67 Å²	67	122 Å²	122	69%	0.691	66%	0.655	S	S	*	*			trans	150.2	97.2	164.1	0	0	0	0	0	111.2
343	Q	33.2	Very low	34.1	Very low	104 Å²	104	124.6 Å²	124.6	49%	0.486	66%	0.655	S	S	.	*				68.3	129.4	57.7	-71	-153.2	-68.2	0	0	113.2
344	E	36.3	Very low	34	Very low	99 Å²	99	124.4 Å²	124.4	46%	0.463	66%	0.656	S	S	.	*			cis	-150.6	175.6	-1.8	-78.8	-111.1	121.1	0	0	106.5
345	N	37.5	Very low	34.1	Very low	78 Å²	78	124.8 Å²	124.8	42%	0.417	66%	0.662	S	S	.	*			cis	-164.9	-176.7	0.8	-111.3	-15.6	0	0	0	108.4	N1812	N345-N1812 PolarHBondContact ND2-ND2 3.44Å
346	Q	35.8	Very low	34.4	Very low	95 Å²	95	127.3 Å²	127.3	44%	0.444	68%	0.677	S	S	.	*			cis	179.1	136.6	-45.1	169.6	-176.3	118.1	0	0	111.5
347	F	31.6	Very low	34.4	Very low	175 Å²	175	125.7 Å²	125.7	77%	0.768	68%	0.68	S	S	*	*			trans	64.6	158.8	160	-74.4	-31.4	0	0	0	121.1
348	C	32.6	Very low	34.5	Very low	78 Å²	78	123 Å²	123	53%	0.527	68%	0.677	S	S	.	*			cis	-173.2	179.9	-26.5	-160.2	0	0	0	0	110.8
349	Y	32.5	Very low	34.6	Very low	202 Å²	202	125.9 Å²	125.9	79%	0.792	68%	0.68	S	S	*	*			trans	71.9	149	156.9	-64.8	-53.7	0	0	0	119
350	D	32.5	Very low	34.3	Very low	122 Å²	122	125.3 Å²	125.3	65%	0.652	68%	0.679	S	S	*	*			cis	-169.8	176	-23.1	-158.7	0.4	0	0	0	110
351	K	33.5	Very low	34.5	Very low	164 Å²	164	125.5 Å²	125.5	71%	0.713	68%	0.68	S	S	*	*			trans	72.8	112.4	150.1	-73.3	-171.4	-175.9	179.9	0	122.9
352	C	31	Very low	34.4	Very low	100 Å²	100	129.6 Å²	129.6	68%	0.676	68%	0.682	S	S	*	*				99.4	130.1	106.3	-79	0	0	0	0	123.8
353	I	32.6	Very low	34.4	Very low	139 Å²	139	132.5 Å²	132.5	71%	0.713	68%	0.678	S	S	*	*				99.4	133.8	121.3	-78.9	171.4	0	0	0	121.3
354	N	34.1	Very low	34.4	Very low	152 Å²	152	137.4 Å²	137.4	81%	0.813	69%	0.693	S	S	*	*			trans	80.8	117.1	159.5	-74	-6	0	0	0	123.1
355	D	37.3	Very low	34.4	Very low	148 Å²	148	138.8 Å²	138.8	79%	0.791	70%	0.702	S	S	*	*			trans	-65.9	167	140.3	-78.5	-55.6	0	0	0	110.9
356	P	39.6	Very low	34.6	Very low	128 Å²	128	140.4 Å²	140.4	83%	0.831	72%	0.717	S	S	*	*				-138.5	176.7	114.5	38.2	-26.9	0	0	0	115.3
357	T	32.5	Very low	34.6	Very low	123 Å²	123	143.3 Å²	143.3	76%	0.755	73%	0.731	S	S	*	*			trans	-104.7	-169.3	-170.2	-45.7	0	0	0	0	111.6
358	E	36.1	Very low	34.8	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	73%	0.727	S	S	*	*			trans	80.4	154.1	159.5	-79.7	161.4	-164.8	0	0	117.1
359	E	36.7	Very low	34.8	Very low	164 Å²	164	144 Å²	144	77%	0.766	74%	0.736	S	S	*	*			cis	-147	164.7	8.9	-133.7	-168.1	150.2	0	0	113.9
360	S	33.7	Very low	34.9	Very low	97 Å²	97	139.8 Å²	139.8	68%	0.678	73%	0.731	S	S	*	*			trans	11.5	154.7	136	-136.2	0	0	0	0	120.9
361	S	35.7	Very low	34.9	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	74%	0.738	S	S	*	*			cis	-164.9	-153.5	36.9	66.4	0	0	0	0	116
362	R	33.1	Very low	35.4	Very low	203 Å²	203	137.2 Å²	137.2	77%	0.766	74%	0.741	S	S	*	*			trans	-96.3	-178.4	-150.4	-68.8	169.4	159.7	-141.7	-2	116
363	E	33.9	Very low	35.7	Very low	129 Å²	129	139.5 Å²	139.5	60%	0.603	75%	0.746	S	S	*	*			cis	-132.6	-112.6	3.8	-159.4	78.3	-74.1	0	0	113
364	Y	33.9	Very low	35.7	Very low	207 Å²	207	136.2 Å²	136.2	81%	0.812	74%	0.735	S	S	*	*			cis	-157.2	-176.9	0.5	-166.3	-108.4	0	0	0	111.4
365	I	35.9	Very low	35.9	Very low	128 Å²	128	136.4 Å²	136.4	66%	0.656	73%	0.732	S	S	*	*			trans	-153.8	-171.5	-161.6	3	174.1	0	0	0	113.2
366	P	42.5	Very low	35.7	Very low	112 Å²	112	140.5 Å²	140.5	73%	0.727	74%	0.736	S	S	*	*			cis	-127.6	-155.4	-38	43.9	-27.4	0	0	0	110.9
367	E	35.6	Very low	35.8	Very low	155 Å²	155	141.9 Å²	141.9	72%	0.724	74%	0.735	S	S	*	*			cis	-128	-95.7	-26.2	-157.2	-73.2	-76.1	0	0	110.1	L369	E367-L369 PolarHBondContact OE1-N 2.81Å
368	L	34.6	Very low	35.8	Very low	131 Å²	131	141.4 Å²	141.4	69%	0.686	73%	0.732	S	S	*	*			cis	-158.7	128.2	-5.3	-94.4	175.1	0	0	0	111.9
369	L	33.8	Very low	35.8	Very low	137 Å²	137	143.2 Å²	143.2	72%	0.717	73%	0.731	S	S	*	*			trans	61.5	154.7	153.3	-53.9	172.7	0	0	0	118.7	E367	E367-L369 PolarHBondContact OE1-N 2.81Å
370	T	34.9	Very low	36	Very low	114 Å²	114	144 Å²	144	70%	0.699	73%	0.732	S	S	*	*			cis	-161.8	144.3	-8.9	12.4	0	0	0	0	114.1
371	S	32.3	Very low	36	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	73%	0.73	S	S	*	*			trans	66.1	161	136.3	-71.7	0	0	0	0	125.5
372	P	43.9	Very low	36.3	Very low	119 Å²	119	146.2 Å²	146.2	77%	0.773	73%	0.734	S	S	*	*			trans	-138.4	-133.9	-150.2	44.9	-23.5	0	0	0	115.7
373	N	36	Very low	36.4	Very low	147 Å²	147	142 Å²	142	79%	0.786	74%	0.735	S	S	*	*			trans	82.4	156	171.8	-111.3	-23	0	0	0	117
374	S	33	Very low	36.8	Very low	70 Å²	70	139.9 Å²	139.9	49%	0.49	74%	0.74	S	S	.	*			cis	-158.4	164.3	-3.2	-150.1	0	0	0	0	114.3
375	Q	38.2	Very low	37.4	Very low	157 Å²	157	140.1 Å²	140.1	73%	0.734	75%	0.745	S	S	*	*			trans	63.7	134.2	154.5	-73.7	159.9	71	0	0	120.2
376	R	33.4	Very low	37.7	Very low	233 Å²	233	138.9 Å²	138.9	88%	0.879	75%	0.748	S	S	*	*				65.5	140.8	67.9	-64.1	-178.2	171.7	178.3	-1.7	112
377	I	41.7	Very low	37.7	Very low	157 Å²	157	138.9 Å²	138.9	81%	0.805	75%	0.751	S	S	*	*			cis	-147.6	170.9	48.4	-76.9	174	0	0	0	112.4
378	T	33.3	Very low	38.2	Very low	113 Å²	113	140.5 Å²	140.5	69%	0.693	76%	0.758	S	S	*	*			trans	-110.1	161.3	-179.6	56.3	0	0	0	0	113.8
379	R	36.6	Very low	38.5	Very low	211 Å²	211	144.2 Å²	144.2	80%	0.796	77%	0.769	S	S	*	*			trans	151.8	141.4	131.2	-83.4	161.3	179.9	-160.5	0.1	115.5
380	K	39	Very low	39	Very low	182 Å²	182	145.8 Å²	145.8	79%	0.791	78%	0.776	S	S	*	*			trans	52	153.2	130.7	-62.7	-177.1	179.4	-172.4	0	120.4
381	S	35.4	Very low	39	Very low	89 Å²	89	143.3 Å²	143.3	62%	0.622	76%	0.764	S	S	*	*			cis	-178.4	165.7	-8.5	48	0	0	0	0	112.5
382	L	40.7	Very low	39.4	Very low	164 Å²	164	144.6 Å²	144.6	86%	0.859	76%	0.76	S	S	*	*			trans	70.2	160.7	159.6	-65.1	156.7	0	0	0	117.1
383	S	35.6	Very low	39	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	75%	0.749	S	S	*	*			cis	-116.4	-112.6	5.5	-167.4	0	0	0	0	113.8
384	A	42.2	Very low	39.2	Very low	86 Å²	86	144.2 Å²	144.2	71%	0.711	75%	0.748	S	S	*	*			cis	-159.4	-176.4	3.4	0	0	0	0	0	112.3
385	K	46.5	Very low	39.3	Very low	212 Å²	212	146 Å²	146	92%	0.922	76%	0.76	S	S	*	*			trans	-138.4	170.1	178.5	-57.2	174.6	-174.7	173.3	0	108.6
386	S	43.4	Very low	39.9	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	76%	0.76	S	S	*	*			cis	-152.7	161.7	9.1	-175	0	0	0	0	107.1
387	S	41.9	Very low	40.2	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	76%	0.757	S	S	*	*			cis	94.4	155.9	22.9	-147.1	0	0	0	0	117.2
388	Q	44.8	Very low	40.3	Very low	189 Å²	189	139.3 Å²	139.3	88%	0.883	75%	0.753	S	S	*	*			trans	77.5	142.1	-166.1	-54.4	-173.5	8.1	0	0	117.1
389	K	42.7	Very low	40.8	Very low	208 Å²	208	140.8 Å²	140.8	90%	0.904	75%	0.753	S	S	*	*			cis	146.3	116.7	-45.7	-175	-178.2	178.9	-174.3	0	111.7
390	I	42.4	Very low	40.9	Very low	171 Å²	171	137.9 Å²	137.9	88%	0.877	75%	0.748	S	S	*	*			trans	-156.5	163.5	166.2	-159.3	165.1	0	0	0	111.1
391	S	36.1	Very low	41.2	Very low	62 Å²	62	136 Å²	136	43%	0.434	74%	0.742	S	S	.	*			trans	-167.9	-173.1	171.8	65.1	0	0	0	0	111.3
392	I	40.6	Very low	41.8	Very low	140 Å²	140	137.9 Å²	137.9	72%	0.718	74%	0.744	S	S	*	*			trans	92.6	122.9	173.8	-56.5	158.6	0	0	0	112.3
393	A	35.3	Very low	42.1	Very low	66 Å²	66	136.5 Å²	136.5	55%	0.545	74%	0.736	S	S	.	*			cis	91.9	141.8	26.8	0	0	0	0	0	113.5
394	Y	39.5	Very low	43	Very low	192 Å²	192	137.4 Å²	137.4	75%	0.753	73%	0.732	S	S	*	*			cis	-167.4	177.3	-3.6	-139.7	-101.7	0	0	0	110.3
395	S	36.5	Very low	43.3	Very low	108 Å²	108	144.1 Å²	144.1	76%	0.755	74%	0.739	S	S	*	*			trans	96.3	146.6	151.1	-138.2	0	0	0	0	121.1
396	P	50	Low	43.4	Very low	111 Å²	111	139.2 Å²	139.2	72%	0.721	72%	0.723	S	S	*	*			trans	-134.8	175.8	-178.3	45.3	-31.1	0	0	0	116.3
397	E	40.1	Very low	43.6	Very low	175 Å²	175	144 Å²	144	82%	0.818	73%	0.725	S	S	*	*			trans	-162.9	123.3	152.8	-117.2	164.6	-161.1	0	0	111.5
398	T	42.9	Very low	43.8	Very low	119 Å²	119	145.9 Å²	145.9	73%	0.73	72%	0.72	S	S	*	*				91.8	-176.4	107.3	44.6	0	0	0	0	116.3
399	E	43.5	Very low	43.7	Very low	145 Å²	145	147 Å²	147	68%	0.678	72%	0.716	S	S	*	*			trans	75.6	125.5	-176.5	-53.1	-68.4	71.8	0	0	115.8
400	Q	39.4	Very low	43.5	Very low	149 Å²	149	143.5 Å²	143.5	70%	0.696	71%	0.712	S	S	*	*				64.4	144.7	91.3	-54.9	-162.4	66.5	0	0	112.9
401	E	44.9	Very low	43.8	Very low	144 Å²	144	142.8 Å²	142.8	67%	0.673	71%	0.708	S	S	*	*			cis	-162.2	-178.2	8.9	-144.9	-154.6	144.9	0	0	111.3
402	L	47.8	Very low	44	Very low	127 Å²	127	144 Å²	144	67%	0.665	72%	0.717	S	S	*	*			trans	61	161.2	156.2	-56.6	166.1	0	0	0	119.1
403	I	48.9	Very low	44	Very low	135 Å²	135	139 Å²	139	69%	0.692	70%	0.7	S	S	*	*			cis	-138.8	155.5	-18.2	-131.4	164	0	0	0	113.2
404	N	53.5	Low	44.4	Very low	133 Å²	133	142.9 Å²	142.9	71%	0.711	71%	0.705	S	S	*	*			trans	-38.9	176.4	175	-66.7	-68	0	0	0	122
405	R	47.5	Very low	44.4	Very low	227 Å²	227	137.6 Å²	137.6	86%	0.857	69%	0.692	S	S	*	*			trans	98.1	128.6	154.5	-54.5	-179.9	-179.7	163.1	0.6	116
406	N	48.6	Very low	44.5	Very low	109 Å²	109	139.5 Å²	139.5	58%	0.583	68%	0.684	S	S	*	*			cis	-160.3	153.7	-9.2	-121.6	-23.7	0	0	0	114.9
407	R	49.4	Very low	44.2	Very low	201 Å²	201	139.7 Å²	139.7	76%	0.758	69%	0.685	S	S	*	*			trans	26.1	134.9	131.6	-71.5	168.4	-172.3	-176.2	-1.9	117.9
408	K	45.4	Very low	44.4	Very low	152 Å²	152	137 Å²	137	66%	0.661	68%	0.681	S	S	*	*			cis	-166.6	169.4	21.2	-93.2	149.5	178.5	175.9	0	106.7
409	R	42.9	Very low	44.4	Very low	212 Å²	212	133.6 Å²	133.6	80%	0.8	67%	0.665	S	S	*	*			cis	-154.5	134.5	1.6	-125.8	155.9	-172.9	169	-3.7	109.6
410	T	38	Very low	44.6	Very low	135 Å²	135	133.5 Å²	133.5	83%	0.828	67%	0.665	S	S	*	*			trans	-101.1	131.9	170.9	32.2	0	0	0	0	111.3
411	I	50	Low	45.1	Very low	156 Å²	156	129.3 Å²	129.3	80%	0.8	65%	0.647	S	S	*	*			trans	-152.2	115.7	157.3	-57.2	-174.8	0	0	0	106.3
412	S	39.1	Very low	45.1	Very low	87 Å²	87	129 Å²	129	61%	0.608	65%	0.647	S	S	*	*			cis	85.7	155.5	22.3	-143.1	0	0	0	0	116.7
413	G	40.8	Very low	45.3	Very low	36 Å²	36	128.3 Å²	128.3	37%	0.371	64%	0.643	S	S	.	*			trans	78.8	159	-179.6	0	0	0	0	0	117.3	K600 K601	G413-K600 WeakPolarHBondContact O-CB 3.35Å; G413-K600 WeakPolarHBondContact O-CD 3.06Å; G413-K601 WeakPolarHBondContact O-CD 3.27Å
414	K	43.9	Very low	45.4	Very low	148 Å²	148	126 Å²	126	64%	0.643	65%	0.645	S	S	*	*			cis	-124	-106.1	-21.7	170.2	-160.8	160.8	-164.2	0	110.1	D599 K600	K414-D599 VanDerWaalsContact CA-OD1 3.23Å; K414-D599 WeakPolarHBondContact CA-OD1 3.31Å; K414-D599 WeakPolarHBondContact CB-OD1 3.43Å; K414-D599 WeakPolarHBondContact CB-OD2 3.31Å; K414-D599 WeakPolarHBondContact CD-OD2 3.46Å; K414-D599 WeakPolarHBondContact CG-OD2 3.29Å; K414-D599 PolarHBondContact N-OD1 2.84Å; K414-K600 CarbonylContact C-O 3.44Å; K414-K600 VanDerWaalsContact O-O 3.06Å
415	T	40	Very low	45.6	Very low	80 Å²	80	125.9 Å²	125.9	49%	0.491	65%	0.649	S	S	.	*			trans	-154.7	106.3	-161.6	-54.9	0	0	0	0	119.4	D599 K600 K601	T415-D599 PolarHBondContact N-OD1 2.95Å; T415-D599 PolarHBondContact N-OD2 2.94Å; T415-K600 WeakPolarHBondContact CA-O 3.14Å; T415-K600 PolarHBondContact N-O 2.83Å; T415-K601 VanDerWaalsContact CA-O 3.27Å; T415-K601 WeakPolarHBondContact CA-O 2.9Å
416	Y	38.7	Very low	45.8	Very low	148 Å²	148	120.2 Å²	120.2	58%	0.58	63%	0.63	S	S	*	*			trans	53.1	-178	149.6	-89.3	-154	0	0	0	119.4	K601 S603	Y416-K601 WeakPolarHBondContact CD2-O 3.42Å; Y416-K601 PolarHBondContact N-O 2.88Å; Y416-S603 VanDerWaalsContact CZ-CA 3.5Å; Y416-S603 WeakPolarHBondContact OH-CB 3.42Å
417	P	42.4	Very low	46.1	Very low	115 Å²	115	126.3 Å²	126.3	75%	0.747	65%	0.645	S	S	*	*			cis	-103.1	-132.5	-12.7	15.3	9.6	0	0	0	112.6
418	T	44.1	Very low	46.5	Very low	120 Å²	120	128.6 Å²	128.6	74%	0.736	65%	0.654	S	S	*	*			cis	-141.1	-141.6	5.5	-41.4	0	0	0	0	112
419	A	43.1	Very low	47	Very low	46 Å²	46	133.8 Å²	133.8	38%	0.38	67%	0.669	S	S	.	*			trans	-147.6	165.9	-156.4	0	0	0	0	0	117.2	S908 E909	A419-S908 VanDerWaalsContact CA-OG 3.25Å; A419-S908 WeakPolarHBondContact CA-OG 3.38Å; A419-S908 PolarHBondContact N-OG 2.79Å; A419-S908 VanDerWaalsContact O-CB 3.26Å; A419-S908 WeakPolarHBondContact O-CB 3.27Å; A419-S908 PolarHBondContact O-OG 3.38Å; A419-E909 WeakPolarHBondContact O-CB 2.93Å; A419-E909 WeakPolarHBondContact O-CG 3.22Å
420	E	47.2	Very low	47.8	Very low	144 Å²	144	127 Å²	127	67%	0.673	67%	0.665	S	S	*	*			trans	68.5	178.1	167.9	-32.6	-144.8	155.3	0	0	124.2	V907 S908 E909	E420-V907 VanDerWaalsContact O-CG1 3.28Å; E420-V907 WeakPolarHBondContact O-CG1 3.17Å; E420-S908 WeakPolarHBondContact O-CA 3.31Å; E420-E909 HydrophobicContact CB-CG 4.07Å; E420-E909 WeakPolarHBondContact CB-OE1 3.08Å; E420-E909 PolarHBondContact O-N 2.8Å
421	D	50.1	Low	49.3	Very low	60 Å²	60	125.5 Å²	125.5	32%	0.321	66%	0.656	S	S	.	*			trans	53.8	115.8	-163.7	-147.9	-19.6	0	0	0	119.4	V907 L910 Q2162	D421-V907 WeakPolarHBondContact O-CG1 3.4Å; D421-L910 HydrophobicContact CB-CG 4.46Å; D421-Q2162 PolarHBondContact OD2-NE2 2.69Å
422	M	46.1	Very low	50.5	Low	138 Å²	138	122.6 Å²	122.6	68%	0.68	65%	0.649	S	S	*	*			trans	-151.6	102.9	179.1	-99.3	-110.9	86.3	0	0	112.6	V907	M422-V907 HydrophobicContact CE-CG2 3.94Å; M422-V907 HydrophobicContact CG-CB 4.35Å; M422-V907 HydrophobicContact CG-CG1 3.85Å; M422-V907 HydrophobicContact CG-CG2 3.59Å; M422-V907 HydrophobicContact SD-CG2 3.77Å
423	L	51.4	Low	52.2	Low	112 Å²	112	126 Å²	126	59%	0.586	65%	0.654	S	S	*	*			trans	-122.1	73.6	172.9	-76.9	-179.1	0	0	0	116.5	Q2162	L423-Q2162 HydrophobicContact CD1-CB 4.2Å
424	A	51.9	Low	54.2	Low	87 Å²	87	127.3 Å²	127.3	72%	0.719	67%	0.667	S	S	*	*			trans	43.7	94	135.2	0	0	0	0	0	121.1
425	T	57	Low	55.9	Low	131 Å²	131	125.9 Å²	125.9	80%	0.804	67%	0.673	S	S	*	*			trans	-90	115.8	156.5	48.7	0	0	0	0	112.7	R427	T425-R427 PolarHBondContact O-N 3.04Å
426	K	52	Low	57.6	Low	108 Å²	108	128.2 Å²	128.2	47%	0.47	69%	0.689	S	S	.	*			trans	-55.9	116.6	176.7	-78.8	179.5	-179.2	168	0	113.1	K961 T962	K426-K961 HydrophobicContact CD-CB 4.34Å; K426-K961 HydrophobicContact CD-CD 4.13Å; K426-K961 HydrophobicContact CD-CG 4.25Å; K426-K961 PolarHBondContact NZ-O 2.85Å; K426-T962 PolarHBondContact NZ-O 3.08Å; K426-T962 PolarHBondContact NZ-OG1 3.21Å
427	R	54.8	Low	59.2	Low	237 Å²	237	125.6 Å²	125.6	89%	0.894	69%	0.685	S	S	*	*			trans	-106.3	155.5	160.2	-73.8	-175.9	166.7	177.3	-4	111.3	T425	T425-R427 PolarHBondContact O-N 3.04Å
428	R	57.9	Low	60.7	Low	249 Å²	249	122.2 Å²	122.2	94%	0.94	66%	0.664	S	S	*	*			trans	-73	162.3	-171.3	-68.7	173	169.6	163	-5.9	111.6	G430	R428-G430 PolarHBondContact O-N 3.23Å
429	R	55.6	Low	62.1	Low	260 Å²	260	122 Å²	122	98%	0.981	66%	0.664	S	S	*	*			trans	-60.5	95.9	165.2	-79.1	-177.1	172.4	178.8	-4.4	109
430	G	60.6	Low	63.5	Low	70 Å²	70	126 Å²	126	72%	0.722	68%	0.675	S	S	*	*			trans	-86.9	134.4	173.3	0	0	0	0	0	110.8	R428 S432	R428-G430 PolarHBondContact O-N 3.23Å; G430-S432 PolarHBondContact O-N 2.78Å
431	V	69.1	Low	64.6	Low	104 Å²	104	128.1 Å²	128.1	63%	0.63	68%	0.677	S	S	*	*			trans	-75.4	114.6	166.5	177.8	0	0	0	0	107.4	F433	V431-F433 PolarHBondContact O-N 2.81Å
432	S	73.8	Confident	65.5	Low	94 Å²	94	130.9 Å²	130.9	66%	0.657	69%	0.687	S	S	*	*			trans	-80.4	113.8	166.8	52.2	0	0	0	0	109	G430	G430-S432 PolarHBondContact O-N 2.78Å
433	F	76.3	Confident	66.7	Low	160 Å²	160	127.6 Å²	127.6	70%	0.702	67%	0.672	S	S	*	*			trans	-65.2	163.4	162	-62.7	-91.9	0	0	0	109.8	V431	V431-F433 PolarHBondContact O-N 2.81Å
434	G	83	Confident	67.6	Low	63 Å²	63	129.9 Å²	129.9	65%	0.649	68%	0.677	S	S	*	*			trans	-63.8	179.9	171.7	0	0	0	0	0	112.7
435	P	78.6	Confident	68.7	Low	118 Å²	118	130 Å²	130	77%	0.766	67%	0.673	S	S	*	*	S	Bend	trans	-53.6	138.4	171.4	25.1	-34.2	0	0	0	109.7	L437	P435-L437 PolarHBondContact O-N 2.8Å
436	P	75.1	Confident	69.6	Low	128 Å²	128	128.4 Å²	128.4	83%	0.831	66%	0.658	S	S	*	*			trans	-61.8	114.6	-174.7	24.9	-33.6	0	0	0	109.8	S438	P436-S438 PolarHBondContact O-N 2.81Å
437	L	74	Confident	71	Confident	93 Å²	93	126.4 Å²	126.4	49%	0.487	66%	0.657	S	S	.	*			trans	-62.2	123.1	166	-64.1	176.9	0	0	0	106.9	P435 R441 F442	P435-L437 PolarHBondContact O-N 2.8Å; L437-R441 HydrophobicContact CB-CB 4.31Å; L437-F442 HydrophobicContact CB-CE2 4.16Å
438	S	74	Confident	72	Confident	45 Å²	45	122.2 Å²	122.2	32%	0.315	66%	0.66	S	S	.	*			trans	-58	151.7	173.4	51	0	0	0	0	109.7	P436 E440 R441	P436-S438 PolarHBondContact O-N 2.81Å; S438-E440 PolarHBondContact O-N 2.81Å; S438-E440 VanDerWaalsContact O-N 3.07Å; S438-R441 WeakPolarHBondContact O-CB 3.13Å; S438-R441 PolarHBondContact O-N 3.46Å
439	P	71.9	Confident	72.7	Confident	115 Å²	115	115 Å²	115	75%	0.747	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-51.5	-32.3	173	-29.7	37.1	0	0	0	113	R441 F442	P439-R441 PolarHBondContact O-N 3.31Å; P439-F442 PolarHBondContact O-N 2.74Å
440	E	72.4	Confident	73.6	Confident	130 Å²	130	105.6 Å²	105.6	61%	0.607	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-61.6	-16.5	173.2	-55.8	-174	132.9	0	0	115.4	S438 K1098	S438-E440 PolarHBondContact O-N 2.81Å; S438-E440 VanDerWaalsContact O-N 3.07Å; E440-K1098 IonicContact OE1-NZ 2.67Å; E440-K1098 PolarHBondContact OE1-NZ 2.85Å; E440-K1098 IonicContact OE2-NZ 3.44Å; E440-K1098 PolarHBondContact OE2-NZ 2.72Å
441	R	71	Confident	74.2	Confident	189 Å²	189	108 Å²	108	71%	0.713	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-100.6	-3.6	177.8	-76.1	-170.2	177.3	-151.3	-0.3	113.8	L437 S438 P439	L437-R441 HydrophobicContact CB-CB 4.31Å; S438-R441 WeakPolarHBondContact O-CB 3.13Å; S438-R441 PolarHBondContact O-N 3.46Å; P439-R441 PolarHBondContact O-N 3.31Å
442	F	68.6	Low	74.3	Confident	118 Å²	118	106.7 Å²	106.7	52%	0.518	61%	0.614	S	S	.	*	S	Bend	trans	-76.4	136.8	160.7	-71.4	-97.8	0	0	0	107.5	L437 P439 K444	L437-F442 HydrophobicContact CB-CE2 4.16Å; P439-F442 PolarHBondContact O-N 2.74Å; F442-K444 PolarHBondContact O-N 2.67Å
443	D	71.8	Confident	74.1	Confident	69 Å²	69	110.9 Å²	110.9	37%	0.369	62%	0.621	S	S	.	*			trans	-63.7	120	-178	-167.5	-32.9	0	0	0	109.4	S445 L446	D443-S445 PolarHBondContact O-N 2.86Å; D443-S445 VanDerWaalsContact O-N 3.08Å; D443-S445 WeakPolarHBondContact OD1-CB 3.4Å; D443-S445 PolarHBondContact OD1-N 3.29Å; D443-S445 PolarHBondContact OD1-OG 2.84Å; D443-S445 PolarHBondContact OD2-OG 3.37Å; D443-L446 HydrophobicContact CB-CD1 4.37Å; D443-L446 HydrophobicContact CB-CG 4.39Å; D443-L446 WeakPolarHBondContact O-CB 3.16Å; D443-L446 PolarHBondContact O-N 3.48Å
444	K	71	Confident	73.8	Confident	159 Å²	159	113.1 Å²	113.1	69%	0.691	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-19.1	-179.6	-66.6	-177.4	178.8	-179.4	0	113.3	F442 L446	F442-K444 PolarHBondContact O-N 2.67Å; K444-L446 VanDerWaalsContact C-N 3.31Å
445	S	75.1	Confident	73.6	Confident	90 Å²	90	114 Å²	114	63%	0.629	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-15.8	174.7	64.8	0	0	0	0	113.8	D443	D443-S445 PolarHBondContact O-N 2.86Å; D443-S445 VanDerWaalsContact O-N 3.08Å; D443-S445 WeakPolarHBondContact OD1-CB 3.4Å; D443-S445 PolarHBondContact OD1-N 3.29Å; D443-S445 PolarHBondContact OD1-OG 2.84Å; D443-S445 PolarHBondContact OD2-OG 3.37Å
446	L	75	Confident	73.5	Confident	97 Å²	97	110.3 Å²	110.3	51%	0.508	62%	0.617	S	S	.	*	S	Bend	trans	-91.6	123	175.1	-70.9	178.6	0	0	0	110.4	D443 K444	D443-L446 HydrophobicContact CB-CD1 4.37Å; D443-L446 HydrophobicContact CB-CG 4.39Å; D443-L446 WeakPolarHBondContact O-CB 3.16Å; D443-L446 PolarHBondContact O-N 3.48Å; K444-L446 VanDerWaalsContact C-N 3.31Å
447	P	80.9	Confident	73.2	Confident	67 Å²	67	110.4 Å²	110.4	44%	0.435	62%	0.615	S	S	.	*			trans	-67.7	149.5	179.4	28.1	-33.9	0	0	0	110.5	S449 T450	P447-S449 PolarHBondContact O-N 3.04Å; P447-T450 HydrophobicContact CG-CG2 3.9Å; P447-T450 PolarHBondContact O-N 3.26Å; P447-T450 PolarHBondContact O-OG1 3.34Å
448	P	75.9	Confident	73.1	Confident	148 Å²	148	110.5 Å²	110.5	96%	0.961	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-14.9	-177.1	-27.7	35.4	0	0	0	115.7	T450	P448-T450 VanDerWaalsContact C-N 3.34Å
449	S	73	Confident	72.7	Confident	98 Å²	98	116 Å²	116	69%	0.685	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-0.7	174.9	52.2	0	0	0	0	115.1	P447 P451	P447-S449 PolarHBondContact O-N 3.04Å; S449-P451 WeakPolarHBondContact O-CD 3.19Å
450	T	74.7	Confident	72.4	Confident	63 Å²	63	116 Å²	116	39%	0.387	64%	0.644	S	S	.	*			trans	-100.1	90.2	179.5	49.2	0	0	0	0	112.3	P447 P448 V452	P447-T450 HydrophobicContact CG-CG2 3.9Å; P447-T450 PolarHBondContact O-N 3.26Å; P447-T450 PolarHBondContact O-OG1 3.34Å; P448-T450 VanDerWaalsContact C-N 3.34Å; T450-V452 PolarHBondContact O-N 2.83Å
451	P	72.1	Confident	71.8	Confident	119 Å²	119	118.1 Å²	118.1	77%	0.773	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-68.4	118.3	176.8	28.3	-35	0	0	0	110.6	S449 K453	S449-P451 WeakPolarHBondContact O-CD 3.19Å; P451-K453 PolarHBondContact O-N 2.65Å; P451-K453 VanDerWaalsContact O-N 3.13Å
452	V	71.8	Confident	71	Confident	78 Å²	78	116.5 Å²	116.5	47%	0.473	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-52.8	120.3	169.1	-178.3	0	0	0	0	108.6	T450 R454	T450-V452 PolarHBondContact O-N 2.83Å; V452-R454 PolarHBondContact O-N 3.12Å
453	K	70.1	Confident	69.7	Low	182 Å²	182	115 Å²	115	79%	0.791	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-52.4	133.1	-178.4	-73.2	-178.2	179.5	175.7	0	109.4	P451 G455 G456	P451-K453 PolarHBondContact O-N 2.65Å; P451-K453 VanDerWaalsContact O-N 3.13Å; K453-G455 PolarHBondContact O-N 2.96Å; K453-G456 PolarHBondContact O-N 3.05Å
454	R	69.2	Low	68.6	Low	207 Å²	207	119.4 Å²	119.4	78%	0.781	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	92.2	-173.8	-168.6	-176	-163.3	169.9	7.7	111.4	V452	V452-R454 PolarHBondContact O-N 3.12Å
455	G	79.2	Confident	67.2	Low	80 Å²	80	116.9 Å²	116.9	83%	0.825	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	126.3	-16.1	-174	0	0	0	0	0	113.7	K453 T457	K453-G455 PolarHBondContact O-N 2.96Å; G455-T457 PolarHBondContact O-N 2.7Å
456	G	76.5	Confident	66.2	Low	42 Å²	42	118.9 Å²	118.9	43%	0.433	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-74.5	122.4	172.4	0	0	0	0	0	111.4	K453	K453-G456 PolarHBondContact O-N 3.05Å
457	T	69.9	Low	65.1	Low	129 Å²	129	120.1 Å²	120.1	79%	0.791	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-70.3	136.4	167	42.9	0	0	0	0	110.3	G455	G455-T457 PolarHBondContact O-N 2.7Å
458	P	71	Confident	63.5	Low	95 Å²	95	120.4 Å²	120.4	62%	0.617	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-63.4	138.8	173.4	27.7	-34	0	0	0	110.4	V460	P458-V460 PolarHBondContact O-N 3.3Å
459	L	65.1	Low	62	Low	160 Å²	160	120.1 Å²	120.1	84%	0.838	70%	0.702	S	S	*	*			trans	-69.5	112.7	-174.8	-171	72	0	0	0	110.8	K461	L459-K461 PolarHBondContact O-N 2.64Å
460	V	67.1	Low	60.8	Low	115 Å²	115	123.3 Å²	123.3	70%	0.697	71%	0.706	S	S	*	*			trans	-82.6	97.5	-178.2	-173.6	0	0	0	0	109.9	P458 L462	P458-V460 PolarHBondContact O-N 3.3Å; V460-L462 HydrophobicContact CG1-CG 4.26Å; V460-L462 PolarHBondContact O-N 3.25Å
461	K	59.6	Low	59.1	Low	175 Å²	175	125 Å²	125	76%	0.761	72%	0.72	S	S	*	*			trans	-69.3	110.6	170.6	-70.5	-178.6	176.6	176.8	0	110.1	L459	L459-K461 PolarHBondContact O-N 2.64Å
462	L	53.1	Low	57.9	Low	155 Å²	155	126.6 Å²	126.6	81%	0.812	72%	0.721	S	S	*	*			trans	-104.9	115	174.1	-78.5	166.2	0	0	0	110.2	V460	V460-L462 HydrophobicContact CG1-CG 4.26Å; V460-L462 PolarHBondContact O-N 3.25Å
463	S	41.4	Very low	56.3	Low	87 Å²	87	131.2 Å²	131.2	61%	0.608	74%	0.738	S	S	*	*			trans	-176	132.9	160.6	33.4	0	0	0	0	112.3
464	H	49.9	Very low	55.1	Low	161 Å²	161	128.5 Å²	128.5	75%	0.745	74%	0.736	S	S	*	*			trans	-163.3	160.5	160	-92.3	-59.7	0	0	0	110.1
465	S	41.3	Very low	53.8	Low	107 Å²	107	126 Å²	126	75%	0.748	74%	0.738	S	S	*	*			trans	66.2	75.8	175.1	64.6	0	0	0	0	119.7
466	T	53.4	Low	52.1	Low	131 Å²	131	126.3 Å²	126.3	80%	0.804	73%	0.728	S	S	*	*				3.6	155.5	114.7	16	0	0	0	0	120
467	P	52.9	Low	50.6	Low	123 Å²	123	130 Å²	130	80%	0.799	74%	0.741	S	S	*	*				-118.7	-155.1	62.2	31.5	-13	0	0	0	112.9
468	A	47	Very low	49.2	Very low	74 Å²	74	130 Å²	130	61%	0.612	74%	0.741	S	S	*	*			cis	-154.1	-134	12.7	0	0	0	0	0	114.8	H470	A468-H470 PolarHBondContact O-CE1 3.01Å; A468-H470 VanDerWaalsContact O-CE1 3.25Å; A468-H470 PolarHBondContact O-ND1 3.19Å
469	N	43.8	Very low	47.5	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	75%	0.747	S	S	*	*			trans	-77.7	122.8	-165.8	-62.8	-13.7	0	0	0	113.7
470	H	47.7	Very low	46.2	Very low	166 Å²	166	134.6 Å²	134.6	77%	0.769	74%	0.742	S	S	*	*				75.4	131.2	66.1	-49.3	-7.8	0	0	0	112.2	A468	A468-H470 PolarHBondContact O-CE1 3.01Å; A468-H470 VanDerWaalsContact O-CE1 3.25Å; A468-H470 PolarHBondContact O-ND1 3.19Å
471	S	38.9	Very low	44.7	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	75%	0.746	S	S	*	*			cis	-142.9	141.4	15.7	-177	0	0	0	0	108.7
472	L	46.8	Very low	43.6	Very low	152 Å²	152	130.9 Å²	130.9	80%	0.796	75%	0.749	S	S	*	*				52.3	137.8	69.6	-56.5	177.6	0	0	0	113.5
473	Q	38.9	Very low	42.9	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	75%	0.748	S	S	*	*			cis	-138.1	172.4	31.7	-66.4	178.8	10.4	0	0	115.6
474	V	44.8	Very low	42.9	Very low	125 Å²	125	130.1 Å²	130.1	76%	0.758	75%	0.749	S	S	*	*			trans	-122.6	155.1	174.6	172.4	0	0	0	0	107.9
475	N	42.5	Very low	42.2	Very low	154 Å²	154	132 Å²	132	82%	0.824	76%	0.755	S	S	*	*			trans	169.8	162.5	144.2	-87.6	-21.4	0	0	0	113.2
476	S	42.6	Very low	41.9	Very low	87 Å²	87	130.6 Å²	130.6	61%	0.608	75%	0.75	S	S	*	*			cis	178.4	115.5	-30.8	177.1	0	0	0	0	112.1
477	V	45.7	Very low	40.8	Very low	118 Å²	118	127.6 Å²	127.6	72%	0.715	74%	0.735	S	S	*	*			trans	59.2	171.8	136.8	-169.7	0	0	0	0	119.8
478	V	39.8	Very low	40.2	Very low	131 Å²	131	127.7 Å²	127.7	79%	0.794	72%	0.722	S	S	*	*			trans	86.6	138.1	167.5	-172.2	0	0	0	0	115.7
479	W	36	Very low	39.5	Very low	194 Å²	194	129.8 Å²	129.8	74%	0.735	72%	0.723	S	S	*	*			cis	173.9	147.5	-44.1	-108.5	35.9	0	0	0	107.4
480	H	37.8	Very low	39.1	Very low	157 Å²	157	125.4 Å²	125.4	73%	0.727	70%	0.703	S	S	*	*			trans	67.1	158.7	164.1	-66.7	-11.5	0	0	0	116.4
481	S	34.6	Very low	38.5	Very low	114 Å²	114	123 Å²	123	80%	0.797	69%	0.692	S	S	*	*			cis	-159.9	175.5	-3.4	27.9	0	0	0	0	110.6
482	A	37.1	Very low	38.5	Very low	98 Å²	98	122.6 Å²	122.6	81%	0.81	68%	0.682	S	S	*	*			trans	120.6	111.9	156.5	0	0	0	0	0	116.6
483	T	39	Very low	37.8	Very low	130 Å²	130	120 Å²	120	80%	0.798	68%	0.677	S	S	*	*			trans	-60.6	175	154.5	44.3	0	0	0	0	112.4
484	P	40.8	Very low	37.4	Very low	96 Å²	96	117.7 Å²	117.7	62%	0.623	67%	0.666	S	S	*	*			cis	-143.3	-170.2	24.3	24.8	3.9	0	0	0	117.6
485	F	35.8	Very low	36.7	Very low	199 Å²	199	117.8 Å²	117.8	87%	0.873	66%	0.661	S	S	*	*			trans	68.6	158.8	168.6	-53.8	-76.3	0	0	0	118.6
486	A	33.7	Very low	36.1	Very low	79 Å²	79	113.6 Å²	113.6	65%	0.653	64%	0.644	S	S	*	*			cis	-163	119.1	-43.2	0	0	0	0	0	113
487	S	31.6	Very low	35.5	Very low	68 Å²	68	111.4 Å²	111.4	48%	0.476	63%	0.631	S	S	.	*			trans	55.5	110.1	157.2	54.9	0	0	0	0	122.9
488	K	39	Very low	34.7	Very low	124 Å²	124	110.1 Å²	110.1	54%	0.539	62%	0.616	S	S	.	*			trans	-179.8	111.9	147.4	-109.1	-174.5	-179.6	-57.8	0	117.7	A497 F498	K488-A497 HydrophobicContact CB-CB 4.15Å; K488-A497 HydrophobicContact CD-CB 4.06Å; K488-A497 HydrophobicContact CG-CB 4.26Å; K488-A497 PolarHBondContact NZ-O 2.79Å; K488-F498 VanDerWaalsContact CA-CD1 3.42Å; K488-F498 WeakPolarHBondContact CG-O 3.49Å; K488-F498 PolarHBondContact NZ-O 2.89Å
489	L	33	Very low	34.3	Very low	119 Å²	119	106.7 Å²	106.7	62%	0.623	60%	0.598	S	S	*	*			trans	-152.8	78.8	167.9	-71.3	-179.7	0	0	0	119.9	F498	L489-F498 VanDerWaalsContact C-CD2 3.48Å; L489-F498 HydrophobicContact CB-CD2 4.04Å; L489-F498 HydrophobicContact CB-CE2 4.11Å; L489-F498 WeakPolarHBondContact O-CD2 3.5Å
490	S	34.8	Very low	34.1	Very low	49 Å²	49	104.9 Å²	104.9	34%	0.343	60%	0.595	S	S	.	*			trans	168.2	142	168.2	-83.2	0	0	0	0	109.5	S496 A497 F498	S490-S496 CarbonylContact C-O 3.28Å; S490-S496 WeakPolarHBondContact CA-O 3.17Å; S490-S496 PolarHBondContact N-O 3.19Å; S490-A497 VanDerWaalsContact N-CA 3.26Å; S490-A497 CarbonylContact O-C 3.51Å; S490-A497 WeakPolarHBondContact O-CA 3.33Å; S490-A497 PolarHBondContact O-N 2.83Å; S490-A497 VanDerWaalsContact O-O 3.11Å; S490-F498 VanDerWaalsContact N-CB 3.34Å; S490-F498 WeakPolarHBondContact O-CA 3.49Å; S490-F498 PolarHBondContact O-N 2.83Å
491	E	34.7	Very low	33.9	Very low	114 Å²	114	102.5 Å²	102.5	53%	0.533	59%	0.592	S	S	.	*			cis	-154.4	166.5	-4.4	-106.5	149.2	-126.6	0	0	109.9	S496 R722	E491-S496 CarbonylContact C-O 3.57Å; E491-S496 WeakPolarHBondContact CA-O 3.26Å; E491-S496 PolarHBondContact N-O 2.86Å; E491-R722 IonicContact OE2-CZ 2.63Å; E491-R722 IonicContact OE2-NH1 3.75Å; E491-R722 IonicContact OE2-NH2 2.87Å; E491-R722 PolarHBondContact OE2-NH2 3.44Å
492	L	38.9	Very low	33.9	Very low	91 Å²	91	102.5 Å²	102.5	48%	0.476	59%	0.588	S	S	.	*	S	Bend	trans	103.5	103.5	168.3	-59.7	167.4	0	0	0	115	R722	L492-R722 HydrophobicContact CD1-CB 4.28Å; L492-R722 HydrophobicContact CD1-CG 3.75Å; L492-R722 HydrophobicContact CD2-CG 3.98Å; L492-R722 HydrophobicContact CG-CG 4.48Å
493	S	33.4	Very low	33.6	Very low	99 Å²	99	102.1 Å²	102.1	69%	0.692	58%	0.578	S	S	*	*	S	Bend	cis	-138.9	122.3	-3.9	-76.4	0	0	0	0	109.2
494	Q	30.7	Very low	33.8	Very low	126 Å²	126	104.6 Å²	104.6	59%	0.589	58%	0.58	S	S	*	*	S	Bend	trans	65.4	118.3	-146.1	-48.5	-169.8	65	0	0	112.8	S750 G751	Q494-S750 PolarHBondContact NE2-O 2.91Å; Q494-G751 VanDerWaalsContact CD-O 3.24Å; Q494-G751 PolarHBondContact NE2-O 3.4Å; Q494-G751 PolarHBondContact OE1-O 2.84Å; Q494-G751 VanDerWaalsContact OE1-O 3.04Å
495	L	29.7	Very low	33.3	Very low	126 Å²	126	104.7 Å²	104.7	66%	0.66	58%	0.583	S	S	*	*	S	Bend	trans	64.6	142.9	169	-59.9	166.6	0	0	0	119.6	T753	L495-T753 WeakPolarHBondContact CD1-O 3.44Å
496	S	29.2	Very low	33.5	Very low	66 Å²	66	100.2 Å²	100.2	46%	0.462	57%	0.574	S	S	.	*			trans	62.2	167.9	171.6	86.7	0	0	0	0	116	S490 E491	S490-S496 CarbonylContact C-O 3.28Å; S490-S496 WeakPolarHBondContact CA-O 3.17Å; S490-S496 PolarHBondContact N-O 3.19Å; E491-S496 CarbonylContact C-O 3.57Å; E491-S496 WeakPolarHBondContact CA-O 3.26Å; E491-S496 PolarHBondContact N-O 2.86Å
497	A	29.4	Very low	33.3	Very low	41 Å²	41	103.7 Å²	103.7	34%	0.339	58%	0.582	S	S	.	*			cis	-143	95	-9.5	0	0	0	0	0	113.7	K488 S490	K488-A497 HydrophobicContact CB-CB 4.15Å; K488-A497 HydrophobicContact CD-CB 4.06Å; K488-A497 HydrophobicContact CG-CB 4.26Å; K488-A497 PolarHBondContact NZ-O 2.79Å; S490-A497 VanDerWaalsContact N-CA 3.26Å; S490-A497 CarbonylContact O-C 3.51Å; S490-A497 WeakPolarHBondContact O-CA 3.33Å; S490-A497 PolarHBondContact O-N 2.83Å; S490-A497 VanDerWaalsContact O-O 3.11Å
498	F	30.5	Very low	33.2	Very low	91 Å²	91	109.9 Å²	109.9	40%	0.399	60%	0.596	S	S	.	*			trans	-77.5	-168.1	-151.5	66.8	23.4	0	0	0	121.5	K488 L489 S490	K488-F498 VanDerWaalsContact CA-CD1 3.42Å; K488-F498 WeakPolarHBondContact CG-O 3.49Å; K488-F498 PolarHBondContact NZ-O 2.89Å; L489-F498 VanDerWaalsContact C-CD2 3.48Å; L489-F498 HydrophobicContact CB-CD2 4.04Å; L489-F498 HydrophobicContact CB-CE2 4.11Å; L489-F498 WeakPolarHBondContact O-CD2 3.5Å; S490-F498 VanDerWaalsContact N-CB 3.34Å; S490-F498 WeakPolarHBondContact O-CA 3.49Å; S490-F498 PolarHBondContact O-N 2.83Å
499	S	29.9	Very low	32.7	Very low	59 Å²	59	111 Å²	111	41%	0.413	61%	0.608	S	S	.	*			trans	76.4	157.2	159.6	73.2	0	0	0	0	113.8
500	K	32.7	Very low	32.8	Very low	156 Å²	156	111.2 Å²	111.2	68%	0.678	61%	0.614	S	S	*	*			cis	-131.9	126.5	27.2	-94.3	-176.6	-177.7	169.6	0	113.3
501	T	34.5	Very low	32.8	Very low	108 Å²	108	114 Å²	114	66%	0.663	63%	0.629	S	S	*	*				70.8	-176.3	107.3	71.9	0	0	0	0	111.1
502	T	34	Very low	32.9	Very low	114 Å²	114	112.6 Å²	112.6	70%	0.699	63%	0.625	S	S	*	*			cis	-147.3	122.8	45.9	-73.3	0	0	0	0	106.3
503	C	31.3	Very low	32.9	Very low	90 Å²	90	111 Å²	111	61%	0.608	62%	0.617	S	S	*	*				58.6	141.5	110	-48.4	0	0	0	0	112.6
504	E	41.4	Very low	33.2	Very low	182 Å²	182	113.5 Å²	113.5	85%	0.85	61%	0.612	S	S	*	*			cis	-137.1	146.5	43.9	-79.1	169.6	144.2	0	0	111.4
505	S	31	Very low	33.6	Very low	97 Å²	97	110.8 Å²	110.8	68%	0.678	60%	0.603	S	S	*	*				80.3	149.6	54.9	-58.6	0	0	0	0	112.4
506	P	39.5	Very low	34.1	Very low	106 Å²	106	109.2 Å²	109.2	69%	0.688	60%	0.603	S	S	*	*			trans	-115.8	174.9	-132.9	41.8	-36.9	0	0	0	115.2
507	N	30.9	Very low	34.6	Very low	151 Å²	151	110.6 Å²	110.6	81%	0.807	62%	0.618	S	S	*	*				-160.2	167.8	125.9	-124.6	-53.6	0	0	0	116.5
508	Y	27.9	Very low	35.1	Very low	198 Å²	198	114.6 Å²	114.6	78%	0.776	64%	0.638	S	S	*	*			trans	-94.6	149.9	177.3	-67.4	-104.5	0	0	0	112.1
509	N	29.8	Very low	35.4	Very low	149 Å²	149	117.9 Å²	117.9	80%	0.797	66%	0.658	S	S	*	*				175.8	116.3	124.2	-90.6	-36	0	0	0	110.7
510	V	35.2	Very low	35.7	Very low	123 Å²	123	120.7 Å²	120.7	75%	0.745	68%	0.678	S	S	*	*				74.8	107.8	90.4	167.5	0	0	0	0	112.6
511	T	35.3	Very low	35.9	Very low	106 Å²	106	120.7 Å²	120.7	65%	0.65	69%	0.685	S	S	*	*			cis	-131.2	-88.5	0.4	18.5	0	0	0	0	115.4
512	N	36.8	Very low	36.3	Very low	85 Å²	85	121 Å²	121	46%	0.455	69%	0.688	S	S	.	*			cis	-165.2	176.2	-23	-139.9	-13	0	0	0	107.5	V1425 R1426	N512-V1425 CarbonylContact O-C 3.3Å; N512-V1425 WeakPolarHBondContact O-CB 3.04Å; N512-R1426 PolarHBondContact O-N 2.92Å
513	N	38.5	Very low	36.6	Very low	59 Å²	59	121.2 Å²	121.2	32%	0.316	69%	0.691	S	S	.	*			cis	-161.4	54.1	-1.2	-152.3	-0.5	0	0	0	116	V1425 R1426	N513-V1425 PolarHBondContact N-O 3.39Å; N513-R1426 CarbonylContact C-O 3.04Å; N513-R1426 VanDerWaalsContact CA-O 3.31Å; N513-R1426 WeakPolarHBondContact CA-O 3.48Å; N513-R1426 PolarHBondContact N-O 3.11Å
514	R	39.1	Very low	37	Very low	151 Å²	151	122.8 Å²	122.8	57%	0.57	70%	0.699	S	S	*	*			trans	90.2	134.9	154.7	-41.4	150.4	-151.4	-177.5	8.8	122.3	V1425 R1426 K1427 L1428	R514-V1425 PolarHBondContact N-O 2.91Å; R514-R1426 PolarHBondContact N-O 2.81Å; R514-K1427 CarbonylContact O-C 2.81Å; R514-L1428 HydrophobicContact CB-CG 4.32Å; R514-L1428 WeakPolarHBondContact O-CA 3.34Å; R514-L1428 PolarHBondContact O-N 2.8Å
515	V	39.7	Very low	37	Very low	68 Å²	68	119 Å²	119	41%	0.412	69%	0.689	S	S	.	*			trans	63.8	129.2	139	168.4	0	0	0	0	121.4	K1427 L1428 L1429	V515-K1427 VanDerWaalsContact O-O 3.13Å; V515-L1428 HydrophobicContact CB-CD2 3.94Å; V515-L1428 HydrophobicContact CG1-CD2 3.95Å; V515-L1428 WeakPolarHBondContact O-CA 3.34Å; V515-L1429 HydrophobicContact CG1-CD1 3.77Å; V515-L1429 HydrophobicContact CG1-CD2 4.41Å; V515-L1429 HydrophobicContact CG1-CG 3.82Å; V515-L1429 PolarHBondContact O-N 2.87Å
516	S	39.1	Very low	37.1	Very low	94 Å²	94	118.5 Å²	118.5	66%	0.657	68%	0.68	S	S	*	*			cis	-176	168.9	3.6	-102.6	0	0	0	0	115.6
517	A	40.8	Very low	36.8	Very low	95 Å²	95	118.6 Å²	118.6	79%	0.785	68%	0.678	S	S	*	*			trans	81.2	146.2	150.5	0	0	0	0	0	120.2
518	V	38.7	Very low	36.9	Very low	124 Å²	124	118 Å²	118	75%	0.752	68%	0.675	S	S	*	*			cis	-156.8	134.9	-10.7	120	0	0	0	0	112.8
519	I	38.5	Very low	37.4	Very low	161 Å²	161	116.1 Å²	116.1	83%	0.826	68%	0.677	S	S	*	*			trans	55.6	140.4	154.4	-58	171.4	0	0	0	120
520	S	34.3	Very low	37.6	Very low	117 Å²	117	115 Å²	115	82%	0.818	67%	0.671	S	S	*	*			trans	-130.1	-174.3	-159.5	53.2	0	0	0	0	116
521	L	38.7	Very low	37.5	Very low	157 Å²	157	115 Å²	115	82%	0.822	67%	0.667	S	S	*	*			trans	-75.2	165.2	-170.1	-63.8	156.2	0	0	0	115.7
522	P	41.2	Very low	37.3	Very low	113 Å²	113	114.5 Å²	114.5	73%	0.734	67%	0.668	S	S	*	*			trans	-88.2	-173.2	154.2	42.3	-37	0	0	0	110.7
523	P	42.2	Very low	37.3	Very low	119 Å²	119	117.1 Å²	117.1	77%	0.773	68%	0.681	S	S	*	*			cis	-129.8	-158.4	-2.8	39.1	-18.3	0	0	0	114.6
524	T	38.7	Very low	37.1	Very low	124 Å²	124	119.1 Å²	119.1	76%	0.761	70%	0.699	S	S	*	*			trans	-61.5	-179.2	174.3	51.7	0	0	0	0	116.4
525	P	40.4	Very low	36.9	Very low	101 Å²	101	117.4 Å²	117.4	66%	0.656	71%	0.706	S	S	*	*			cis	-137.9	-160	0.9	28	-1.1	0	0	0	115.5
526	D	33.4	Very low	36.5	Very low	88 Å²	88	120.9 Å²	120.9	47%	0.471	72%	0.722	S	S	.	*			trans	97.4	115.1	142.5	-68	-17.3	0	0	0	124.5	R68	R68-D526 IonicContact CZ-OD2 2.63Å; R68-D526 IonicContact NH1-OD2 2.66Å; R68-D526 PolarHBondContact NH1-OD2 3.11Å
527	T	33.6	Very low	36.2	Very low	107 Å²	107	121.4 Å²	121.4	66%	0.656	72%	0.716	S	S	*	*			trans	74.1	140.8	133.5	59.4	0	0	0	0	123.8
528	N	33.5	Very low	35.7	Very low	140 Å²	140	121.6 Å²	121.6	75%	0.749	71%	0.712	S	S	*	*			trans	71.5	146.5	157.6	-55.4	-15.5	0	0	0	116.9
529	L	37.3	Very low	35.3	Very low	157 Å²	157	120.5 Å²	120.5	82%	0.822	71%	0.709	S	S	*	*			cis	-131.9	169.9	28.9	-82.1	162.9	0	0	0	116.1
530	L	34.9	Very low	34.9	Very low	125 Å²	125	117.8 Å²	117.8	65%	0.654	70%	0.7	S	S	*	*			trans	-102.1	163.4	-178.3	-74.6	158.4	0	0	0	113.1
531	N	32.7	Very low	34.9	Very low	125 Å²	125	117 Å²	117	67%	0.668	68%	0.683	S	S	*	*			trans	55.6	167.9	150.7	-52	-7.1	0	0	0	117.8
532	S	31.6	Very low	34.8	Very low	95 Å²	95	112.9 Å²	112.9	66%	0.664	66%	0.659	S	S	*	*			cis	-139.6	157.1	5	-53	0	0	0	0	108.3
533	L	36	Very low	34.5	Very low	140 Å²	140	109 Å²	109	73%	0.733	64%	0.635	S	S	*	*				-179.9	138.2	77.8	-88.7	163.9	0	0	0	105.9
534	S	35.9	Very low	34.3	Very low	100 Å²	100	106 Å²	106	70%	0.699	61%	0.61	S	S	*	*			cis	67.6	135.7	25.4	-46	0	0	0	0	114.5
535	T	34.9	Very low	34.3	Very low	115 Å²	115	102.3 Å²	102.3	71%	0.706	59%	0.592	S	S	*	*			cis	-158.9	-160.2	-16.8	-70.7	0	0	0	0	104.4
536	D	29.8	Very low	34.2	Very low	142 Å²	142	102.7 Å²	102.7	76%	0.759	59%	0.593	S	S	*	*			trans	87.2	133.8	170.9	-41.5	-26.5	0	0	0	112.6
537	I	33.1	Very low	34.4	Very low	104 Å²	104	106.4 Å²	106.4	53%	0.533	61%	0.611	S	S	.	*			cis	-132.3	145.5	20.5	-74.7	178.8	0	0	0	112.9	I1721	I537-I1721 HydrophobicContact CD1-CB 4.24Å; I537-I1721 HydrophobicContact CD1-CD1 3.76Å; I537-I1721 HydrophobicContact CD1-CG1 3.65Å; I537-I1721 HydrophobicContact CD1-CG2 3.77Å; I537-I1721 HydrophobicContact CG1-CD1 4.44Å
538	S	29.6	Very low	34.7	Very low	99 Å²	99	106.7 Å²	106.7	69%	0.692	62%	0.615	S	S	*	*			trans	1.8	166.7	141.1	98.8	0	0	0	0	121.7
539	C	31.2	Very low	34.9	Very low	102 Å²	102	105.8 Å²	105.8	69%	0.689	62%	0.615	S	S	*	*			cis	-162.8	175.7	-0.8	-136.5	0	0	0	0	113.6
540	T	31	Very low	34.8	Very low	104 Å²	104	103.7 Å²	103.7	64%	0.638	61%	0.608	S	S	*	*			trans	55	124.5	146.3	53.7	0	0	0	0	122.3
541	H	33.4	Very low	34.8	Very low	100 Å²	100	100.7 Å²	100.7	46%	0.463	60%	0.598	S	S	.	*				93	96.8	120.5	-74.1	-148	0	0	0	123	R1120	H541-R1120 PolarHBondContact O-NE 2.9Å; H541-R1120 PolarHBondContact O-NH2 2.98Å
542	E	35.9	Very low	34.8	Very low	70 Å²	70	97.3 Å²	97.3	33%	0.327	59%	0.587	S	S	.	*				83.2	166.9	112.4	-66.5	164.8	139.9	0	0	122	R1120 H1121	E542-R1120 HydrophobicContact CB-CB 4.06Å; E542-R1120 HydrophobicContact CB-CG 3.22Å; E542-R1120 HydrophobicContact CG-CG 4.19Å; E542-R1120 PolarHBondContact O-NE 2.76Å; E542-R1120 PolarHBondContact O-NH2 2.74Å; E542-R1120 WeakPolarHBondContact OE1-CA 3Å; E542-R1120 VanDerWaalsContact OE2-CA 3.3Å; E542-R1120 WeakPolarHBondContact OE2-CA 3.14Å; E542-R1120 WeakPolarHBondContact OE2-CG 3.41Å; E542-H1121 PolarHBondContact OE1-N 3.12Å; E542-H1121 PolarHBondContact OE2-N 3.33Å
543	S	36.5	Very low	34.9	Very low	31 Å²	31	95 Å²	95	22%	0.217	57%	0.574	C	S	.	*				173.5	0	-59.2	58.2	0	0	0	0	119.1	V1118 K1119 R1120	S543-V1118 VanDerWaalsContact C-C 3.4Å; S543-V1118 VanDerWaalsContact CB-N 3.25Å; S543-K1119 WeakPolarHBondContact O-CA 3.45Å; S543-K1119 WeakPolarHBondContact O-CB 3.23Å; S543-K1119 WeakPolarHBondContact O-CE 3.43Å; S543-K1119 WeakPolarHBondContact O-CG 3.47Å; S543-K1119 WeakPolarHBondContact OG-CA 3.3Å; S543-K1119 PolarHBondContact OG-N 2.95Å; S543-K1119 PolarHBondContact OG-O 2.65Å; S543-R1120 PolarHBondContact OG-N 3.16Å
544	F	36.2	Very low	34.7	Very low	57 Å²	57	99.1 Å²	99.1	25%	0.25	58%	0.581	C	S	.	*	B	Isolated β-bridge		0	94.3	0	-128.1	-23.8	0	0	0	125	N125 K126 E127 V1118 K1119	N125-F544 WeakPolarHBondContact O-CE1 3.24Å; N125-F544 WeakPolarHBondContact O-CZ 3.39Å; K126-F544 HydrophobicContact CB-CD1 3.77Å; K126-F544 HydrophobicContact CB-CD2 4.4Å; K126-F544 HydrophobicContact CB-CE1 4.03Å; K126-F544 HydrophobicContact CB-CG 4.03Å; K126-F544 HydrophobicContact CB-CZ 4.46Å; K126-F544 VanDerWaalsContact CD-O 3.25Å; K126-F544 WeakPolarHBondContact CD-O 3.42Å; K126-F544 WeakPolarHBondContact CE-O 3.22Å; K126-F544 HydrophobicContact CG-CB 3.75Å; K126-F544 HydrophobicContact CG-CD1 3.56Å; K126-F544 HydrophobicContact CG-CD2 4.05Å; K126-F544 HydrophobicContact CG-CE1 4.32Å; K126-F544 HydrophobicContact CG-CG 3.45Å; K126-F544 VanDerWaalsContact CG-CG 3.45Å; K126-F544 WeakPolarHBondContact CG-O 3.5Å; K126-F544 PolarHBondContact NZ-O 3.21Å; E127-F544 WeakPolarHBondContact O-CB 3.5Å; E127-F544 WeakPolarHBondContact O-CD2 3.27Å; F544-V1118 VanDerWaalsContact C-CA 3.47Å; F544-V1118 CarbonylContact C-O 3.51Å; F544-V1118 VanDerWaalsContact CA-CB 3.41Å; F544-V1118 HydrophobicContact CB-CG1 4.41Å; F544-V1118 WeakPolarHBondContact O-CG1 3.14Å; F544-K1119 VanDerWaalsContact CA-CB 3.42Å; F544-K1119 HydrophobicContact CB-CB 3.39Å; F544-K1119 HydrophobicContact CB-CD 4.22Å; F544-K1119 HydrophobicContact CB-CG 4.22Å; F544-K1119 HydrophobicContact CD1-CB 3.4Å; F544-K1119 VanDerWaalsContact CD1-CB 3.4Å; F544-K1119 HydrophobicContact CD2-CB 3.33Å; F544-K1119 HydrophobicContact CD2-CD 3.22Å; F544-K1119 HydrophobicContact CD2-CG 3.66Å; F544-K1119 HydrophobicContact CE1-CB 3.81Å; F544-K1119 HydrophobicContact CE2-CB 3.78Å; F544-K1119 HydrophobicContact CE2-CD 3.62Å; F544-K1119 HydrophobicContact CE2-CG 4Å; F544-K1119 HydrophobicContact CG-CB 3.1Å; F544-K1119 HydrophobicContact CG-CD 3.95Å; F544-K1119 HydrophobicContact CG-CG 3.96Å; F544-K1119 HydrophobicContact CZ-CB 3.98Å; F544-K1119 VanDerWaalsContact N-N 3.13Å
545	A	38.8	Very low	34.5	Very low	47 Å²	47	99.2 Å²	99.2	39%	0.388	58%	0.582	S	S	.	*			trans	27.6	-159.9	158.5	0	0	0	0	0	127.6	K126 V1118	K126-A545 HydrophobicContact CB-CB 4.33Å; K126-A545 HydrophobicContact CD-CB 4.28Å; K126-A545 HydrophobicContact CG-CB 4.27Å; K126-A545 PolarHBondContact NZ-O 2.9Å; A545-V1118 PolarHBondContact N-O 3.4Å
546	T	38.7	Very low	34.5	Very low	108 Å²	108	98.2 Å²	98.2	66%	0.663	59%	0.585	S	S	*	*			trans	81.3	121.2	169.5	58.7	0	0	0	0	125.5	K126	K126-T546 HydrophobicContact CB-CG2 4.1Å; K126-T546 HydrophobicContact CD-CG2 3.35Å; K126-T546 VanDerWaalsContact CD-OG1 3.27Å; K126-T546 WeakPolarHBondContact CD-OG1 3.47Å; K126-T546 HydrophobicContact CG-CG2 4.33Å; K126-T546 PolarHBondContact NZ-OG1 3.22Å
547	L	37.4	Very low	34.7	Very low	166 Å²	166	95 Å²	95	87%	0.869	57%	0.572	S	S	*	*			trans	-93.3	-154.9	161	-61.8	161.4	0	0	0	110.4
548	P	41.4	Very low	34.7	Very low	114 Å²	114	97 Å²	97	74%	0.74	58%	0.583	S	S	*	*			cis	-135.3	-162.5	-16.6	24.7	1.7	0	0	0	115
549	V	36.3	Very low	35	Very low	121 Å²	121	96.6 Å²	96.6	73%	0.733	57%	0.569	S	S	*	*			trans	123.6	99.6	142.9	-179.1	0	0	0	0	118.8
550	T	36.7	Very low	35.4	Very low	112 Å²	112	98.5 Å²	98.5	69%	0.687	57%	0.565	S	S	*	*			trans	45.5	118.4	143.4	69	0	0	0	0	124.8
551	S	33.7	Very low	35.8	Very low	63 Å²	63	98.9 Å²	98.9	44%	0.441	57%	0.572	S	S	.	*				72.6	119.2	125.2	70.1	0	0	0	0	124.6	N2134	S551-N2134 VanDerWaalsContact CB-OD1 3.27Å; S551-N2134 WeakPolarHBondContact CB-OD1 3.18Å; S551-N2134 VanDerWaalsContact O-CG 3.31Å; S551-N2134 PolarHBondContact O-ND2 2.66Å; S551-N2134 PolarHBondContact O-OD1 3.01Å; S551-N2134 PolarHBondContact OG-ND2 2.97Å; S551-N2134 PolarHBondContact OG-OD1 2.93Å
552	A	33.6	Very low	36.4	Very low	53 Å²	53	101.1 Å²	101.1	44%	0.438	58%	0.58	S	S	.	*				75.8	161.4	120.2	0	0	0	0	0	124.2	N2134 N2135	A552-N2134 WeakPolarHBondContact O-CA 3.31Å; A552-N2134 PolarHBondContact O-N 3.03Å; A552-N2135 WeakPolarHBondContact CB-OD1 3.4Å
553	A	32.2	Very low	36.8	Very low	47 Å²	47	104.9 Å²	104.9	39%	0.388	60%	0.601	S	S	.	*			trans	55.2	110.3	179.5	0	0	0	0	0	121.2	N2134	A553-N2134 WeakPolarHBondContact CB-O 3.32Å
554	Y	32.5	Very low	37	Very low	226 Å²	226	108.7 Å²	108.7	89%	0.886	62%	0.619	S	S	*	*				43.4	146	108.6	-92.9	-83.6	0	0	0	123.3
555	S	31.1	Very low	37.2	Very low	102 Å²	102	115.9 Å²	115.9	71%	0.713	65%	0.645	S	S	*	*			trans	85.4	72.9	146.5	-64.3	0	0	0	0	121.4
556	A	34.9	Very low	37.4	Very low	94 Å²	94	120.9 Å²	120.9	78%	0.777	66%	0.658	S	S	*	*				76.7	161.9	116.8	0	0	0	0	0	120.3
557	P	35.3	Very low	37.5	Very low	74 Å²	74	122.3 Å²	122.3	48%	0.481	66%	0.661	S	S	.	*			trans	-120.1	147.2	-155.3	40	-28	0	0	0	117.2	T1222	P557-T1222 PolarHBondContact O-OG1 3.48Å
558	I	32.6	Very low	37.8	Very low	148 Å²	148	120.4 Å²	120.4	76%	0.759	65%	0.651	S	S	*	*			trans	-97.9	153.4	161.8	-56.3	-173.7	0	0	0	109.8	L1221	I558-L1221 HydrophobicContact CD1-CD1 3.9Å; I558-L1221 HydrophobicContact CG1-CD1 4.06Å
559	K	35.8	Very low	37.8	Very low	90 Å²	90	121 Å²	121	39%	0.391	64%	0.642	S	S	.	*			trans	-164.8	145.3	-141.4	-153.5	168.5	-174.8	175.5	0	112.5	T1222 V1224	K559-T1222 HydrophobicContact CB-CG2 4.08Å; K559-T1222 WeakPolarHBondContact CB-OG1 3.06Å; K559-T1222 WeakPolarHBondContact CD-OG1 3.13Å; K559-T1222 PolarHBondContact NZ-O 3.19Å; K559-V1224 HydrophobicContact CD-CB 4.31Å; K559-V1224 HydrophobicContact CD-CG2 3.8Å; K559-V1224 HydrophobicContact CG-CG2 4.25Å
560	K	38.8	Very low	37.9	Very low	141 Å²	141	120.3 Å²	120.3	61%	0.613	63%	0.626	S	S	*	*			trans	80.9	153.1	-177.9	-41.7	139.1	-161.2	161.3	0	111	V1224	K560-V1224 HydrophobicContact CD-CG2 4.46Å; K560-V1224 HydrophobicContact CG-CG2 4.41Å
561	S	40.1	Very low	37.9	Very low	113 Å²	113	120.8 Å²	120.8	79%	0.79	62%	0.621	S	S	*	*			cis	-119.1	161.4	18.8	40.9	0	0	0	0	116.1
562	K	46.1	Very low	38	Very low	146 Å²	146	121.7 Å²	121.7	64%	0.635	63%	0.627	S	S	*	*			cis	91.7	96.5	11.8	169.8	-114.9	171.4	-164.9	0	117.2
563	I	44.4	Very low	38.4	Very low	150 Å²	150	125.8 Å²	125.8	77%	0.769	64%	0.64	S	S	*	*			trans	176.7	157.1	140.8	-96.8	150	0	0	0	110.7
564	N	41.4	Very low	38.7	Very low	111 Å²	111	127.6 Å²	127.6	59%	0.594	66%	0.655	S	S	*	*			cis	-171.7	160.6	-40.3	-156.7	2.6	0	0	0	112.7
565	R	39.2	Very low	38.9	Very low	208 Å²	208	125.1 Å²	125.1	79%	0.785	65%	0.649	S	S	*	*			trans	68.5	165	154.8	-81.1	162.4	179.4	174	-1.9	118
566	K	44.4	Very low	39.5	Very low	152 Å²	152	126.7 Å²	126.7	66%	0.661	65%	0.649	S	S	*	*			cis	-152.8	-173.1	11.4	-141.9	173.6	-177.1	-173.8	0	114.8
567	N	40.1	Very low	39.8	Very low	138 Å²	138	128.2 Å²	128.2	74%	0.738	64%	0.64	S	S	*	*			trans	93.6	-178.3	161.1	-63.1	0.3	0	0	0	120.2
568	L	44.4	Very low	40.2	Very low	125 Å²	125	132 Å²	132	65%	0.654	65%	0.649	S	S	*	*			trans	-125.8	171.3	-143.1	-62	-174.7	0	0	0	113.6
569	K	41.2	Very low	40.6	Very low	126 Å²	126	130 Å²	130	55%	0.548	64%	0.643	S	S	.	*			cis	96.8	99.5	15	160.2	-95.3	143.8	-169.3	0	117.6
570	R	37.2	Very low	40.8	Very low	107 Å²	107	127.7 Å²	127.7	40%	0.404	64%	0.639	S	S	.	*			trans	-178.2	161.8	147.7	-99.6	170.4	177.7	103.7	20.6	109.3	S618 F619 D620	R570-S618 PolarHBondContact NH2-O 3.39Å; R570-F619 VanDerWaalsContact NE-N 3.18Å; R570-F619 PolarHBondContact NH1-O 2.94Å; R570-F619 VanDerWaalsContact NH1-O 3.14Å; R570-F619 PolarHBondContact NH2-O 3.07Å; R570-D620 VanDerWaalsContact NH1-N 3.16Å; R570-D620 PolarHBondContact NH1-O 3.42Å; R570-D620 VanDerWaalsContact NH1-O 3.16Å
571	H	36.4	Very low	41.1	Very low	123 Å²	123	128.9 Å²	128.9	57%	0.569	64%	0.644	S	S	*	*			cis	-107.6	-141	-25.7	-107	-66.8	0	0	0	108.4	S618	H571-S618 WeakPolarHBondContact NE2-CA 3.37Å; H571-S618 PolarHBondContact NE2-N 3Å; H571-S618 PolarHBondContact NE2-O 2.91Å
572	S	36.4	Very low	40.9	Very low	82 Å²	82	127.8 Å²	127.8	57%	0.573	63%	0.633	S	S	*	*			cis	62.7	158.2	7.5	71.1	0	0	0	0	117.2
573	I	41.8	Very low	40.7	Very low	138 Å²	138	126.8 Å²	126.8	71%	0.708	64%	0.641	S	S	*	*			cis	-131.9	150.9	12.6	-75.6	175.3	0	0	0	108.7	F575	I573-F575 HydrophobicContact CG2-CD2 4.13Å
574	A	38.1	Very low	40.3	Very low	86 Å²	86	125.1 Å²	125.1	71%	0.711	64%	0.643	S	S	*	*			cis	99.2	152.8	12.6	0	0	0	0	0	116.8
575	F	38.4	Very low	39.9	Very low	174 Å²	174	126.9 Å²	126.9	76%	0.763	65%	0.652	S	S	*	*			trans	172.2	109.9	150.6	-111.6	-108.5	0	0	0	108.7	I573	I573-F575 HydrophobicContact CG2-CD2 4.13Å
576	L	42.3	Very low	39.6	Very low	134 Å²	134	128 Å²	128	70%	0.702	66%	0.656	S	S	*	*				72.3	138	101	-87.9	75.9	0	0	0	115.5
577	E	41.3	Very low	39.2	Very low	127 Å²	127	126.9 Å²	126.9	59%	0.593	66%	0.661	S	S	*	*			cis	-143.4	-118.2	-11.6	-158	-161	110	0	0	110.4
578	K	43.4	Very low	39.4	Very low	154 Å²	154	126.1 Å²	126.1	67%	0.67	66%	0.664	S	S	*	*			cis	-144.5	-143.1	-9.8	-161.5	93.9	-149	159.8	0	109.9
579	T	40.5	Very low	39.4	Very low	104 Å²	104	125.3 Å²	125.3	64%	0.638	67%	0.666	S	S	*	*			trans	-158.5	174.1	-163.5	59.2	0	0	0	0	115.6
580	S	40.1	Very low	39.2	Very low	43 Å²	43	125.1 Å²	125.1	30%	0.301	68%	0.676	S	S	.	*			cis	173.2	170.8	-40.7	78.4	0	0	0	0	112.5	R608	S580-R608 PolarHBondContact OG-NE 2.82Å; S580-R608 PolarHBondContact OG-NH2 2.78Å
581	K	45.2	Very low	39.4	Very low	165 Å²	165	125.3 Å²	125.3	72%	0.717	69%	0.693	S	S	*	*			trans	108.4	147.6	-173.1	-64.3	169.8	-175.8	179.3	0	110.8
582	T	36.7	Very low	39.7	Very low	90 Å²	90	124.8 Å²	124.8	55%	0.552	70%	0.701	S	S	*	*			cis	67.3	139.5	40.5	47	0	0	0	0	116.1
583	P	41.8	Very low	40	Very low	125 Å²	125	127.3 Å²	127.3	81%	0.812	71%	0.713	S	S	*	*			cis	-143	-154.3	-6.4	42.1	-20	0	0	0	115.6
584	S	35.7	Very low	39.8	Very low	115 Å²	115	125.4 Å²	125.4	80%	0.804	71%	0.711	S	S	*	*			trans	89.7	-175.7	153.1	-139.6	0	0	0	0	123
585	L	33	Very low	39.9	Very low	149 Å²	149	126.3 Å²	126.3	78%	0.78	71%	0.709	S	S	*	*			trans	-138.2	168.8	-146.2	-89.6	159.6	0	0	0	116
586	R	32.8	Very low	39.9	Very low	230 Å²	230	126.9 Å²	126.9	87%	0.868	71%	0.711	S	S	*	*			trans	82.5	119.7	159.1	-79.4	176.9	172.9	167.5	-4.2	121.6
587	V	37.4	Very low	40.1	Very low	129 Å²	129	128.4 Å²	128.4	78%	0.782	71%	0.714	S	S	*	*				41.4	123.2	113.2	-179.8	0	0	0	0	117.4
588	P	43.2	Very low	40.3	Very low	123 Å²	123	131.2 Å²	131.2	80%	0.799	73%	0.725	S	S	*	*				-143	179.4	77	33.2	-11.6	0	0	0	116.8
589	P	43.6	Very low	40.4	Very low	108 Å²	108	128 Å²	128	70%	0.701	71%	0.714	S	S	*	*			trans	-107.2	177.9	-171	40.5	-34.1	0	0	0	116.8
590	T	37.2	Very low	40.8	Very low	122 Å²	122	129.2 Å²	129.2	75%	0.748	71%	0.711	S	S	*	*			trans	66.9	92.3	155	40	0	0	0	0	121.8
591	S	43.2	Very low	41.2	Very low	110 Å²	110	131.2 Å²	131.2	77%	0.769	71%	0.714	S	S	*	*				64.4	164.5	120.5	65.5	0	0	0	0	121.6
592	P	41.7	Very low	41.2	Very low	113 Å²	113	128.7 Å²	128.7	73%	0.734	71%	0.705	S	S	*	*			cis	-132	-166.1	-5.5	29.4	-4.7	0	0	0	115
593	V	42	Very low	41.5	Very low	135 Å²	135	126.5 Å²	126.5	82%	0.818	69%	0.694	S	S	*	*			trans	80.7	114.3	156.4	-174.1	0	0	0	0	121.9
594	S	38.1	Very low	41.5	Very low	97 Å²	97	127 Å²	127	68%	0.678	69%	0.694	S	S	*	*			trans	82.2	134.6	142.3	-155	0	0	0	0	125.7
595	T	39.6	Very low	42.2	Very low	106 Å²	106	127 Å²	127	65%	0.65	69%	0.686	S	S	*	*			trans	69.7	94	147.7	35.1	0	0	0	0	124.6
596	K	38.3	Very low	43.1	Very low	186 Å²	186	124.6 Å²	124.6	81%	0.809	67%	0.67	S	S	*	*				80.6	119.3	122.3	-74.7	175.6	-175.4	167.6	0	122.7
597	Q	46.7	Very low	44	Very low	165 Å²	165	120.6 Å²	120.6	77%	0.771	66%	0.661	S	S	*	*			trans	88.4	91.7	144.4	-63.5	-155.4	39.5	0	0	123
598	K	47	Very low	44.7	Very low	187 Å²	187	119.2 Å²	119.2	81%	0.813	64%	0.642	S	S	*	*				57.3	103	125.3	-69.3	178.3	176.2	171.2	0	119.6
599	D	44.6	Very low	45	Very low	85 Å²	85	117.4 Å²	117.4	46%	0.455	64%	0.637	S	S	.	*			trans	-115.9	-175.9	160	-152.9	-8.2	0	0	0	113.4	K414 T415	K414-D599 VanDerWaalsContact CA-OD1 3.23Å; K414-D599 WeakPolarHBondContact CA-OD1 3.31Å; K414-D599 WeakPolarHBondContact CB-OD1 3.43Å; K414-D599 WeakPolarHBondContact CB-OD2 3.31Å; K414-D599 WeakPolarHBondContact CD-OD2 3.46Å; K414-D599 WeakPolarHBondContact CG-OD2 3.29Å; K414-D599 PolarHBondContact N-OD1 2.84Å; T415-D599 PolarHBondContact N-OD1 2.95Å; T415-D599 PolarHBondContact N-OD2 2.94Å
600	K	48.2	Very low	45.5	Very low	130 Å²	130	118.7 Å²	118.7	57%	0.565	63%	0.632	S	S	*	*			trans	-158.9	167.2	-159.6	-147.3	176.2	-175.3	171	0	109.4	G413 K414 T415	G413-K600 WeakPolarHBondContact O-CB 3.35Å; G413-K600 WeakPolarHBondContact O-CD 3.06Å; K414-K600 CarbonylContact C-O 3.44Å; K414-K600 VanDerWaalsContact O-O 3.06Å; T415-K600 WeakPolarHBondContact CA-O 3.14Å; T415-K600 PolarHBondContact N-O 2.83Å
601	K	49.4	Very low	46	Very low	86 Å²	86	120.9 Å²	120.9	37%	0.374	63%	0.628	S	S	.	*			trans	63.8	148.9	151.5	-86.1	164	158	-101.4	0	120.8	G413 T415 Y416	G413-K601 WeakPolarHBondContact O-CD 3.27Å; T415-K601 VanDerWaalsContact CA-O 3.27Å; T415-K601 WeakPolarHBondContact CA-O 2.9Å; Y416-K601 WeakPolarHBondContact CD2-O 3.42Å; Y416-K601 PolarHBondContact N-O 2.88Å
602	Q	45.9	Very low	46.1	Very low	111 Å²	111	122.5 Å²	122.5	52%	0.519	62%	0.623	S	S	.	*			trans	36.5	102.5	139.9	-60.2	173.2	-99.1	0	0	119.4
603	S	41.1	Very low	46.6	Very low	45 Å²	45	122.7 Å²	122.7	32%	0.315	61%	0.614	S	S	.	*				94.3	155.7	55.7	68.3	0	0	0	0	115.1	Y416	Y416-S603 VanDerWaalsContact CZ-CA 3.5Å; Y416-S603 WeakPolarHBondContact OH-CB 3.42Å
604	T	41.9	Very low	46.7	Very low	135 Å²	135	124.3 Å²	124.3	83%	0.828	61%	0.61	S	S	*	*			trans	83.2	129.5	173.7	75.9	0	0	0	0	116.7
605	N	51.1	Low	46.5	Very low	116 Å²	116	131 Å²	131	62%	0.62	62%	0.62	S	S	*	*			trans	-140.5	154.2	141.2	-167.7	-65	0	0	0	106.4	R1238	N605-R1238 PolarHBondContact O-NE 3.33Å; N605-R1238 PolarHBondContact O-NH1 2.86Å; N605-R1238 VanDerWaalsContact O-NH1 3.12Å; N605-R1238 PolarHBondContact O-NH2 2.86Å
606	E	52.8	Low	46.3	Very low	98 Å²	98	129.5 Å²	129.5	46%	0.458	62%	0.619	S	S	.	*			trans	-72.7	-179	-169.6	-56.9	175.1	82.2	0	0	114.8	R1238	E606-R1238 PolarHBondContact O-NH2 2.65Å
607	Q	50.1	Low	46.4	Very low	146 Å²	146	128.9 Å²	128.9	68%	0.682	62%	0.619	S	S	*	*				-166.4	109.6	111.3	-93.4	-179.5	11.1	0	0	104.3
608	R	53.1	Low	45.5	Very low	99 Å²	99	124 Å²	124	37%	0.374	60%	0.603	S	S	.	*				83.7	140.7	56.2	-173.8	-170.4	-177.1	-134.6	5.1	111	S580	S580-R608 PolarHBondContact OG-NE 2.82Å; S580-R608 PolarHBondContact OG-NH2 2.78Å
609	A	49.9	Very low	44.9	Very low	85 Å²	85	122.2 Å²	122.2	70%	0.702	60%	0.596	S	S	*	*			trans	85.7	136	166.8	0	0	0	0	0	117.6
610	K	54.2	Low	44.4	Very low	135 Å²	135	122.8 Å²	122.8	59%	0.587	60%	0.599	S	S	*	*			cis	-172.5	177.5	-22.6	-133.1	176.1	160.7	-155.4	0	110.5
611	Y	46.6	Very low	43.8	Very low	168 Å²	168	122.3 Å²	122.3	66%	0.659	61%	0.607	S	S	*	*			trans	69.3	138.6	161.8	-59.7	-54.2	0	0	0	116.8
612	Q	46	Very low	43.3	Very low	144 Å²	144	124.6 Å²	124.6	67%	0.673	62%	0.623	S	S	*	*			cis	-162.3	165.7	-15.1	-129	160.6	-34.9	0	0	106.1
613	E	52.5	Low	42.8	Very low	118 Å²	118	125.3 Å²	125.3	55%	0.551	63%	0.631	S	S	*	*			cis	-147.6	-166.8	1.2	-170.2	143.4	154.9	0	0	110.1
614	K	43.5	Very low	42.8	Very low	169 Å²	169	128.8 Å²	128.8	74%	0.735	65%	0.646	S	S	*	*			trans	-38.4	165.3	159.2	-47.3	151	-171.4	154.1	0	112.6
615	R	34.1	Very low	42.4	Very low	236 Å²	236	130.6 Å²	130.6	89%	0.891	64%	0.642	S	S	*	*			cis	-157.1	170.6	10.5	-145	173.3	-176.5	175.3	-1.3	107.3
616	A	35.9	Very low	41.6	Very low	75 Å²	75	129.6 Å²	129.6	62%	0.62	64%	0.64	S	S	*	*			trans	62.5	149.6	-180	0	0	0	0	0	115
617	Q	41	Very low	40.8	Very low	173 Å²	173	134.6 Å²	134.6	81%	0.808	66%	0.656	S	S	*	*			cis	80.3	151.7	28.9	-64.3	173.5	-67.4	0	0	116.3
618	S	27.4	Very low	40.1	Very low	62 Å²	62	133.1 Å²	133.1	43%	0.434	65%	0.653	S	S	.	*			trans	71.9	139.2	139.2	68.1	0	0	0	0	122.2	R570 H571	R570-S618 PolarHBondContact NH2-O 3.39Å; H571-S618 WeakPolarHBondContact NE2-CA 3.37Å; H571-S618 PolarHBondContact NE2-N 3Å; H571-S618 PolarHBondContact NE2-O 2.91Å
619	F	33.8	Very low	39.4	Very low	150 Å²	150	133.9 Å²	133.9	66%	0.658	67%	0.665	S	S	*	*				65	139	118.7	-77.5	-121.1	0	0	0	124.3	R570	R570-F619 VanDerWaalsContact NE-N 3.18Å; R570-F619 PolarHBondContact NH1-O 2.94Å; R570-F619 VanDerWaalsContact NH1-O 3.14Å; R570-F619 PolarHBondContact NH2-O 3.07Å
620	D	34.7	Very low	38.7	Very low	98 Å²	98	133.7 Å²	133.7	52%	0.524	65%	0.652	S	S	.	*			trans	78.3	144.2	146.3	-57.8	-14	0	0	0	122.8	R570	R570-D620 VanDerWaalsContact NH1-N 3.16Å; R570-D620 PolarHBondContact NH1-O 3.42Å; R570-D620 VanDerWaalsContact NH1-O 3.16Å
621	T	35.2	Very low	37.7	Very low	120 Å²	120	133.9 Å²	133.9	74%	0.736	66%	0.659	S	S	*	*			trans	59	157	133.7	55.4	0	0	0	0	121.4
622	N	39.1	Very low	37.2	Very low	133 Å²	133	134.1 Å²	134.1	71%	0.711	66%	0.66	S	S	*	*			cis	-155.9	-171	-35.7	-160	-3.3	0	0	0	107.6
623	N	35.5	Very low	36.7	Very low	127 Å²	127	133.5 Å²	133.5	68%	0.679	66%	0.662	S	S	*	*			trans	-44.8	133.7	159.6	-61.4	-35.6	0	0	0	112.6
624	N	39.7	Very low	35.8	Very low	117 Å²	117	136.1 Å²	136.1	63%	0.626	67%	0.671	S	S	*	*				-169.3	148.2	104.6	-89.3	-28.1	0	0	0	108.7
625	K	34.9	Very low	35.3	Very low	173 Å²	173	134.7 Å²	134.7	75%	0.752	67%	0.671	S	S	*	*			cis	103	140.6	30.7	-162.3	-177.2	-175.9	-174.3	0	109.5
626	T	33.9	Very low	35.4	Very low	95 Å²	95	133 Å²	133	58%	0.583	67%	0.666	S	S	*	*			trans	64.6	137.5	162.8	30.6	0	0	0	0	121.6
627	Y	35.8	Very low	35.2	Very low	203 Å²	203	133.3 Å²	133.3	80%	0.796	66%	0.664	S	S	*	*			trans	63.5	147.9	139.8	-66.6	-41.1	0	0	0	121.4
628	N	36.4	Very low	34.8	Very low	116 Å²	116	131 Å²	131	62%	0.62	67%	0.666	S	S	*	*			cis	-149.2	-175.8	-17.1	-144.9	-2.3	0	0	0	111.8
629	N	36.7	Very low	35.1	Very low	115 Å²	115	131.7 Å²	131.7	62%	0.615	68%	0.676	S	S	*	*			trans	19.8	148.7	140.8	-68.4	-1.6	0	0	0	121.3
630	N	34.9	Very low	34.9	Very low	80 Å²	80	128.5 Å²	128.5	43%	0.428	67%	0.672	S	S	.	*			cis	-166.4	146.3	-19.9	-109.4	-11.7	0	0	0	110.7	Y632	N630-Y632 HydrophobicContact CB-CD2 4.07Å; N630-Y632 HydrophobicContact CB-CE2 3.38Å; N630-Y632 VanDerWaalsContact O-CD2 3.26Å; N630-Y632 WeakPolarHBondContact O-CD2 3.36Å; N630-Y632 PolarHBondContact O-N 3.04Å
631	N	35.2	Very low	34.9	Very low	139 Å²	139	134.1 Å²	134.1	74%	0.743	69%	0.688	S	S	*	*			trans	45.7	-55.4	143.4	-54.6	-18.5	0	0	0	123.9
632	Y	36	Very low	34.8	Very low	174 Å²	174	133.1 Å²	133.1	68%	0.682	69%	0.685	S	S	*	*			trans	-93.6	167.4	-134.9	-45.6	-79.5	0	0	0	117.4	N630	N630-Y632 HydrophobicContact CB-CD2 4.07Å; N630-Y632 HydrophobicContact CB-CE2 3.38Å; N630-Y632 VanDerWaalsContact O-CD2 3.26Å; N630-Y632 WeakPolarHBondContact O-CD2 3.36Å; N630-Y632 PolarHBondContact O-N 3.04Å
633	N	34.4	Very low	34.6	Very low	131 Å²	131	133 Å²	133	70%	0.701	68%	0.684	S	S	*	*				-170.3	160.3	-53.5	-150.9	-11.8	0	0	0	109.9
634	K	34	Very low	34.8	Very low	172 Å²	172	132.6 Å²	132.6	75%	0.748	69%	0.689	S	S	*	*			trans	59.3	173.1	154.6	-80.4	-174.7	174.4	-175.9	0	120.7
635	L	33	Very low	34.5	Very low	140 Å²	140	133.2 Å²	133.2	73%	0.733	69%	0.692	S	S	*	*			trans	74.3	125.9	164.1	-43.4	-175.3	0	0	0	117.2
636	Y	35.1	Very low	34.5	Very low	200 Å²	200	133 Å²	133	78%	0.784	70%	0.697	S	S	*	*			cis	-155.5	129.9	-12	-127.3	-155.3	0	0	0	105.5
637	S	32.3	Very low	34.7	Very low	82 Å²	82	133.4 Å²	133.4	57%	0.573	70%	0.7	S	S	*	*				90.3	150.9	76	-69.1	0	0	0	0	113.9
638	S	32.4	Very low	34.8	Very low	124 Å²	124	132 Å²	132	87%	0.867	70%	0.698	S	S	*	*			trans	59.8	141.2	167.6	42.6	0	0	0	0	117.4
639	A	33.5	Very low	35	Very low	77 Å²	77	134.2 Å²	134.2	64%	0.636	70%	0.704	S	S	*	*			cis	-136.8	142.2	-0.1	0	0	0	0	0	107.2
640	S	30.8	Very low	34.9	Very low	83 Å²	83	138 Å²	138	58%	0.58	71%	0.712	S	S	*	*				44.1	133.3	76.9	63.6	0	0	0	0	113.2
641	Y	33.9	Very low	35	Very low	215 Å²	215	142.1 Å²	142.1	84%	0.843	73%	0.726	S	S	*	*			cis	-143.5	176.6	29.5	-66.9	-94.5	0	0	0	109.8
642	S	34.3	Very low	35.1	Very low	99 Å²	99	143.2 Å²	143.2	69%	0.692	73%	0.726	S	S	*	*			cis	-159.5	152.2	-19.6	43.9	0	0	0	0	106.3
643	L	34.9	Very low	35.1	Very low	131 Å²	131	143.8 Å²	143.8	69%	0.686	73%	0.727	S	S	*	*				40.1	129.8	78.9	-71.8	167	0	0	0	113.5
644	P	39.2	Very low	35.2	Very low	119 Å²	119	143.5 Å²	143.5	77%	0.773	72%	0.716	S	S	*	*				-112.9	139.8	58.1	1.4	20.8	0	0	0	113.9
645	N	33.8	Very low	35.2	Very low	130 Å²	130	143.3 Å²	143.3	70%	0.695	71%	0.711	S	S	*	*				55.5	88.4	86.2	-72.5	-17.8	0	0	0	114.8	T647	N645-T647 PolarHBondContact O-N 3.39Å
646	I	34.8	Very low	35.1	Very low	167 Å²	167	140.4 Å²	140.4	86%	0.856	70%	0.699	S	S	*	*			trans	-66.9	107.4	142	-65.9	176.8	0	0	0	106.6
647	T	36.4	Very low	35	Very low	104 Å²	104	133.7 Å²	133.7	64%	0.638	68%	0.681	S	S	*	*			trans	7.4	129	156.6	46.1	0	0	0	0	119.6	N645	N645-T647 PolarHBondContact O-N 3.39Å
648	K	39.5	Very low	34.9	Very low	175 Å²	175	131.4 Å²	131.4	76%	0.761	67%	0.665	S	S	*	*			trans	81.5	113.7	147.3	-62.7	-175.7	178	-175	0	115.9
649	E	39.6	Very low	34.9	Very low	162 Å²	162	129.2 Å²	129.2	76%	0.757	65%	0.646	S	S	*	*				73.5	140.6	72.8	-74.7	-176.5	111	0	0	113.2
650	Y	35.6	Very low	35.2	Very low	195 Å²	195	130.5 Å²	130.5	77%	0.765	65%	0.648	S	S	*	*			cis	-154.4	175.4	-26.1	-158.5	-98.9	0	0	0	108	Q652	Y650-Q652 PolarHBondContact O-N 3.29Å
651	K	35.2	Very low	35.7	Very low	166 Å²	166	132.2 Å²	132.2	72%	0.722	66%	0.658	S	S	*	*			trans	-69.3	126.2	172	-59.4	166.7	-177	167	0	110.9
652	Q	39	Very low	35.4	Very low	162 Å²	162	127.5 Å²	127.5	76%	0.757	65%	0.651	S	S	*	*				175.5	132.6	120.3	-90.8	152.9	-2.6	0	0	109.2	Y650	Y650-Q652 PolarHBondContact O-N 3.29Å
653	R	34.7	Very low	35.3	Very low	186 Å²	186	128.9 Å²	128.9	70%	0.702	65%	0.651	S	S	*	*				74.9	111.8	53.5	-150	-160.6	-162.4	-161.3	7.5	112.3
654	R	36.9	Very low	35.2	Very low	125 Å²	125	129.7 Å²	129.7	47%	0.472	66%	0.655	S	S	.	*			trans	74.8	109.8	172.6	-48.5	-164.8	-179.6	166.9	-1.5	113.9	K1162 T1163	R654-K1162 WeakPolarHBondContact CD-O 3.34Å; R654-K1162 PolarHBondContact NH1-O 3.37Å; R654-T1163 PolarHBondContact NH1-O 2.75Å
655	R	33.8	Very low	35	Very low	168 Å²	168	128.8 Å²	128.8	63%	0.634	65%	0.648	S	S	*	*				100.1	95.4	80.3	-86.9	178.2	162.4	-165.1	-3.1	112.5	L1160 L1161	R655-L1160 VanDerWaalsContact CD-O 3.29Å; R655-L1160 WeakPolarHBondContact CD-O 3.37Å; R655-L1161 WeakPolarHBondContact CD-O 3.47Å; R655-L1161 PolarHBondContact NH1-O 2.95Å; R655-L1161 PolarHBondContact O-N 2.85Å
656	T	31.8	Very low	35.3	Very low	78 Å²	78	130.4 Å²	130.4	48%	0.479	65%	0.651	S	S	.	*			trans	68.7	-176.1	141.7	81.6	0	0	0	0	119.9	K1159 L1160 L1161	T656-K1159 WeakPolarHBondContact CB-O 3.46Å; T656-K1159 WeakPolarHBondContact CG2-O 3.31Å; T656-L1160 WeakPolarHBondContact OG1-CA 3.5Å; T656-L1160 PolarHBondContact OG1-N 3.02Å; T656-L1161 PolarHBondContact OG1-N 2.84Å
657	S	31.6	Very low	35.5	Very low	60 Å²	60	127.8 Å²	127.8	42%	0.42	64%	0.643	S	S	.	*			trans	83.8	158	160.8	63.4	0	0	0	0	117	V1157 R1158	S657-V1157 VanDerWaalsContact O-CG2 3.25Å; S657-V1157 WeakPolarHBondContact O-CG2 3.49Å; S657-R1158 WeakPolarHBondContact CA-O 3.23Å; S657-R1158 PolarHBondContact N-O 3.38Å
658	S	31.1	Very low	35.8	Very low	33 Å²	33	131.6 Å²	131.6	23%	0.231	65%	0.654	C	S	.	*			trans	-120.2	160.3	-150.1	62.3	0	0	0	0	114.9	R1158	S658-R1158 VanDerWaalsContact CB-CB 3.43Å; S658-R1158 WeakPolarHBondContact OG-CB 3.15Å; S658-R1158 WeakPolarHBondContact OG-CD 3.44Å; S658-R1158 PolarHBondContact OG-NH2 2.8Å
659	V	31.9	Very low	35.8	Very low	78 Å²	78	127.2 Å²	127.2	47%	0.473	65%	0.65	S	S	.	*				-1.8	135.4	130	175.1	0	0	0	0	115.3	T1155 V1157 R1158	V659-T1155 HydrophobicContact CG2-CG2 4.25Å; V659-V1157 HydrophobicContact CG2-CG1 4.11Å; V659-R1158 PolarHBondContact O-NH2 2.98Å
660	P	40	Very low	36	Very low	104 Å²	104	125.8 Å²	125.8	68%	0.675	65%	0.652	S	S	*	*			cis	-84	-132.4	-3.7	41.5	-38.7	0	0	0	109.4
661	P	40.5	Very low	36.5	Very low	120 Å²	120	122.4 Å²	122.4	78%	0.779	65%	0.651	S	S	*	*			cis	-96	171	2.7	40.5	-36.2	0	0	0	114.5
662	T	29.3	Very low	37.2	Very low	115 Å²	115	119.8 Å²	119.8	71%	0.706	65%	0.651	S	S	*	*			trans	-107.1	165.2	147	47.2	0	0	0	0	108.5
663	N	30.9	Very low	37.5	Very low	129 Å²	129	119.7 Å²	119.7	69%	0.69	65%	0.651	S	S	*	*				153.6	138.6	124.3	-87.2	3.2	0	0	0	115.5
664	L	33.4	Very low	37.8	Very low	147 Å²	147	118.3 Å²	118.3	77%	0.77	65%	0.654	S	S	*	*			trans	62.4	153.2	144.8	-57.3	164.9	0	0	0	117.6
665	T	35.2	Very low	38	Very low	101 Å²	101	116.6 Å²	116.6	62%	0.62	66%	0.662	S	S	*	*			cis	-142	157.5	-6.1	-5	0	0	0	0	107.6
666	E	41	Very low	38.1	Very low	163 Å²	163	115.9 Å²	115.9	76%	0.762	67%	0.67	S	S	*	*				145.6	140	82	-112	142.6	-117.8	0	0	103.2
667	T	38.4	Very low	38.3	Very low	113 Å²	113	116.5 Å²	116.5	69%	0.693	68%	0.677	S	S	*	*			cis	-158.9	171.7	-13.9	-34.7	0	0	0	0	108.5
668	E	41.7	Very low	38.5	Very low	184 Å²	184	118.9 Å²	118.9	86%	0.86	69%	0.694	S	S	*	*			trans	71.5	135.8	160	-67.9	172.8	-168.7	0	0	119.1
669	A	41.1	Very low	38.8	Very low	82 Å²	82	122.8 Å²	122.8	68%	0.678	72%	0.716	S	S	*	*			cis	-161.9	148.5	-9.5	0	0	0	0	0	113.3
670	V	43.6	Very low	39.1	Very low	133 Å²	133	128.9 Å²	128.9	81%	0.806	73%	0.731	S	S	*	*			trans	65.3	136.7	145.9	169.2	0	0	0	0	120.1
671	T	45.3	Very low	39.2	Very low	123 Å²	123	130.2 Å²	130.2	76%	0.755	73%	0.726	S	S	*	*			cis	-161.1	-172.4	-28.5	46.4	0	0	0	0	107.8
672	P	49.2	Very low	39.2	Very low	111 Å²	111	131.7 Å²	131.7	72%	0.721	72%	0.722	S	S	*	*				-131.6	-179	-86.1	41.5	-22.8	0	0	0	117.7
673	E	46	Very low	39.7	Very low	160 Å²	160	131.6 Å²	131.6	75%	0.748	73%	0.726	S	S	*	*			trans	72.1	161.6	168.6	-76.7	-57	95.4	0	0	118.2
674	M	41.3	Very low	39.9	Very low	157 Å²	157	128.6 Å²	128.6	77%	0.773	73%	0.725	S	S	*	*			cis	-143	-178.3	8.8	-137.7	-162.2	-173.3	0	0	109.3
675	S	41.1	Very low	40.2	Very low	89 Å²	89	129.4 Å²	129.4	62%	0.622	73%	0.73	S	S	*	*			cis	-160.7	-162.8	10.7	-157	0	0	0	0	113.5
676	L	36.5	Very low	40.3	Very low	154 Å²	154	131.8 Å²	131.8	81%	0.806	74%	0.744	S	S	*	*			trans	-103.1	163.2	-171.2	-64.1	175.2	0	0	0	113.2
677	S	35.6	Very low	40.1	Very low	91 Å²	91	127.2 Å²	127.2	64%	0.636	74%	0.741	S	S	*	*			cis	-171.2	173.1	-19.2	58.9	0	0	0	0	111
678	S	35	Very low	39.9	Very low	110 Å²	110	128 Å²	128	77%	0.769	75%	0.745	S	S	*	*			trans	68.1	149.4	149.3	-81.7	0	0	0	0	120.8
679	V	38.8	Very low	39.6	Very low	115 Å²	115	129.6 Å²	129.6	70%	0.697	74%	0.744	S	S	*	*			cis	-156.3	151.1	-19.4	96.2	0	0	0	0	111.9
680	R	36.2	Very low	39.3	Very low	206 Å²	206	134.2 Å²	134.2	78%	0.777	75%	0.748	S	S	*	*			trans	13.7	152.8	139.1	-73.2	173.6	172	170.3	-2	120.1
681	K	42.2	Very low	38.8	Very low	132 Å²	132	133.9 Å²	133.9	57%	0.574	74%	0.741	S	S	*	*			cis	-171.5	161.6	25.2	-128.9	167.6	-178.5	-77.6	0	112.2
682	E	42.2	Very low	38.3	Very low	151 Å²	151	134.2 Å²	134.2	71%	0.706	74%	0.738	S	S	*	*			trans	38.2	149.9	138	-78.4	151.8	-146.9	0	0	123
683	S	38.5	Very low	37.6	Very low	113 Å²	113	138 Å²	138	79%	0.79	74%	0.743	S	S	*	*			cis	-170	-178.5	-1.7	56.4	0	0	0	0	112.1
684	G	36.2	Very low	37	Very low	65 Å²	65	136.8 Å²	136.8	67%	0.67	75%	0.747	S	S	*	*			trans	79.8	92.5	157.3	0	0	0	0	0	116.7
685	L	38.6	Very low	36.7	Very low	165 Å²	165	134.3 Å²	134.3	86%	0.864	74%	0.742	S	S	*	*				71.3	138.9	60.5	-69.8	174.7	0	0	0	117.2
686	T	37.7	Very low	36.3	Very low	150 Å²	150	139.4 Å²	139.4	92%	0.92	75%	0.753	S	S	*	*			trans	71.6	142.5	-179.4	76.2	0	0	0	0	115.8
687	G	36.5	Very low	36	Very low	68 Å²	68	137.5 Å²	137.5	70%	0.701	75%	0.753	S	S	*	*			cis	-175	133.3	-9.3	0	0	0	0	0	115.5
688	V	35.3	Very low	35.7	Very low	129 Å²	129	138.5 Å²	138.5	78%	0.782	76%	0.755	S	S	*	*			trans	62.4	89	150.2	-168.2	0	0	0	0	118.4
689	R	35.3	Very low	35.5	Very low	217 Å²	217	141.2 Å²	141.2	82%	0.819	76%	0.755	S	S	*	*			trans	62	126.2	130.1	-65.3	178.8	173.7	168.9	-2.1	120.9
690	K	35.2	Very low	35.5	Very low	179 Å²	179	140.9 Å²	140.9	78%	0.778	75%	0.754	S	S	*	*			trans	71.3	130.7	130.7	-72.1	-170.2	174.9	-163.9	0	117
691	L	32.5	Very low	35.6	Very low	126 Å²	126	136.8 Å²	136.8	66%	0.66	75%	0.754	S	S	*	*			cis	-158.8	159.4	17.3	-105.2	150.3	0	0	0	111.3
692	L	34.2	Very low	35.1	Very low	130 Å²	130	141.4 Å²	141.4	68%	0.681	77%	0.768	S	S	*	*			trans	55.8	105.1	154.1	-63.8	164.3	0	0	0	118.1
693	K	35.2	Very low	34.7	Very low	192 Å²	192	140.7 Å²	140.7	84%	0.835	77%	0.774	S	S	*	*				66.5	83.4	83	-75.6	-166.1	173.9	-178.6	0	116.1
694	T	33.4	Very low	34.4	Very low	134 Å²	134	140.9 Å²	140.9	82%	0.822	78%	0.775	S	S	*	*			trans	-166.1	157.5	146.8	29.5	0	0	0	0	108.9
695	P	35.5	Very low	34.3	Very low	105 Å²	105	140.8 Å²	140.8	68%	0.682	77%	0.774	S	S	*	*			cis	-141.6	-167.1	-35.7	41.9	-23.9	0	0	0	112.8
696	K	31	Very low	34.3	Very low	195 Å²	195	139.8 Å²	139.8	85%	0.848	78%	0.775	S	S	*	*			trans	37	107.2	149.3	-65	170.5	176.9	-177.2	0	121.2
697	S	30.1	Very low	34.3	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	76%	0.756	S	S	*	*				-160.3	146.3	126.4	46.1	0	0	0	0	107.6
698	V	29.9	Very low	34.4	Very low	112 Å²	112	141 Å²	141	68%	0.679	76%	0.76	S	S	*	*			cis	93.5	131.2	17.3	-177.1	0	0	0	0	114.1
699	Q	31	Very low	34.4	Very low	166 Å²	166	140.7 Å²	140.7	78%	0.776	75%	0.753	S	S	*	*			trans	67.6	128	178.9	-74.1	146	-38.7	0	0	115
700	T	38.3	Very low	34.5	Very low	108 Å²	108	138.4 Å²	138.4	66%	0.663	75%	0.749	S	S	*	*			cis	68.3	127	39.6	76.2	0	0	0	0	114
701	P	38.3	Very low	34.6	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	75%	0.746	S	S	*	*				-127.7	163.9	88	20.1	-2	0	0	0	113
702	R	32.4	Very low	34.6	Very low	228 Å²	228	137.9 Å²	137.9	86%	0.86	75%	0.748	S	S	*	*			cis	82	84.6	-1.9	-154.6	-168	-167.3	-152.5	2.8	119.6
703	V	33.5	Very low	34.8	Very low	137 Å²	137	140.2 Å²	140.2	83%	0.83	76%	0.756	S	S	*	*			trans	-162.2	152.9	153.2	-100.6	0	0	0	0	105.9
704	S	32.3	Very low	35.3	Very low	117 Å²	117	135.7 Å²	135.7	82%	0.818	75%	0.746	S	S	*	*			cis	-175.3	158.3	-18.9	40.5	0	0	0	0	106.3
705	G	34	Very low	35.4	Very low	63 Å²	63	133.4 Å²	133.4	65%	0.649	74%	0.735	S	S	*	*			cis	-146.9	-172.7	4.8	0	0	0	0	0	112.2
706	V	37.9	Very low	35.6	Very low	144 Å²	144	131.1 Å²	131.1	87%	0.873	72%	0.72	S	S	*	*				78.2	120	90.3	168.7	0	0	0	0	111.2
707	S	38.1	Very low	36	Very low	77 Å²	77	126.4 Å²	126.4	54%	0.538	70%	0.699	S	S	.	*			cis	-166	146.4	6.2	-113.3	0	0	0	0	111.7
708	E	38.2	Very low	36.5	Very low	165 Å²	165	128.7 Å²	128.7	77%	0.771	69%	0.69	S	S	*	*				109.7	153.6	104.9	-86.3	166	-132.4	0	0	114.3
709	L	35.9	Very low	36.9	Very low	124 Å²	124	131.6 Å²	131.6	65%	0.649	70%	0.696	S	S	*	*			cis	-163.5	102.6	-31.5	-154.5	145.8	0	0	0	114.6
710	F	37.5	Very low	37.2	Very low	168 Å²	168	135.4 Å²	135.4	74%	0.737	70%	0.703	S	S	*	*			trans	62.8	-178.6	156.3	-59.3	-131.4	0	0	0	117.2
711	K	38.3	Very low	37.1	Very low	160 Å²	160	133.4 Å²	133.4	70%	0.696	70%	0.704	S	S	*	*			cis	-160.1	145.8	8.8	-145.5	144.2	-171.9	168.7	0	114.9
712	D	32.5	Very low	37.3	Very low	135 Å²	135	135.5 Å²	135.5	72%	0.722	70%	0.697	S	S	*	*			trans	15.9	155.9	141.1	-41.5	-29	0	0	0	121.7
713	E	36.9	Very low	37.6	Very low	178 Å²	178	129.4 Å²	129.4	83%	0.832	69%	0.687	S	S	*	*			cis	-157.5	-159.8	4	-131	-144.5	137.6	0	0	111.7
714	P	45.3	Very low	37.7	Very low	97 Å²	97	128.1 Å²	128.1	63%	0.63	68%	0.684	S	S	*	*			trans	-140.2	-159.9	-141.3	44.3	-20	0	0	0	119.2
715	S	36.6	Very low	37.7	Very low	86 Å²	86	127.3 Å²	127.3	60%	0.601	68%	0.678	S	S	*	*			trans	109.1	149	147.3	87.4	0	0	0	0	119.3
716	V	39.4	Very low	37.9	Very low	58 Å²	58	131 Å²	131	35%	0.352	69%	0.688	S	S	.	*			cis	-174.4	148.5	-12.3	131.2	0	0	0	0	111.1	E1486 S1487	V716-E1486 WeakPolarHBondContact O-CA 3.35Å; V716-E1486 WeakPolarHBondContact O-CB 3.04Å; V716-E1486 WeakPolarHBondContact O-CG 3.49Å; V716-S1487 WeakPolarHBondContact O-CA 3.37Å
717	K	40.1	Very low	38.3	Very low	96 Å²	96	129.4 Å²	129.4	42%	0.417	68%	0.68	S	S	.	*			trans	92.9	143.6	160.1	-91.9	-163.4	-136.3	163.2	0	125	K1485 E1486 S1487 G1488	K717-K1485 CarbonylContact O-C 3.53Å; K717-E1486 WeakPolarHBondContact O-CA 3.32Å; K717-S1487 WeakPolarHBondContact CD-O 3.34Å; K717-S1487 VanDerWaalsContact CE-O 3.24Å; K717-S1487 WeakPolarHBondContact CE-O 3.45Å; K717-S1487 PolarHBondContact NZ-O 2.91Å; K717-G1488 WeakPolarHBondContact CE-O 3.15Å; K717-G1488 PolarHBondContact NZ-O 2.84Å
718	R	39.8	Very low	38.7	Very low	162 Å²	162	130.7 Å²	130.7	61%	0.611	69%	0.687	S	S	*	*			trans	85.3	91	142	-78.2	176.8	173.7	168.9	-1.6	124
719	H	37.5	Very low	38.8	Very low	174 Å²	174	127.1 Å²	127.1	81%	0.806	68%	0.676	S	S	*	*			trans	78	-178.3	147.7	-51	-57.5	0	0	0	117.3
720	R	38.2	Very low	38.8	Very low	245 Å²	245	124.2 Å²	124.2	93%	0.925	66%	0.662	S	S	*	*			cis	-163.3	149.1	21.2	-179.7	-176.5	-180	-172.8	0.4	112.1
721	G	35.5	Very low	38.7	Very low	67 Å²	67	121.3 Å²	121.3	69%	0.691	65%	0.653	S	S	*	*			trans	110.3	-175.3	157.5	0	0	0	0	0	121.4
722	R	43.6	Very low	38.6	Very low	164 Å²	164	119.5 Å²	119.5	62%	0.619	66%	0.656	S	S	*	*			trans	-167.7	171.3	-178	-135.2	-171.5	-177.7	144.3	-2.6	106.6	E491 L492	E491-R722 IonicContact OE2-CZ 2.63Å; E491-R722 IonicContact OE2-NH1 3.75Å; E491-R722 IonicContact OE2-NH2 2.87Å; E491-R722 PolarHBondContact OE2-NH2 3.44Å; L492-R722 HydrophobicContact CD1-CB 4.28Å; L492-R722 HydrophobicContact CD1-CG 3.75Å; L492-R722 HydrophobicContact CD2-CG 3.98Å; L492-R722 HydrophobicContact CG-CG 4.48Å
723	P	38	Very low	38.8	Very low	101 Å²	101	121 Å²	121	66%	0.656	66%	0.658	S	S	*	*			cis	-136.7	-160	-5.9	43.3	-23.2	0	0	0	114.7
724	S	36.1	Very low	38.6	Very low	110 Å²	110	118.8 Å²	118.8	77%	0.769	66%	0.657	S	S	*	*			trans	69.5	171	150	-71.1	0	0	0	0	121.2
725	S	31.3	Very low	38.2	Very low	100 Å²	100	123 Å²	123	70%	0.699	67%	0.668	S	S	*	*			cis	-164.6	110.3	-46.9	57.5	0	0	0	0	115.4
726	V	38.1	Very low	37.9	Very low	141 Å²	141	123.4 Å²	123.4	86%	0.855	68%	0.677	S	S	*	*			trans	49.9	112.4	151.7	-154.9	0	0	0	0	121.7
727	P	47.4	Very low	37.6	Very low	109 Å²	109	126.8 Å²	126.8	71%	0.708	70%	0.698	S	S	*	*			trans	-105.1	178.3	178.9	41.6	-36.6	0	0	0	116.5
728	P	45.6	Very low	37.3	Very low	104 Å²	104	127.6 Å²	127.6	68%	0.675	71%	0.711	S	S	*	*			trans	-95.9	-114.1	-165.5	38.5	-36.3	0	0	0	119	R1867	P728-R1867 VanDerWaalsContact O-CZ 3.29Å; P728-R1867 PolarHBondContact O-NH1 2.98Å; P728-R1867 PolarHBondContact O-NH2 2.89Å
729	T	40.5	Very low	37.3	Very low	90 Å²	90	124.7 Å²	124.7	55%	0.552	71%	0.713	S	S	*	*			trans	-177.9	155.6	-141	-100	0	0	0	0	108.7	R1867	T729-R1867 PolarHBondContact OG1-NH1 2.76Å; T729-R1867 PolarHBondContact OG1-NH2 3.26Å
730	D	35.8	Very low	37.1	Very low	64 Å²	64	123.4 Å²	123.4	34%	0.342	71%	0.707	S	S	.	*			cis	-176.1	171.8	-17	-91	-51.8	0	0	0	110.6	R1865	D730-R1865 VanDerWaalsContact CB-NE 3.29Å; D730-R1865 IonicContact OD1-CZ 3.89Å; D730-R1865 IonicContact OD1-NE 2.74Å; D730-R1865 PolarHBondContact OD1-NE 3.43Å; D730-R1865 IonicContact OD1-NH2 2.79Å; D730-R1865 PolarHBondContact OD1-NH2 3.5Å; D730-R1865 IonicContact OD2-NE 3.49Å; D730-R1865 PolarHBondContact OD2-NE 3.14Å
731	L	36.9	Very low	36.8	Very low	106 Å²	106	119.2 Å²	119.2	56%	0.555	70%	0.7	S	S	*	*			trans	74.5	150.4	168.5	-71.4	166.4	0	0	0	117.7
732	T	36.3	Very low	36.6	Very low	123 Å²	123	119.8 Å²	119.8	76%	0.755	69%	0.694	S	S	*	*			cis	-138.8	-149.3	-11.4	-27.8	0	0	0	0	111.6
733	E	35.3	Very low	36.1	Very low	165 Å²	165	119.7 Å²	119.7	77%	0.771	71%	0.705	S	S	*	*			trans	-106.1	164.9	-167.6	-69.3	161.8	152	0	0	114.6
734	T	34.1	Very low	35.8	Very low	133 Å²	133	119.3 Å²	119.3	82%	0.816	70%	0.704	S	S	*	*			trans	79.4	129.8	161.8	21.8	0	0	0	0	122
735	E	35.3	Very low	35.6	Very low	184 Å²	184	119.1 Å²	119.1	86%	0.86	70%	0.703	S	S	*	*			trans	66	105.9	154.2	-53.6	-159.3	142.5	0	0	123.3
736	A	32.2	Very low	35.7	Very low	95 Å²	95	120.5 Å²	120.5	79%	0.785	71%	0.707	S	S	*	*				87.6	136.3	126.5	0	0	0	0	0	122.4
737	V	31.6	Very low	35.4	Very low	129 Å²	129	123.9 Å²	123.9	78%	0.782	70%	0.704	S	S	*	*			trans	64.7	96.2	161.6	-165.4	0	0	0	0	119.5
738	T	34.9	Very low	34.9	Very low	113 Å²	113	125.4 Å²	125.4	69%	0.693	70%	0.7	S	S	*	*			trans	-13.1	165.8	137.6	47.6	0	0	0	0	120.6
739	P	39.2	Very low	34.4	Very low	102 Å²	102	128 Å²	128	66%	0.662	70%	0.703	S	S	*	*			cis	-132.9	-144	5.5	26.5	0.2	0	0	0	112.9
740	E	32.6	Very low	34.1	Very low	147 Å²	147	128.8 Å²	128.8	69%	0.687	71%	0.712	S	S	*	*			trans	72.2	97	161.6	-62.4	-58.7	92.2	0	0	120.1
741	M	32.1	Very low	34	Very low	156 Å²	156	127.8 Å²	127.8	77%	0.768	72%	0.717	S	S	*	*			trans	63.2	133.6	132.2	-62.6	-91.4	172.3	0	0	119.8
742	S	31.8	Very low	34.2	Very low	80 Å²	80	128.9 Å²	128.9	56%	0.559	72%	0.723	S	S	*	*			cis	-167.6	137.8	-9.9	-119.2	0	0	0	0	111.5
743	L	32.2	Very low	34	Very low	162 Å²	162	128.7 Å²	128.7	85%	0.848	72%	0.722	S	S	*	*			trans	53.2	141.2	140	-55.5	175.1	0	0	0	120.2
744	S	33.1	Very low	34	Very low	93 Å²	93	123.8 Å²	123.8	65%	0.65	72%	0.715	S	S	*	*			cis	-167.3	147.3	-6.2	60.7	0	0	0	0	107.9
745	S	31.3	Very low	34.1	Very low	106 Å²	106	123.5 Å²	123.5	74%	0.741	71%	0.713	S	S	*	*				63.4	146.2	83.5	115.7	0	0	0	0	115.3
746	V	32.5	Very low	34	Very low	129 Å²	129	124.4 Å²	124.4	78%	0.782	71%	0.709	S	S	*	*			cis	-159.1	180	-6.3	96.2	0	0	0	0	112.6
747	R	32.7	Very low	34.3	Very low	211 Å²	211	128.9 Å²	128.9	80%	0.796	71%	0.71	S	S	*	*			trans	-53.3	-176.8	168	-57.2	163.1	163.9	163.5	-7.9	113.1
748	K	36.8	Very low	34.3	Very low	141 Å²	141	129.7 Å²	129.7	61%	0.613	71%	0.71	S	S	*	*			cis	-172.9	154.5	20.8	-144.5	166.1	175	-88.9	0	109.8
749	E	36	Very low	34.2	Very low	158 Å²	158	131 Å²	131	74%	0.738	71%	0.712	S	S	*	*			trans	54.2	163.8	148.6	-83.2	146.8	-137.6	0	0	120.4
750	S	33.5	Very low	34	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	72%	0.72	S	S	*	*			cis	-149.4	-159	-3.9	69	0	0	0	0	111	Q494	Q494-S750 PolarHBondContact NE2-O 2.91Å
751	G	33.8	Very low	34.3	Very low	44 Å²	44	133.7 Å²	133.7	45%	0.454	72%	0.72	S	S	.	*			trans	117.4	139.8	156.9	0	0	0	0	0	115.8	Q494	Q494-G751 VanDerWaalsContact CD-O 3.24Å; Q494-G751 PolarHBondContact NE2-O 3.4Å; Q494-G751 PolarHBondContact OE1-O 2.84Å; Q494-G751 VanDerWaalsContact OE1-O 3.04Å
752	L	40.2	Very low	34.7	Very low	128 Å²	128	130.8 Å²	130.8	67%	0.67	71%	0.713	S	S	*	*			trans	-135.5	171.3	-174	-91.5	168.3	0	0	0	113.9
753	T	33.6	Very low	34.7	Very low	119 Å²	119	136 Å²	136	73%	0.73	73%	0.726	S	S	*	*			trans	93.4	137.4	167.1	76	0	0	0	0	117.5	L495	L495-T753 WeakPolarHBondContact CD1-O 3.44Å
754	G	34.2	Very low	34.6	Very low	62 Å²	62	132.7 Å²	132.7	64%	0.639	72%	0.716	S	S	*	*			cis	171.8	-172.8	-9.8	0	0	0	0	0	116.4
755	V	35.6	Very low	34.5	Very low	127 Å²	127	133.2 Å²	133.2	77%	0.77	72%	0.716	S	S	*	*			trans	72.8	100.8	152.6	-170.3	0	0	0	0	121
756	R	34.9	Very low	34.7	Very low	204 Å²	204	136 Å²	136	77%	0.77	72%	0.717	S	S	*	*			trans	43.7	120.2	134.1	-53.5	172.9	176.5	160.8	-6.8	121.6
757	K	36.8	Very low	34.7	Very low	188 Å²	188	135.5 Å²	135.5	82%	0.817	71%	0.714	S	S	*	*				171	111.9	109.5	-91.9	157.5	-175	171	0	110.6
758	L	33.1	Very low	34.9	Very low	147 Å²	147	131.8 Å²	131.8	77%	0.77	72%	0.717	S	S	*	*				80.8	131.4	81.6	-86.6	177.5	0	0	0	116
759	L	32.5	Very low	34.6	Very low	141 Å²	141	136 Å²	136	74%	0.738	73%	0.729	S	S	*	*			trans	67.6	112.6	159.4	-60.6	165.1	0	0	0	116.4
760	K	35.2	Very low	34.3	Very low	190 Å²	190	135 Å²	135	83%	0.826	73%	0.734	S	S	*	*			cis	-168	153.7	48.7	-96.8	133.7	178.6	175.1	0	113.6
761	T	38.6	Very low	34.1	Very low	114 Å²	114	135.1 Å²	135.1	70%	0.699	74%	0.735	S	S	*	*			trans	-94.2	-175.2	154.9	65	0	0	0	0	109.1
762	P	39.3	Very low	33.8	Very low	95 Å²	95	136 Å²	136	62%	0.617	74%	0.744	S	S	*	*			cis	-143.4	-179.8	-1.9	40.9	-21	0	0	0	117.5
763	K	32.2	Very low	33.4	Very low	189 Å²	189	136.3 Å²	136.3	82%	0.822	75%	0.751	S	S	*	*			trans	76.5	130.7	138	-87.1	162.2	-176	169.5	0	124
764	S	29.6	Very low	33.3	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	75%	0.749	S	S	*	*			trans	88.7	153.6	131.8	83.8	0	0	0	0	120.1
765	V	32.3	Very low	33.3	Very low	105 Å²	105	140.3 Å²	140.3	64%	0.636	76%	0.756	S	S	*	*			cis	-167.3	146.7	-15.1	125.7	0	0	0	0	111.4
766	Q	34.5	Very low	33.1	Very low	163 Å²	163	140 Å²	140	76%	0.762	75%	0.749	S	S	*	*			trans	47.8	115.7	154.8	-71	171.7	-23.7	0	0	123.9
767	T	33.9	Very low	33.3	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	75%	0.749	S	S	*	*				31.3	132.5	123.6	62.8	0	0	0	0	122.7
768	P	35.3	Very low	33.3	Very low	132 Å²	132	136.8 Å²	136.8	86%	0.857	74%	0.741	S	S	*	*			trans	-89.3	178.7	139.5	37.2	-31.1	0	0	0	112.2
769	R	31.2	Very low	33.3	Very low	230 Å²	230	135.1 Å²	135.1	87%	0.868	73%	0.733	S	S	*	*			trans	-159.3	143.3	-175.6	-167.1	-169.1	-171.1	-171.3	3.8	110.7
770	V	30.7	Very low	33.5	Very low	137 Å²	137	136 Å²	136	83%	0.83	73%	0.733	S	S	*	*			trans	55.2	156.9	179.3	-88.5	0	0	0	0	115.4
771	S	28.2	Very low	34	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	72%	0.722	S	S	*	*			cis	-153.8	155	-4.1	36.5	0	0	0	0	106
772	G	28.8	Very low	33.8	Very low	63 Å²	63	131 Å²	131	65%	0.649	73%	0.725	S	S	*	*			cis	105	152.3	36	0	0	0	0	0	109.5
773	V	31	Very low	33.6	Very low	133 Å²	133	132.3 Å²	132.3	81%	0.806	73%	0.73	S	S	*	*			trans	75.3	142.6	-173.9	-170.6	0	0	0	0	113.5
774	S	32.2	Very low	33.9	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	73%	0.726	S	S	*	*			cis	178.9	-169.8	-33.7	-85.6	0	0	0	0	106.2
775	E	33.2	Very low	34	Very low	164 Å²	164	136.1 Å²	136.1	77%	0.766	73%	0.73	S	S	*	*			trans	83.5	137.6	153.9	-54.8	-172.2	-177.6	0	0	117.6
776	L	32.8	Very low	33.9	Very low	122 Å²	122	137.5 Å²	137.5	64%	0.639	73%	0.729	S	S	*	*			cis	-172	-178.8	-21	-122.7	166.3	0	0	0	109.9
777	F	38.2	Very low	33.7	Very low	176 Å²	176	140.7 Å²	140.7	77%	0.772	73%	0.734	S	S	*	*			trans	73.3	146.1	166.7	-43.1	-69.2	0	0	0	116.5
778	K	37.1	Very low	33.5	Very low	147 Å²	147	138.5 Å²	138.5	64%	0.639	74%	0.736	S	S	*	*			cis	-132.6	-149.7	-4.1	-158.9	-142.6	170.5	-76.2	0	110.5
779	D	32.2	Very low	33.7	Very low	112 Å²	112	143.5 Å²	143.5	60%	0.599	74%	0.737	S	S	*	*			trans	-171.6	-175.9	-156	41.4	-105.7	0	0	0	110.7
780	E	37.2	Very low	33.9	Very low	161 Å²	161	138.1 Å²	138.1	75%	0.752	73%	0.732	S	S	*	*			trans	79.6	156.2	177.3	-69.6	-135.4	111.9	0	0	119
781	P	46.5	Very low	33.9	Very low	90 Å²	90	136.3 Å²	136.3	58%	0.584	73%	0.726	S	S	*	*			cis	-142.9	-177.3	-40.2	40.2	-23.9	0	0	0	114.8
782	S	33.9	Very low	33.9	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	73%	0.729	S	S	*	*			trans	75.1	163.7	146	83.2	0	0	0	0	119.2
783	V	35.2	Very low	34.3	Very low	121 Å²	121	139.7 Å²	139.7	73%	0.733	73%	0.734	S	S	*	*				-170.4	166.6	-52.5	124.7	0	0	0	0	109.6
784	K	39.1	Very low	35.1	Very low	166 Å²	166	138.8 Å²	138.8	72%	0.722	73%	0.731	S	S	*	*			trans	73.9	116.4	163.6	-84.4	159.4	-168	172	0	120.3
785	R	30.4	Very low	35.5	Very low	197 Å²	197	139.4 Å²	139.4	74%	0.743	73%	0.732	S	S	*	*				78.1	130.3	118.8	-75.2	178.5	176	-177.3	-3.4	123.1
786	H	29.8	Very low	35.4	Very low	134 Å²	134	137.3 Å²	137.3	62%	0.62	73%	0.731	S	S	*	*			trans	85.1	133.4	131.8	-73	-36.7	0	0	0	122.4
787	R	31.1	Very low	35.1	Very low	230 Å²	230	137.8 Å²	137.8	87%	0.868	73%	0.734	S	S	*	*			trans	62.1	127.7	140.8	-64	167.9	179.9	178.4	-3	117.8
788	G	29	Very low	34.8	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	73%	0.73	S	S	*	*			cis	175.2	-168.5	-2.4	0	0	0	0	0	115.7
789	R	39.8	Very low	34.4	Very low	236 Å²	236	132.9 Å²	132.9	89%	0.891	73%	0.726	S	S	*	*			trans	-40.9	161.2	160.5	-101.9	177.6	157.2	-161	-5.8	113
790	P	35	Very low	34.4	Very low	118 Å²	118	133 Å²	133	77%	0.766	72%	0.723	S	S	*	*			cis	-126	164	34	14.6	11.7	0	0	0	114.3
791	S	31.1	Very low	34.1	Very low	99 Å²	99	128.4 Å²	128.4	69%	0.692	71%	0.706	S	S	*	*				73.7	105.5	60.2	-171.4	0	0	0	0	116.5
792	S	29	Very low	33.6	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	70%	0.697	S	S	*	*			trans	-162.8	142.3	134.1	57.1	0	0	0	0	114.3
793	V	37.4	Very low	33.6	Very low	124 Å²	124	126.2 Å²	126.2	75%	0.752	69%	0.687	S	S	*	*			trans	-57.6	157	176.4	173.3	0	0	0	0	113.6
794	P	48.2	Very low	33.4	Very low	114 Å²	114	126.1 Å²	126.1	74%	0.74	69%	0.687	S	S	*	*			trans	-71.5	167.1	176.4	32.1	-40.2	0	0	0	114.1
795	P	40.1	Very low	33.4	Very low	113 Å²	113	124.2 Å²	124.2	73%	0.734	69%	0.689	S	S	*	*				-143.4	139.6	118.1	36.5	-21.9	0	0	0	116.2
796	T	30.3	Very low	34	Very low	120 Å²	120	119.9 Å²	119.9	74%	0.736	69%	0.686	S	S	*	*				63.8	133.1	120.4	-46.9	0	0	0	0	123
797	D	27.2	Very low	34.2	Very low	132 Å²	132	119 Å²	119	71%	0.706	68%	0.683	S	S	*	*			trans	76.6	106.7	152.8	-69.2	-5.3	0	0	0	126
798	L	30.4	Very low	34.3	Very low	132 Å²	132	116.2 Å²	116.2	69%	0.691	68%	0.681	S	S	*	*				89.1	141.9	117	-66.5	172.8	0	0	0	124.6
799	T	29.8	Very low	34.8	Very low	89 Å²	89	116.1 Å²	116.1	55%	0.546	67%	0.669	S	S	.	*			trans	55.4	94	150.2	50.3	0	0	0	0	123.3	R292	R292-T799 PolarHBondContact NH1-O 2.66Å; R292-T799 PolarHBondContact NH2-O 2.97Å
800	E	32.3	Very low	34.6	Very low	114 Å²	114	109.5 Å²	109.5	53%	0.533	65%	0.651	S	S	.	*				92	106.7	115.1	-68.3	-158.1	-110.4	0	0	125.6	K291 R292	K291-E800 HydrophobicContact CD-CB 4.42Å; K291-E800 HydrophobicContact CD-CG 4.15Å; K291-E800 IonicContact NZ-OE2 3.34Å; K291-E800 PolarHBondContact NZ-OE2 3.38Å; R292-E800 VanDerWaalsContact CZ-C 3.5Å; R292-E800 PolarHBondContact NE-O 2.76Å; R292-E800 PolarHBondContact NH2-O 2.86Å
801	T	31.3	Very low	34.6	Very low	65 Å²	65	106.8 Å²	106.8	40%	0.399	64%	0.635	S	S	.	*				161.7	129	106.4	-75	0	0	0	0	115.5	K291 R292	K291-T801 PolarHBondContact NZ-OG1 3.49Å; K291-T801 VanDerWaalsContact NZ-OG1 3.09Å; R292-T801 VanDerWaalsContact CA-O 3.26Å; R292-T801 WeakPolarHBondContact CA-O 3.16Å; R292-T801 VanDerWaalsContact CG-N 3.27Å; R292-T801 WeakPolarHBondContact CG-O 3.31Å; R292-T801 PolarHBondContact N-O 2.74Å
802	E	36	Very low	34.8	Very low	84 Å²	84	106.5 Å²	106.5	39%	0.393	63%	0.633	S	S	.	*	B	Isolated β-bridge	trans	27.3	158.1	173.2	-85.2	162.6	-112.2	0	0	126.8	E289 N290 K291 R292	E289-E802 HydrophobicContact CB-CG 4.07Å; E289-E802 HydrophobicContact CG-CG 3.99Å; N290-E802 CarbonylContact O-C 2.96Å; N290-E802 VanDerWaalsContact O-C 3.3Å; N290-E802 WeakPolarHBondContact O-CA 3.4Å; K291-E802 VanDerWaalsContact CB-N 3.33Å; K291-E802 VanDerWaalsContact CG-N 3.29Å; R292-E802 PolarHBondContact N-O 3.07Å
803	A	32.5	Very low	34.9	Very low	68 Å²	68	106.3 Å²	106.3	56%	0.562	63%	0.626	S	S	*	*			trans	88.3	128.3	145.2	0	0	0	0	0	122	N290	N290-A803 PolarHBondContact O-N 2.9Å
804	V	32	Very low	34.7	Very low	120 Å²	120	110.1 Å²	110.1	73%	0.727	63%	0.627	S	S	*	*			trans	80.1	88.8	139.7	173.3	0	0	0	0	120.1
805	T	38.1	Very low	34.1	Very low	125 Å²	125	111 Å²	111	77%	0.767	62%	0.62	S	S	*	*			trans	69.2	171.4	133.8	71.9	0	0	0	0	119.7
806	P	43	Very low	33.8	Very low	106 Å²	106	112.8 Å²	112.8	69%	0.688	62%	0.618	S	S	*	*				-134.3	-168.1	-63.7	38.2	-20.6	0	0	0	112.4
807	E	33.7	Very low	34.2	Very low	117 Å²	117	112.7 Å²	112.7	55%	0.547	62%	0.622	S	S	.	*			trans	132.7	123.9	137.5	-67.7	-154	138.6	0	0	115.8	K1649	E807-K1649 WeakPolarHBondContact OE1-CE 3.31Å; E807-K1649 IonicContact OE1-NZ 3.26Å; E807-K1649 PolarHBondContact OE1-NZ 3.22Å; E807-K1649 VanDerWaalsContact OE2-CE 3.32Å; E807-K1649 WeakPolarHBondContact OE2-CE 3.5Å; E807-K1649 IonicContact OE2-NZ 3.67Å; E807-K1649 PolarHBondContact OE2-NZ 2.78Å
808	M	34.4	Very low	34.4	Very low	170 Å²	170	109.7 Å²	109.7	84%	0.837	62%	0.622	S	S	*	*			trans	-129.8	119.1	137.3	-78.2	-129.5	70.6	0	0	108.2
809	S	38.4	Very low	35	Very low	73 Å²	73	111 Å²	111	51%	0.51	63%	0.629	S	S	.	*			trans	35.1	137.1	137.6	66.7	0	0	0	0	119.6
810	L	35.8	Very low	35.4	Very low	96 Å²	96	112.6 Å²	112.6	50%	0.503	64%	0.639	S	S	.	*				-151.6	168.5	63.5	-97.1	173.1	0	0	0	118.5	E1651	L810-E1651 WeakPolarHBondContact CB-OE1 3.18Å; L810-E1651 VanDerWaalsContact O-CG 3.29Å; L810-E1651 WeakPolarHBondContact O-CG 3.41Å
811	S	36.7	Very low	35.5	Very low	61 Å²	61	110.7 Å²	110.7	43%	0.427	65%	0.65	S	S	.	*			trans	36.8	117.3	144.2	105.6	0	0	0	0	122.8	E1651	S811-E1651 VanDerWaalsContact CB-OE1 3.3Å; S811-E1651 WeakPolarHBondContact CB-OE1 3.34Å; S811-E1651 WeakPolarHBondContact O-CG 3.34Å; S811-E1651 PolarHBondContact OG-OE1 2.94Å
812	S	33.4	Very low	35.8	Very low	93 Å²	93	113.4 Å²	113.4	65%	0.65	67%	0.666	S	S	*	*				71.6	105	108.6	-175.9	0	0	0	0	120
813	V	32.6	Very low	35.9	Very low	116 Å²	116	119.8 Å²	119.8	70%	0.703	69%	0.686	S	S	*	*			trans	84.2	93.3	138.6	174.8	0	0	0	0	115.2
814	R	32.7	Very low	36.2	Very low	205 Å²	205	123.9 Å²	123.9	77%	0.774	69%	0.691	S	S	*	*				63.9	138.1	67	-61.7	-179.6	164.7	-159.8	-0.8	113.4
815	K	34.8	Very low	36.4	Very low	133 Å²	133	124.6 Å²	124.6	58%	0.578	69%	0.691	S	S	*	*			cis	-170.5	159.5	-8.3	-117.9	166.6	173.2	-78.1	0	107.3
816	E	35.1	Very low	36.3	Very low	150 Å²	150	124.5 Å²	124.5	70%	0.701	69%	0.685	S	S	*	*			trans	64.8	150.3	141.3	-70.3	153.9	-176.2	0	0	120.5
817	S	37.3	Very low	35.9	Very low	118 Å²	118	127.5 Å²	127.5	83%	0.825	69%	0.687	S	S	*	*			cis	-167.2	159.5	-22.7	52.3	0	0	0	0	110.6
818	G	32.4	Very low	35.9	Very low	69 Å²	69	127.9 Å²	127.9	71%	0.711	70%	0.697	S	S	*	*			trans	157	132.3	158.6	0	0	0	0	0	113.5
819	L	42.1	Very low	36	Very low	160 Å²	160	124.6 Å²	124.6	84%	0.838	69%	0.689	S	S	*	*			cis	-167.9	-173.5	-6	-129.5	176.3	0	0	0	108.9
820	T	38.6	Very low	35.7	Very low	122 Å²	122	130.1 Å²	130.1	75%	0.748	70%	0.704	S	S	*	*			trans	77.7	157.1	171.6	79.1	0	0	0	0	115.8	V822	T820-V822 HydrophobicContact CG2-CG2 4.38Å
821	G	34.6	Very low	35.3	Very low	73 Å²	73	130.9 Å²	130.9	75%	0.753	72%	0.717	S	S	*	*			cis	-85.2	158.8	-4.8	0	0	0	0	0	113.9
822	V	37.2	Very low	35	Very low	122 Å²	122	133.7 Å²	133.7	74%	0.739	73%	0.731	S	S	*	*			cis	79.8	104.3	31.7	-176.2	0	0	0	0	114.6	T820	T820-V822 HydrophobicContact CG2-CG2 4.38Å
823	R	38.4	Very low	34.9	Very low	219 Å²	219	138 Å²	138	83%	0.826	74%	0.741	S	S	*	*			trans	166.6	146.8	138.7	-92.1	165.1	-167.1	-150.3	6.7	108.8
824	K	39.9	Very low	35.3	Very low	153 Å²	153	138.6 Å²	138.6	67%	0.665	75%	0.745	S	S	*	*			cis	-171.3	158.8	-13.1	-129.7	-176.8	-178.7	-176.7	0	109.3
825	L	34.9	Very low	35.4	Very low	136 Å²	136	132.4 Å²	132.4	71%	0.712	73%	0.732	S	S	*	*			trans	67.2	161.6	150.8	-63	176.5	0	0	0	117.5
826	L	37.4	Very low	35.2	Very low	122 Å²	122	130.7 Å²	130.7	64%	0.639	72%	0.721	S	S	*	*			cis	-152.3	152.9	-7.5	-114.9	163.2	0	0	0	113.2
827	K	34.1	Very low	35.1	Very low	170 Å²	170	127.5 Å²	127.5	74%	0.739	71%	0.712	S	S	*	*			trans	31.9	117	149.3	-81.8	175	-158.7	173.4	0	123.4
828	T	32.6	Very low	34.8	Very low	124 Å²	124	125.9 Å²	125.9	76%	0.761	70%	0.7	S	S	*	*				39.7	162.7	114.2	60.6	0	0	0	0	123.1
829	P	37.9	Very low	34.8	Very low	102 Å²	102	125.8 Å²	125.8	66%	0.662	70%	0.699	S	S	*	*			cis	-141.5	174.7	-0	28.6	-3.7	0	0	0	118.5
830	K	30.5	Very low	34.3	Very low	189 Å²	189	123.8 Å²	123.8	82%	0.822	69%	0.694	S	S	*	*			trans	52.9	149.9	139.9	-69.7	166.6	-176.6	171.5	0	123.6
831	S	28.7	Very low	34.1	Very low	112 Å²	112	123 Å²	123	78%	0.783	69%	0.694	S	S	*	*			trans	66.7	155.5	150.1	33	0	0	0	0	119.2
832	V	30.5	Very low	34.1	Very low	119 Å²	119	126.4 Å²	126.4	72%	0.721	69%	0.69	S	S	*	*			cis	-168	164.8	-37	119.2	0	0	0	0	106.4
833	Q	30.9	Very low	33.9	Very low	184 Å²	184	126.4 Å²	126.4	86%	0.86	69%	0.685	S	S	*	*			trans	70.3	126.7	169.9	-85.5	158.5	-5.4	0	0	119.1
834	T	39.7	Very low	33.8	Very low	129 Å²	129	123.5 Å²	123.5	79%	0.791	68%	0.678	S	S	*	*			trans	-76.7	158	174.5	50.3	0	0	0	0	114.1
835	P	36.5	Very low	33.6	Very low	75 Å²	75	123.2 Å²	123.2	49%	0.487	68%	0.677	S	S	.	*			trans	-117.1	174.5	149	37	-29.4	0	0	0	114.7
836	R	29.3	Very low	33.5	Very low	97 Å²	97	122.4 Å²	122.4	37%	0.366	67%	0.674	S	S	.	*			trans	-40.8	146.7	169.9	-102.8	-129.7	-172.7	172.6	10.1	113	S838 K1454 R1455 H1456	R836-S838 PolarHBondContact NH1-OG 3.1Å; R836-K1454 PolarHBondContact NE-O 2.93Å; R836-R1455 VanDerWaalsContact CB-O 3.23Å; R836-R1455 WeakPolarHBondContact CB-O 3.48Å; R836-R1455 WeakPolarHBondContact CG-O 3.15Å; R836-R1455 PolarHBondContact N-O 2.81Å; R836-H1456 WeakPolarHBondContact CB-CE1 3.48Å; R836-H1456 WeakPolarHBondContact CB-ND1 3.24Å
837	V	32.9	Very low	33.4	Very low	83 Å²	83	124.7 Å²	124.7	50%	0.503	68%	0.681	S	S	.	*			cis	78	144.5	40.1	171.5	0	0	0	0	114.4	K1454	V837-K1454 HydrophobicContact CB-CD 4.34Å; V837-K1454 HydrophobicContact CG1-CD 4.05Å; V837-K1454 HydrophobicContact CG2-CD 4.1Å; V837-K1454 HydrophobicContact CG2-CG 4.42Å
838	S	30.7	Very low	33.5	Very low	83 Å²	83	121 Å²	121	58%	0.58	67%	0.674	S	S	*	*			trans	69.7	152.2	168.9	52.7	0	0	0	0	116.6	R836	R836-S838 PolarHBondContact NH1-OG 3.1Å
839	G	32.8	Very low	33.5	Very low	67 Å²	67	118.4 Å²	118.4	69%	0.691	66%	0.662	S	S	*	*			cis	-111.6	-137.6	-9.2	0	0	0	0	0	110.8
840	V	33.1	Very low	33.3	Very low	118 Å²	118	119.4 Å²	119.4	72%	0.715	67%	0.665	S	S	*	*			cis	-142.8	131.9	-10.2	179	0	0	0	0	102.6	E842	V840-E842 HydrophobicContact CG1-CG 4.42Å
841	S	33.5	Very low	33.5	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	66%	0.655	S	S	*	*				46.8	148.2	90.5	-23.6	0	0	0	0	112.7
842	E	34.6	Very low	33.8	Very low	144 Å²	144	121.1 Å²	121.1	67%	0.673	65%	0.653	S	S	*	*			cis	-136.7	166.3	32	-70.2	-162.6	144.7	0	0	111.6	V840	V840-E842 HydrophobicContact CG1-CG 4.42Å
843	L	33	Very low	33.8	Very low	122 Å²	122	123.2 Å²	123.2	64%	0.639	66%	0.655	S	S	*	*				42.1	138.4	98.2	-37.1	168.7	0	0	0	113.1
844	F	35.5	Very low	33.8	Very low	157 Å²	157	126.2 Å²	126.2	69%	0.689	66%	0.658	S	S	*	*			cis	-130.4	129.7	34	-93.5	-106	0	0	0	114.8
845	K	35.4	Very low	33.2	Very low	148 Å²	148	123 Å²	123	64%	0.643	65%	0.651	S	S	*	*				64	114.7	127.5	-71	-160.1	172.9	-172.1	0	121.5
846	D	33	Very low	33.1	Very low	119 Å²	119	131.1 Å²	131.1	64%	0.636	67%	0.672	S	S	*	*				77.7	114.2	108.9	-56.2	-6.1	0	0	0	120.5
847	E	35.8	Very low	33.1	Very low	169 Å²	169	132.6 Å²	132.6	79%	0.79	69%	0.694	S	S	*	*				80.8	152.4	119.8	-68.5	-100.3	109.9	0	0	119
848	P	37.1	Very low	32.8	Very low	92 Å²	92	133.2 Å²	133.2	60%	0.597	70%	0.702	S	S	*	*			cis	-136.2	-155.7	-48.8	33.3	-15.3	0	0	0	112.1
849	S	32.2	Very low	32.8	Very low	71 Å²	71	134 Å²	134	50%	0.497	71%	0.707	S	S	.	*			trans	-43.9	151.4	149.2	67.1	0	0	0	0	111.8
850	V	34.4	Very low	33.4	Very low	122 Å²	122	137 Å²	137	74%	0.739	71%	0.713	S	S	*	*				-142.1	107.8	99.8	137.6	0	0	0	0	107.4
851	K	34.4	Very low	34.1	Very low	137 Å²	137	136.9 Å²	136.9	60%	0.596	71%	0.714	S	S	*	*				56.6	102.7	98.4	-61.7	171.7	-155.7	157.6	0	111.8
852	R	33.7	Very low	34.7	Very low	201 Å²	201	137.1 Å²	137.1	76%	0.758	71%	0.713	S	S	*	*				97	158.4	99.5	-77	178.2	179.9	179.1	-1.3	111.4
853	H	30.6	Very low	34.8	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.755	71%	0.714	S	S	*	*			trans	67.6	151.3	177.1	-40.1	-82.5	0	0	0	112.7
854	R	31.1	Very low	35	Very low	246 Å²	246	136.3 Å²	136.3	93%	0.928	72%	0.718	S	S	*	*			cis	-118.4	-153.1	-3.4	-71.9	-179.9	166.7	154.9	-3.9	110.5
855	G	27	Very low	35.1	Very low	63 Å²	63	136 Å²	136	65%	0.649	72%	0.723	S	S	*	*			trans	-59.4	168.8	166.6	0	0	0	0	0	112.6
856	R	35.8	Very low	35.4	Very low	245 Å²	245	134.4 Å²	134.4	93%	0.925	73%	0.726	S	S	*	*				50.4	114.1	72.3	-170.2	-168.8	-170	-144.6	3.4	110.9
857	P	29	Very low	36	Very low	128 Å²	128	137 Å²	137	83%	0.831	73%	0.734	S	S	*	*			cis	-124	-66.1	0.5	32.8	-14	0	0	0	115.7
858	S	26.5	Very low	36.4	Very low	95 Å²	95	134.7 Å²	134.7	66%	0.664	73%	0.732	S	S	*	*			trans	-89.4	176.1	-166.9	-169.5	0	0	0	0	113.4
859	S	29.4	Very low	36.6	Very low	99 Å²	99	139.4 Å²	139.4	69%	0.692	75%	0.746	S	S	*	*			trans	64.2	127.6	144.9	51.7	0	0	0	0	122.5
860	V	46.2	Very low	36.9	Very low	132 Å²	132	139.7 Å²	139.7	80%	0.8	75%	0.752	S	S	*	*				3.9	140.2	118.2	-156.9	0	0	0	0	114.7
861	P	47.7	Very low	37.3	Very low	114 Å²	114	140.2 Å²	140.2	74%	0.74	76%	0.755	S	S	*	*			cis	-147.3	-156	47.1	45.7	-24.8	0	0	0	113.9
862	P	45.9	Very low	37.4	Very low	113 Å²	113	139.6 Å²	139.6	73%	0.734	76%	0.763	S	S	*	*			cis	-113.1	-171.9	-21.6	42.1	-28.8	0	0	0	111.3
863	T	37.1	Very low	38.3	Very low	114 Å²	114	135.3 Å²	135.3	70%	0.699	76%	0.762	S	S	*	*	S	Bend	cis	-138.2	152.6	-4	-8.3	0	0	0	0	104.4
864	D	37	Very low	38.5	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	76%	0.76	S	S	*	*	S	Bend	cis	-136.2	147.1	29.9	-78	-53.8	0	0	0	114.5
865	L	38.7	Very low	38.5	Very low	151 Å²	151	129.5 Å²	129.5	79%	0.791	75%	0.747	S	S	*	*			trans	66.7	123.4	150.6	-61.3	168.5	0	0	0	123.5
866	T	41.6	Very low	38.7	Very low	114 Å²	114	131.1 Å²	131.1	70%	0.699	75%	0.748	S	S	*	*			trans	73.7	93.1	142	53.8	0	0	0	0	124
867	E	46	Very low	38.8	Very low	174 Å²	174	126.9 Å²	126.9	81%	0.813	74%	0.743	S	S	*	*				89.5	139	118	-72.7	174.9	-161.9	0	0	126.7
868	T	43.1	Very low	38.9	Very low	120 Å²	120	126.6 Å²	126.6	74%	0.736	74%	0.744	S	S	*	*			trans	57.3	112.1	154.2	43.5	0	0	0	0	126.4
869	E	42.4	Very low	39.2	Very low	191 Å²	191	127.3 Å²	127.3	89%	0.893	75%	0.749	S	S	*	*				48.2	148.2	127	-62.3	-160.1	157.8	0	0	124.3
870	A	38.4	Very low	39.4	Very low	76 Å²	76	128.5 Å²	128.5	63%	0.628	75%	0.752	S	S	*	*			cis	-163.1	144	-15.8	0	0	0	0	0	113.5
871	V	41.1	Very low	38.7	Very low	133 Å²	133	134 Å²	134	81%	0.806	76%	0.758	S	S	*	*				40.8	134.7	126.8	-170.3	0	0	0	0	119.5
872	T	37.2	Very low	38.2	Very low	125 Å²	125	136.3 Å²	136.3	77%	0.767	76%	0.757	S	S	*	*			cis	-150.7	167.3	23.8	-8.7	0	0	0	0	114
873	P	52.5	Low	37.7	Very low	111 Å²	111	138 Å²	138	72%	0.721	76%	0.755	S	S	*	*			trans	-123.3	-132	-177.7	43.2	-27.6	0	0	0	115.1
874	E	34.9	Very low	37.4	Very low	153 Å²	153	138.5 Å²	138.5	72%	0.715	76%	0.763	S	S	*	*			trans	92.2	147	174	-54.1	-92.1	102.6	0	0	117.4
875	M	31.8	Very low	37.1	Very low	133 Å²	133	135.4 Å²	135.4	66%	0.655	76%	0.763	S	S	*	*			cis	-151.9	131.4	-15.7	-118.8	-68.9	152.7	0	0	115.4
876	S	31.5	Very low	36.9	Very low	98 Å²	98	136.1 Å²	136.1	69%	0.685	77%	0.767	S	S	*	*			trans	37.3	-143	147.2	77.3	0	0	0	0	125.4
877	L	37.2	Very low	36.5	Very low	156 Å²	156	137.8 Å²	137.8	82%	0.817	78%	0.777	S	S	*	*			trans	-154.3	163.9	-140.2	-69.6	163.6	0	0	0	110.5
878	S	31.4	Very low	36	Very low	121 Å²	121	133.2 Å²	133.2	85%	0.846	78%	0.776	S	S	*	*			trans	156.3	-165.8	131.9	64.1	0	0	0	0	114.1
879	S	31.8	Very low	35.6	Very low	110 Å²	110	134 Å²	134	77%	0.769	78%	0.78	S	S	*	*			trans	87.2	137.3	159.6	-161.4	0	0	0	0	119.1
880	V	34.3	Very low	35.5	Very low	124 Å²	124	135.8 Å²	135.8	75%	0.752	78%	0.779	S	S	*	*			cis	-173	156.8	-40.7	126.5	0	0	0	0	107.9
881	R	32.2	Very low	35.6	Very low	248 Å²	248	140.5 Å²	140.5	94%	0.936	79%	0.786	S	S	*	*			trans	-174.1	125.7	137.4	-106.2	168.9	-171.1	-149	-2.5	113.5
882	K	36.6	Very low	35.4	Very low	162 Å²	162	140.3 Å²	140.3	70%	0.704	78%	0.779	S	S	*	*			trans	-149.6	140.6	171.1	-130.6	178.9	175.3	-76	0	108.7
883	E	34.3	Very low	35.6	Very low	148 Å²	148	139.4 Å²	139.4	69%	0.692	77%	0.769	S	S	*	*			trans	39.3	138.6	148.4	-69.5	146.1	-166.9	0	0	124.4
884	S	31.9	Very low	34.8	Very low	125 Å²	125	141.5 Å²	141.5	87%	0.874	77%	0.767	S	S	*	*			trans	88	156.8	145.8	77.9	0	0	0	0	121.5
885	G	30.5	Very low	35	Very low	70 Å²	70	139.7 Å²	139.7	72%	0.722	77%	0.766	S	S	*	*			trans	81.5	115.5	-170.7	0	0	0	0	0	113.2
886	L	34.9	Very low	35.5	Very low	166 Å²	166	138.6 Å²	138.6	87%	0.869	77%	0.769	S	S	*	*			cis	83.5	139.7	30.6	-70.5	176.4	0	0	0	116.8
887	T	32.8	Very low	35.6	Very low	150 Å²	150	142.9 Å²	142.9	92%	0.92	78%	0.776	S	S	*	*			trans	58.3	158.9	175.4	57.3	0	0	0	0	119
888	G	35.4	Very low	35.7	Very low	77 Å²	77	140.9 Å²	140.9	79%	0.794	78%	0.775	S	S	*	*			trans	119.6	111.5	-177.7	0	0	0	0	0	114.1
889	V	33.6	Very low	35.8	Very low	136 Å²	136	140.9 Å²	140.9	82%	0.824	77%	0.769	S	S	*	*			trans	-126.3	161.9	-177.5	-173.8	0	0	0	0	109.6
890	R	41.2	Very low	36.1	Very low	229 Å²	229	143.7 Å²	143.7	86%	0.864	77%	0.77	S	S	*	*			trans	81.7	146.2	175.3	-50.4	176.2	178.5	-171.5	-0.1	113.8
891	K	40.1	Very low	36.1	Very low	176 Å²	176	144 Å²	144	77%	0.765	77%	0.772	S	S	*	*			cis	-163.7	163.2	-22.4	-123.5	-179.5	177.4	-179.2	0	109.2
892	L	37.6	Very low	36.8	Very low	129 Å²	129	137.1 Å²	137.1	68%	0.675	76%	0.76	S	S	*	*			trans	73.2	144.7	144.9	-77.8	168.5	0	0	0	122.3
893	L	40.3	Very low	36.6	Very low	106 Å²	106	140.4 Å²	140.4	56%	0.555	77%	0.768	S	S	*	*			trans	62.9	150.6	159.5	-59	168.4	0	0	0	119.7
894	K	37.2	Very low	36.6	Very low	155 Å²	155	139.4 Å²	139.4	67%	0.674	77%	0.772	S	S	*	*			cis	-169.9	120.3	-47.5	-117.6	-174.1	-163.1	169.3	0	107.8
895	T	39	Very low	36.7	Very low	114 Å²	114	139.1 Å²	139.1	70%	0.699	77%	0.77	S	S	*	*			trans	16.7	139	150.4	55.2	0	0	0	0	120.7
896	P	41	Very low	36.8	Very low	110 Å²	110	139.4 Å²	139.4	71%	0.714	77%	0.773	S	S	*	*				-157	146.2	63.7	40.3	-19	0	0	0	121.6
897	K	35.3	Very low	37.1	Very low	189 Å²	189	135.1 Å²	135.1	82%	0.822	75%	0.753	S	S	*	*				31.6	115.7	127.7	-50.9	167.9	-175.6	169	0	120.8
898	S	38.2	Very low	37.4	Very low	114 Å²	114	130.9 Å²	130.9	80%	0.797	73%	0.73	S	S	*	*				-178.3	135.9	121.5	36.2	0	0	0	0	110.1
899	V	34.1	Very low	37.5	Very low	121 Å²	121	131.7 Å²	131.7	73%	0.733	71%	0.713	S	S	*	*				71.5	122.6	52.8	178.9	0	0	0	0	110.1
900	Q	37.7	Very low	37.7	Very low	169 Å²	169	129 Å²	129	79%	0.79	69%	0.694	S	S	*	*			cis	-152.8	169.7	36.7	-153.9	148.1	70.9	0	0	114.6
901	T	34.6	Very low	37.6	Very low	129 Å²	129	124.6 Å²	124.6	79%	0.791	68%	0.681	S	S	*	*			trans	-99.8	-144.7	168.6	49.3	0	0	0	0	111.6
902	P	45.5	Very low	37.4	Very low	104 Å²	104	124.3 Å²	124.3	68%	0.675	68%	0.68	S	S	*	*				-119.7	172.6	-120.6	38.7	-21.1	0	0	0	115.3
903	R	32.6	Very low	37.3	Very low	232 Å²	232	125.1 Å²	125.1	88%	0.875	68%	0.684	S	S	*	*			trans	156.5	146.6	136.9	-88.6	161.4	167	154.5	-3.6	114.7
904	V	34.4	Very low	37.3	Very low	127 Å²	127	128.1 Å²	128.1	77%	0.77	70%	0.696	S	S	*	*			trans	10.1	137.5	140.1	-165.4	0	0	0	0	120
905	S	33.9	Very low	37.5	Very low	119 Å²	119	125.6 Å²	125.6	83%	0.832	70%	0.695	S	S	*	*			trans	65.9	150.3	168.6	51	0	0	0	0	116.4
906	G	34.3	Very low	37.4	Very low	76 Å²	76	125 Å²	125	78%	0.784	70%	0.695	S	S	*	*			cis	-150.3	-172.9	3	0	0	0	0	0	112.7
907	V	40.8	Very low	37.3	Very low	75 Å²	75	124.2 Å²	124.2	46%	0.455	69%	0.689	S	S	.	*			trans	-85.1	135.4	169.7	166.8	0	0	0	0	108.1	E420 D421 M422	E420-V907 VanDerWaalsContact O-CG1 3.28Å; E420-V907 WeakPolarHBondContact O-CG1 3.17Å; D421-V907 WeakPolarHBondContact O-CG1 3.4Å; M422-V907 HydrophobicContact CE-CG2 3.94Å; M422-V907 HydrophobicContact CG-CB 4.35Å; M422-V907 HydrophobicContact CG-CG1 3.85Å; M422-V907 HydrophobicContact CG-CG2 3.59Å; M422-V907 HydrophobicContact SD-CG2 3.77Å
908	S	38.2	Very low	37.6	Very low	62 Å²	62	122.9 Å²	122.9	43%	0.434	68%	0.683	S	S	.	*				-171.3	148.9	122.3	-71.5	0	0	0	0	112.6	A419 E420	A419-S908 VanDerWaalsContact CA-OG 3.25Å; A419-S908 WeakPolarHBondContact CA-OG 3.38Å; A419-S908 PolarHBondContact N-OG 2.79Å; A419-S908 VanDerWaalsContact O-CB 3.26Å; A419-S908 WeakPolarHBondContact O-CB 3.27Å; A419-S908 PolarHBondContact O-OG 3.38Å; E420-S908 WeakPolarHBondContact O-CA 3.31Å
909	E	37.7	Very low	37.6	Very low	93 Å²	93	127.1 Å²	127.1	44%	0.435	68%	0.681	S	S	.	*			trans	30	162.7	141.1	-81.8	-163	177.6	0	0	123.7	A419 E420	A419-E909 WeakPolarHBondContact O-CB 2.93Å; A419-E909 WeakPolarHBondContact O-CG 3.22Å; E420-E909 HydrophobicContact CB-CG 4.07Å; E420-E909 WeakPolarHBondContact CB-OE1 3.08Å; E420-E909 PolarHBondContact O-N 2.8Å
910	L	37.3	Very low	37.8	Very low	81 Å²	81	128 Å²	128	42%	0.424	68%	0.677	S	S	.	*			cis	-170.5	-179	-36	-122.7	-177.9	0	0	0	106.4	D421	D421-L910 HydrophobicContact CB-CG 4.46Å
911	F	40.4	Very low	37.7	Very low	136 Å²	136	130.9 Å²	130.9	60%	0.596	68%	0.681	S	S	*	*			trans	70.7	108.5	167.8	-51.4	-55.8	0	0	0	113.6
912	K	35.8	Very low	37.7	Very low	170 Å²	170	126.5 Å²	126.5	74%	0.739	66%	0.661	S	S	*	*				88.8	147.6	78.8	-87	-177.6	-178.5	-175.8	0	111
913	D	34.1	Very low	37.4	Very low	145 Å²	145	130.7 Å²	130.7	78%	0.775	66%	0.663	S	S	*	*			cis	-125.4	175.8	13.2	-94.4	-58.3	0	0	0	115
914	E	40.2	Very low	37.6	Very low	170 Å²	170	124.2 Å²	124.2	79%	0.794	65%	0.651	S	S	*	*			trans	-79.5	-164.5	165.3	-124.3	-156.9	-137.6	0	0	109.4
915	P	41.6	Very low	37.6	Very low	101 Å²	101	124 Å²	124	66%	0.656	66%	0.655	S	S	*	*			cis	-138.1	-176.2	10.6	42.2	-22.5	0	0	0	117.4
916	S	36.6	Very low	37.6	Very low	101 Å²	101	123.1 Å²	123.1	71%	0.706	65%	0.649	S	S	*	*			trans	95.5	165.7	141.3	89.1	0	0	0	0	121.7
917	V	39.7	Very low	37.9	Very low	95 Å²	95	125.4 Å²	125.4	58%	0.576	65%	0.648	S	S	*	*				-166.9	162.8	-106.8	143.2	0	0	0	0	115.5
918	K	41.5	Very low	38.4	Very low	160 Å²	160	127 Å²	127	70%	0.696	66%	0.659	S	S	*	*			trans	92.8	145.8	150.5	-96.5	161.3	-142.3	156.3	0	123.4
919	R	39.6	Very low	38.8	Very low	203 Å²	203	129.2 Å²	129.2	77%	0.766	67%	0.672	S	S	*	*			trans	81.4	123.5	149.3	-73.1	157.9	177.9	174.9	-4.4	117.1
920	H	36.7	Very low	39	Very low	139 Å²	139	130 Å²	130	64%	0.644	68%	0.684	S	S	*	*				75.9	147.5	58.1	-66.6	-56	0	0	0	111.8
921	R	37.1	Very low	39.1	Very low	231 Å²	231	132.1 Å²	132.1	87%	0.872	70%	0.695	S	S	*	*			cis	-170.3	178	33.9	-144.7	177.9	-164.1	178.7	0.2	109.7
922	G	34.1	Very low	39	Very low	36 Å²	36	132.5 Å²	132.5	37%	0.371	70%	0.703	S	S	.	*			trans	141.8	143	160.8	0	0	0	0	0	114.2	V1924	G922-V1924 WeakPolarHBondContact O-CG1 3.5Å; G922-V1924 WeakPolarHBondContact O-CG2 3.35Å
923	R	38.7	Very low	39.1	Very low	193 Å²	193	128.9 Å²	128.9	73%	0.728	70%	0.695	S	S	*	*			trans	-140.7	-170.9	-178.5	-147.2	-168	161.9	-156.3	-2.5	105.3
924	P	38.1	Very low	39.6	Very low	96 Å²	96	129.9 Å²	129.9	62%	0.623	70%	0.695	S	S	*	*			cis	-140.9	-154.1	-12.2	45	-23.6	0	0	0	115.3
925	S	32.3	Very low	39.6	Very low	121 Å²	121	127 Å²	127	85%	0.846	69%	0.689	S	S	*	*			trans	70.3	150.4	164.9	-79.2	0	0	0	0	119.5
926	S	34.4	Very low	40	Very low	101 Å²	101	130 Å²	130	71%	0.706	70%	0.695	S	S	*	*			cis	-144.3	-174.8	-4.3	68.1	0	0	0	0	109.6
927	V	42	Very low	40.3	Very low	125 Å²	125	128.6 Å²	128.6	76%	0.758	69%	0.689	S	S	*	*			cis	82	138.8	7	-175.9	0	0	0	0	116.2
928	P	50.3	Low	40.5	Very low	107 Å²	107	129.7 Å²	129.7	70%	0.695	70%	0.696	S	S	*	*			cis	-90.6	-132	-3.2	43.1	-38.3	0	0	0	112.4
929	P	47.7	Very low	40.6	Very low	110 Å²	110	128 Å²	128	71%	0.714	70%	0.698	S	S	*	*			cis	-94.8	-170.6	0.6	43.6	-39.1	0	0	0	113.7
930	T	40.5	Very low	41.1	Very low	109 Å²	109	124.2 Å²	124.2	67%	0.669	70%	0.7	S	S	*	*			cis	80.1	144.6	11.7	60.4	0	0	0	0	118.5
931	D	39.1	Very low	41.2	Very low	125 Å²	125	124.7 Å²	124.7	67%	0.668	70%	0.703	S	S	*	*			cis	-146.7	134.7	-14.6	-91.1	-22.8	0	0	0	111.8
932	L	38	Very low	41.2	Very low	144 Å²	144	120 Å²	120	75%	0.754	69%	0.692	S	S	*	*				83.7	157.9	106.1	-64	177.8	0	0	0	116.2
933	T	39.5	Very low	41.1	Very low	95 Å²	95	122.6 Å²	122.6	58%	0.583	71%	0.705	S	S	*	*			cis	-153.6	135.8	2.3	7.8	0	0	0	0	108.8
934	E	43.3	Very low	40.9	Very low	166 Å²	166	120.4 Å²	120.4	78%	0.776	71%	0.707	S	S	*	*				83.9	148.9	108.2	-67.8	-177.2	168.7	0	0	117.5
935	T	40.2	Very low	40.7	Very low	108 Å²	108	120.6 Å²	120.6	66%	0.663	71%	0.711	S	S	*	*			cis	-159.9	165.1	-8	12.9	0	0	0	0	115
936	E	51.1	Low	40.6	Very low	166 Å²	166	120 Å²	120	78%	0.776	71%	0.707	S	S	*	*			trans	76.4	158.3	145	-85.7	-20.9	80.7	0	0	123.5
937	A	42.6	Very low	40.5	Very low	70 Å²	70	120.2 Å²	120.2	58%	0.579	70%	0.703	S	S	*	*			cis	-157	-178	-4.3	0	0	0	0	0	114.5
938	V	44.9	Very low	40.1	Very low	119 Å²	119	124.2 Å²	124.2	72%	0.721	71%	0.705	S	S	*	*			trans	57.6	87.8	158.5	-163.3	0	0	0	0	117.8
939	T	42.7	Very low	39.4	Very low	123 Å²	123	126.1 Å²	126.1	76%	0.755	70%	0.702	S	S	*	*				66.6	141.9	72.5	69.5	0	0	0	0	116.6
940	P	50.1	Low	38.7	Very low	124 Å²	124	127.7 Å²	127.7	81%	0.805	70%	0.7	S	S	*	*			cis	-85.9	-151.8	1.7	39.7	-39.5	0	0	0	112.3
941	E	38.3	Very low	38.4	Very low	150 Å²	150	128.3 Å²	128.3	70%	0.701	71%	0.709	S	S	*	*			cis	-147.6	163.9	5.6	-125	-121.6	106.8	0	0	106.8	S943	E941-S943 PolarHBondContact OE1-N 2.68Å
942	M	36.7	Very low	38.3	Very low	132 Å²	132	126 Å²	126	65%	0.65	72%	0.715	S	S	*	*			cis	74.2	157.6	25.9	-62.8	-53.3	116.6	0	0	116.1	L944	M942-L944 HydrophobicContact CE-CD1 4.13Å; M942-L944 HydrophobicContact SD-CD1 3.89Å
943	S	33.3	Very low	38.3	Very low	91 Å²	91	123.9 Å²	123.9	64%	0.636	70%	0.703	S	S	*	*			cis	-123.9	111.5	-47.4	69.6	0	0	0	0	112.2	E941	E941-S943 PolarHBondContact OE1-N 2.68Å
944	L	34.7	Very low	38.1	Very low	147 Å²	147	123 Å²	123	77%	0.77	70%	0.698	S	S	*	*				79.2	142.1	88.9	-72.8	177.6	0	0	0	114.5	M942	M942-L944 HydrophobicContact CE-CD1 4.13Å; M942-L944 HydrophobicContact SD-CD1 3.89Å
945	S	32.1	Very low	37.7	Very low	100 Å²	100	118.2 Å²	118.2	70%	0.699	69%	0.694	S	S	*	*			cis	-163.6	176.9	2.7	52.6	0	0	0	0	113.7
946	S	31.2	Very low	37.5	Very low	109 Å²	109	118.4 Å²	118.4	76%	0.762	69%	0.694	S	S	*	*			trans	107	130.2	132.6	-162.2	0	0	0	0	119.8
947	V	33.1	Very low	36.8	Very low	105 Å²	105	121.4 Å²	121.4	64%	0.636	70%	0.698	S	S	*	*			cis	-166.6	130.7	-36.2	113.8	0	0	0	0	111
948	R	32.4	Very low	36.6	Very low	209 Å²	209	125.4 Å²	125.4	79%	0.789	70%	0.703	S	S	*	*			trans	59	170.4	155.5	-60.7	171.7	171.3	156.9	-4.2	116.9
949	K	36.3	Very low	36.1	Very low	147 Å²	147	126.2 Å²	126.2	64%	0.639	70%	0.702	S	S	*	*			cis	-151.5	128.6	4.8	-144.9	155.2	-175.7	-177.6	0	114.4
950	E	33.7	Very low	35.8	Very low	143 Å²	143	126.5 Å²	126.5	67%	0.668	70%	0.699	S	S	*	*			trans	47.6	124.7	139.7	-69.6	148.9	-138.8	0	0	125.8
951	S	34.3	Very low	35.2	Very low	122 Å²	122	127 Å²	127	85%	0.853	69%	0.688	S	S	*	*				88.2	156	125.3	81.9	0	0	0	0	123.8
952	G	36.4	Very low	35.3	Very low	77 Å²	77	125.3 Å²	125.3	79%	0.794	69%	0.688	S	S	*	*			trans	137.3	81.7	155.5	0	0	0	0	0	119.2
953	L	37.5	Very low	35.2	Very low	99 Å²	99	124.5 Å²	124.5	52%	0.518	69%	0.693	S	S	.	*			trans	-101	135.3	-173.1	-85.7	168.9	0	0	0	118	V1597	L953-V1597 HydrophobicContact CD1-CG2 4.09Å
954	T	35.2	Very low	35.4	Very low	75 Å²	75	129.8 Å²	129.8	46%	0.46	70%	0.704	S	S	.	*			trans	75.2	160.7	147.7	73	0	0	0	0	121.1	R1593	T954-R1593 VanDerWaalsContact CG2-NH1 3.33Å
955	G	34.6	Very low	35.5	Very low	67 Å²	67	124.9 Å²	124.9	69%	0.691	68%	0.682	S	S	*	*			trans	173.2	23.5	179.4	0	0	0	0	0	125.9
956	V	36.5	Very low	35.8	Very low	111 Å²	111	122.1 Å²	122.1	67%	0.673	66%	0.661	S	S	*	*			trans	61.1	137	157.8	-175.8	0	0	0	0	122.1
957	R	36.2	Very low	36.1	Very low	229 Å²	229	121.8 Å²	121.8	86%	0.864	65%	0.648	S	S	*	*			trans	-49.1	136	172.9	-56.3	165.4	175.4	164.4	-3.4	116.2
958	K	38.1	Very low	36.1	Very low	154 Å²	154	119.4 Å²	119.4	67%	0.67	63%	0.633	S	S	*	*				175.3	134.3	121.3	-98.2	169	-170.7	173.7	0	115.7	H1590	K958-H1590 PolarHBondContact NZ-CE1 3.48Å; K958-H1590 PolarHBondContact NZ-NE2 2.77Å
959	L	35	Very low	36.6	Very low	136 Å²	136	114.4 Å²	114.4	71%	0.712	63%	0.628	S	S	*	*			trans	75.4	133.2	142.7	-71.1	170.8	0	0	0	123.6
960	L	36.6	Very low	36.5	Very low	130 Å²	130	116.3 Å²	116.3	68%	0.681	63%	0.631	S	S	*	*			trans	85.9	103.1	146.1	-64.3	159	0	0	0	123.2
961	K	36.7	Very low	36.6	Very low	134 Å²	134	116.1 Å²	116.1	58%	0.583	64%	0.639	S	S	*	*				67.5	77	126.4	-71	176.9	178.7	174.8	0	121.7	K426	K426-K961 HydrophobicContact CD-CB 4.34Å; K426-K961 HydrophobicContact CD-CD 4.13Å; K426-K961 HydrophobicContact CD-CG 4.25Å; K426-K961 PolarHBondContact NZ-O 2.85Å
962	T	40.7	Very low	36.6	Very low	115 Å²	115	115.9 Å²	115.9	71%	0.706	64%	0.638	S	S	*	*			trans	16.9	135.5	143.6	54.6	0	0	0	0	121.8	K426	K426-T962 PolarHBondContact NZ-O 3.08Å; K426-T962 PolarHBondContact NZ-OG1 3.21Å
963	P	35.4	Very low	36.5	Very low	114 Å²	114	115.5 Å²	115.5	74%	0.74	63%	0.634	S	S	*	*				-149.6	147	103.5	32.3	-13.9	0	0	0	115.3
964	K	37.4	Very low	36.6	Very low	202 Å²	202	117.4 Å²	117.4	88%	0.878	65%	0.649	S	S	*	*			trans	-89	153.5	175.3	-75.3	-171.3	175.4	-177.1	0	112.6
965	S	35.4	Very low	36.7	Very low	45 Å²	45	119 Å²	119	32%	0.315	66%	0.663	S	S	.	*			trans	-153.4	-176.6	-168.4	58.7	0	0	0	0	117.7	R1258	S965-R1258 WeakPolarHBondContact CB-O 3.38Å; S965-R1258 PolarHBondContact OG-O 2.91Å
966	V	38.5	Very low	36.8	Very low	42 Å²	42	123.7 Å²	123.7	26%	0.255	67%	0.667	S	S	.	*			trans	-78.6	139.7	-161.1	159.3	0	0	0	0	115.7	R1258 S1261	V966-R1258 PolarHBondContact O-NH2 2.78Å; V966-S1261 VanDerWaalsContact CG2-O 3.26Å; V966-S1261 WeakPolarHBondContact CG2-O 3.06Å
967	Q	37.9	Very low	36.9	Very low	102 Å²	102	122.9 Å²	122.9	48%	0.477	66%	0.659	S	S	.	*			trans	52.7	161.8	154.8	-72.9	169.2	-24.5	0	0	121.8	R1258	Q967-R1258 PolarHBondContact O-NH2 3.19Å
968	T	34.2	Very low	37.1	Very low	54 Å²	54	120.6 Å²	120.6	33%	0.331	66%	0.655	S	S	.	*			trans	-99.8	173.7	-167.3	39.3	0	0	0	0	114.5	R1024	T968-R1024 HydrophobicContact CG2-CB 3.94Å; T968-R1024 WeakPolarHBondContact CG2-O 3.49Å; T968-R1024 PolarHBondContact OG1-O 2.65Å; T968-R1024 VanDerWaalsContact OG1-O 3.1Å
969	P	41.2	Very low	37.2	Very low	104 Å²	104	121.9 Å²	121.9	68%	0.675	66%	0.661	S	S	*	*			trans	-106.7	124.9	149.1	34.1	-21.6	0	0	0	111.3	V971	P969-V971 HydrophobicContact CB-CG2 4.46Å
970	R	34.3	Very low	37.4	Very low	187 Å²	187	121.9 Å²	121.9	71%	0.706	66%	0.662	S	S	*	*			trans	-83.9	144	135.9	-101.1	178.9	164.8	171.8	-4.6	105.6	T1021 G1022	R970-T1021 PolarHBondContact NH2-O 2.86Å; R970-G1022 WeakPolarHBondContact CG-O 3.45Å; R970-G1022 VanDerWaalsContact NE-CA 3.34Å
971	V	37.1	Very low	37.9	Very low	139 Å²	139	124.2 Å²	124.2	84%	0.842	67%	0.669	S	S	*	*			trans	-134.2	136.7	159.7	-177.3	0	0	0	0	105.4	P969	P969-V971 HydrophobicContact CB-CG2 4.46Å
972	S	33.6	Very low	38.4	Very low	118 Å²	118	122 Å²	122	83%	0.825	67%	0.669	S	S	*	*			trans	-126.8	159.2	-174.4	48.5	0	0	0	0	109.7
973	G	34.9	Very low	38.5	Very low	69 Å²	69	121.2 Å²	121.2	71%	0.711	67%	0.667	S	S	*	*			trans	125.9	138.7	-175.1	0	0	0	0	0	110.2
974	V	38.2	Very low	39.1	Very low	139 Å²	139	120.9 Å²	120.9	84%	0.842	66%	0.663	S	S	*	*			cis	-138.6	149.3	-0.8	177.3	0	0	0	0	108.7
975	S	38.1	Very low	39.6	Very low	107 Å²	107	118.7 Å²	118.7	75%	0.748	65%	0.654	S	S	*	*			trans	-121.9	141.6	177.4	48.5	0	0	0	0	109
976	E	37.4	Very low	40.2	Very low	166 Å²	166	126.6 Å²	126.6	78%	0.776	68%	0.677	S	S	*	*			trans	-168.7	170.1	166	-119.2	158	-131.4	0	0	112.3	F978	E976-F978 HydrophobicContact CG-CE2 4.38Å
977	L	37.6	Very low	40.5	Very low	95 Å²	95	131 Å²	131	50%	0.497	69%	0.694	S	S	.	*			trans	76.2	90.4	-170.1	-52.9	169.1	0	0	0	112.2	K1293	L977-K1293 WeakPolarHBondContact CD2-O 3.44Å
978	F	41.2	Very low	40.7	Very low	180 Å²	180	136.4 Å²	136.4	79%	0.789	71%	0.71	S	S	*	*				56.8	105.5	71.2	-62.3	-73.5	0	0	0	110.1	E976	E976-F978 HydrophobicContact CG-CE2 4.38Å
979	K	40.7	Very low	40.6	Very low	181 Å²	181	135.9 Å²	135.9	79%	0.787	72%	0.716	S	S	*	*				-169.9	171.8	72	-96.1	-179.9	165.4	-146.9	0	110.4
980	D	37.5	Very low	40.7	Very low	136 Å²	136	136 Å²	136	73%	0.727	70%	0.703	S	S	*	*			cis	-133.9	176.8	7	-95.4	-50.4	0	0	0	111.9
981	E	47.3	Very low	40.6	Very low	179 Å²	179	132.3 Å²	132.3	84%	0.836	70%	0.703	S	S	*	*			trans	-98.9	-168.5	178.3	-125.6	-162.4	165.2	0	0	110.6
982	P	47.3	Very low	40.1	Very low	89 Å²	89	131 Å²	131	58%	0.578	70%	0.7	S	S	*	*			cis	-138.4	-177.3	-16.9	38	-19.1	0	0	0	115.8
983	S	43.9	Very low	39.8	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	70%	0.697	S	S	*	*			trans	76.5	146	140.8	81.1	0	0	0	0	119.5
984	V	47.6	Very low	40.3	Very low	108 Å²	108	134 Å²	134	66%	0.655	70%	0.703	S	S	*	*			cis	-156.6	137.7	-1.8	106.6	0	0	0	0	114.9
985	K	48.5	Very low	40.1	Very low	156 Å²	156	132.4 Å²	132.4	68%	0.678	70%	0.696	S	S	*	*			trans	50.8	122.9	151	-65.6	157.9	-169.7	168.1	0	123.3
986	R	46.5	Very low	40	Very low	211 Å²	211	132 Å²	132	80%	0.796	69%	0.691	S	S	*	*				67.3	113.8	129.6	-60.8	171	-178.9	179.8	-2.5	118.5
987	H	44.9	Very low	39.9	Very low	133 Å²	133	129.4 Å²	129.4	62%	0.616	69%	0.686	S	S	*	*				66.9	80.8	71.4	-69.8	-47.4	0	0	0	117	L1011	H987-L1011 HydrophobicContact CB-CD1 4.16Å
988	R	42.6	Very low	39.7	Very low	217 Å²	217	131.2 Å²	131.2	82%	0.819	70%	0.696	S	S	*	*				177.9	165	129.7	-93.9	165.5	-174.3	-166.2	2.4	108.4
989	G	32.4	Very low	39.4	Very low	43 Å²	43	129.1 Å²	129.1	44%	0.443	69%	0.693	S	S	.	*			trans	101.9	114.5	177.4	0	0	0	0	0	118.3	S1010	G989-S1010 PolarHBondContact N-OG 2.88Å; G989-S1010 VanDerWaalsContact N-OG 3.14Å
990	R	43.8	Very low	39.3	Very low	107 Å²	107	125.6 Å²	125.6	40%	0.404	69%	0.686	S	S	.	*			trans	-130.7	123.5	157.4	165.1	-165.4	-164.2	-143.4	11.6	102	V1958	R990-V1958 HydrophobicContact CB-CG1 4.43Å; R990-V1958 HydrophobicContact CG-CB 4.46Å; R990-V1958 HydrophobicContact CG-CG1 3.99Å; R990-V1958 HydrophobicContact CG-CG2 4.11Å
991	P	30.3	Very low	39.6	Very low	109 Å²	109	126.6 Å²	126.6	71%	0.708	69%	0.687	S	S	*	*	S	Bend		-147.3	-131.5	79.4	40.9	-20.7	0	0	0	113
992	S	28.5	Very low	39.3	Very low	112 Å²	112	123.4 Å²	123.4	78%	0.783	68%	0.68	S	S	*	*			trans	-58.3	145.4	165.2	42.1	0	0	0	0	111.6
993	S	27.3	Very low	39.3	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	69%	0.692	S	S	*	*			trans	-151.2	87.1	166.6	60	0	0	0	0	109.8
994	V	43.6	Very low	39.3	Very low	141 Å²	141	126 Å²	126	86%	0.855	68%	0.684	S	S	*	*			trans	-72.9	130.3	146.4	175.1	0	0	0	0	105.8
995	P	35.9	Very low	38.9	Very low	105 Å²	105	126 Å²	126	68%	0.682	68%	0.684	S	S	*	*				-139	170.3	121.7	33.9	-19.1	0	0	0	111.5
996	P	36	Very low	38.7	Very low	99 Å²	99	124.5 Å²	124.5	64%	0.643	69%	0.688	S	S	*	*			cis	-123.1	177.9	7.9	38.4	-22.3	0	0	0	114.7
997	T	33.8	Very low	38.7	Very low	111 Å²	111	119.5 Å²	119.5	68%	0.681	68%	0.683	S	S	*	*			trans	45	120	144.8	51.8	0	0	0	0	117.8
998	D	33.1	Very low	38.4	Very low	133 Å²	133	121 Å²	121	71%	0.711	69%	0.691	S	S	*	*			cis	-160.2	156.9	30.4	-88.1	-31.4	0	0	0	109.9
999	L	36.2	Very low	38.1	Very low	137 Å²	137	114.3 Å²	114.3	72%	0.717	67%	0.669	S	S	*	*			cis	-152.2	154.7	1.4	-104.1	153.6	0	0	0	109
1000	T	39	Very low	38.1	Very low	106 Å²	106	113.9 Å²	113.9	65%	0.65	66%	0.66	S	S	*	*			trans	39	131.7	150.9	60.2	0	0	0	0	122
1001	E	42.5	Very low	37.7	Very low	158 Å²	158	111 Å²	111	74%	0.738	65%	0.652	S	S	*	*			cis	-169.8	170.6	-13.2	-87	-47.8	-72.9	0	0	104.9
1002	T	42.2	Very low	38	Very low	112 Å²	112	107.8 Å²	107.8	69%	0.687	63%	0.633	S	S	*	*			cis	-170.1	135.7	-42.2	-89.8	0	0	0	0	105.8
1003	E	46.9	Very low	38.3	Very low	176 Å²	176	105 Å²	105	82%	0.822	61%	0.613	S	S	*	*			trans	-155.2	175.1	-171.2	-125.5	-68.4	80.3	0	0	113.7
1004	A	42.8	Very low	38.8	Very low	63 Å²	63	101.5 Å²	101.5	52%	0.521	59%	0.587	S	S	.	*			trans	-54.3	170.9	168.9	0	0	0	0	0	113.8
1005	V	41	Very low	38.6	Very low	109 Å²	109	100.3 Å²	100.3	66%	0.661	57%	0.567	S	S	*	*			cis	-127.3	138.7	18.2	-172.4	0	0	0	0	112.1
1006	T	43.7	Very low	38.7	Very low	124 Å²	124	102.1 Å²	102.1	76%	0.761	56%	0.564	S	S	*	*			trans	-88	156.9	178.3	51.3	0	0	0	0	112.2
1007	P	47	Very low	38.9	Very low	107 Å²	107	105.1 Å²	105.1	70%	0.695	57%	0.57	S	S	*	*			cis	-147.6	-178.1	-37.2	40.5	-22.9	0	0	0	116.7
1008	E	36.9	Very low	39	Very low	164 Å²	164	105.9 Å²	105.9	77%	0.766	58%	0.58	S	S	*	*			trans	79.2	147.2	149.7	-65.7	-127.4	153.5	0	0	124.1
1009	M	36.2	Very low	39.1	Very low	76 Å²	76	103.2 Å²	103.2	37%	0.374	58%	0.583	S	S	.	*			cis	-165.1	-129.7	-20	-159.1	-141	-74.1	0	0	116.3	K1959	M1009-K1959 PolarHBondContact O-NZ 2.62Å
1010	S	34.4	Very low	39.2	Very low	35 Å²	35	104.4 Å²	104.4	25%	0.245	59%	0.589	C	S	.	*			trans	-104.2	174	-148.3	69.9	0	0	0	0	121.6	G989 K1959	G989-S1010 PolarHBondContact N-OG 2.88Å; G989-S1010 VanDerWaalsContact N-OG 3.14Å; S1010-K1959 VanDerWaalsContact C-NZ 3.25Å; S1010-K1959 WeakPolarHBondContact O-CE 3.32Å; S1010-K1959 PolarHBondContact O-NZ 3.12Å
1011	L	34.5	Very low	39.1	Very low	45 Å²	45	105.4 Å²	105.4	24%	0.236	60%	0.596	C	S	.	*			cis	-125.4	-164.6	4.2	-79.4	164.7	0	0	0	111.1	H987 K1959	H987-L1011 HydrophobicContact CB-CD1 4.16Å; L1011-K1959 WeakPolarHBondContact O-CE 3.36Å; L1011-K1959 WeakPolarHBondContact O-CG 2.93Å
1012	S	35.8	Very low	38.9	Very low	43 Å²	43	99.1 Å²	99.1	30%	0.301	57%	0.573	S	S	.	*			cis	75.7	161.2	7.8	55.8	0	0	0	0	119
1013	S	35.9	Very low	38.7	Very low	54 Å²	54	98 Å²	98	38%	0.378	57%	0.566	S	S	.	*			cis	-167	158.4	21.6	57.2	0	0	0	0	118.7	V1273 T1274	S1013-V1273 CarbonylContact C-O 3.54Å; S1013-T1274 CarbonylContact C-O 3.43Å; S1013-T1274 WeakPolarHBondContact CA-O 3.45Å
1014	V	38	Very low	38.5	Very low	34 Å²	34	98.4 Å²	98.4	21%	0.206	56%	0.56	C	S	.	*			trans	88.2	128.2	163.1	-159.8	0	0	0	0	126.5	V1273 T1274 P1275 L1950 L1951	V1014-V1273 CarbonylContact C-O 3.57Å; V1014-V1273 WeakPolarHBondContact CA-O 3.37Å; V1014-V1273 PolarHBondContact N-O 2.8Å; V1014-T1274 PolarHBondContact N-O 2.73Å; V1014-P1275 VanDerWaalsContact N-CD 3.27Å; V1014-L1950 HydrophobicContact CB-CD2 3.71Å; V1014-L1950 HydrophobicContact CG1-CD2 3.54Å; V1014-L1950 HydrophobicContact CG2-CD2 3.81Å; V1014-L1951 HydrophobicContact CG1-CD2 4.22Å; V1014-L1951 HydrophobicContact CG2-CD2 4.17Å
1015	R	38.8	Very low	38.6	Very low	115 Å²	115	101.1 Å²	101.1	43%	0.434	56%	0.56	S	S	.	*			trans	-61.9	165.6	179.3	-71.4	178.6	165.6	-169.1	-5.8	118.6	T1274 D1952 H1953 S1954	R1015-T1274 HydrophobicContact CG-CG2 3.77Å; R1015-D1952 WeakPolarHBondContact CD-O 3.5Å; R1015-D1952 PolarHBondContact NH1-O 3.32Å; R1015-H1953 PolarHBondContact NH1-O 2.57Å; R1015-H1953 PolarHBondContact NH2-O 3.27Å; R1015-H1953 VanDerWaalsContact NH2-O 3.1Å; R1015-S1954 VanDerWaalsContact CZ-N 3.33Å; R1015-S1954 VanDerWaalsContact CZ-O 3.24Å; R1015-S1954 PolarHBondContact NE-O 2.75Å; R1015-S1954 VanDerWaalsContact NH2-N 3.14Å; R1015-S1954 PolarHBondContact NH2-O 2.89Å
1016	K	38.8	Very low	38.5	Very low	144 Å²	144	100.5 Å²	100.5	63%	0.626	55%	0.553	S	S	*	*				179.5	-172.7	110.3	-107.3	179.5	169	178.4	0	116.6	L1951	K1016-L1951 VanDerWaalsContact CE-O 3.31Å; K1016-L1951 WeakPolarHBondContact CE-O 3.38Å; K1016-L1951 PolarHBondContact NZ-O 3.28Å
1017	E	39.9	Very low	38.2	Very low	162 Å²	162	97.1 Å²	97.1	76%	0.757	53%	0.53	S	S	*	.			trans	-107.8	168.2	-155.6	-51.5	159.6	95.6	0	0	116.8
1018	S	36.2	Very low	37.8	Very low	127 Å²	127	96.9 Å²	96.9	89%	0.888	52%	0.518	S	S	*	.			trans	55.7	152.5	149	90.8	0	0	0	0	121.3
1019	G	34.7	Very low	38.1	Very low	76 Å²	76	93.1 Å²	93.1	78%	0.784	51%	0.506	S	S	*	.			trans	157.7	88.5	175.5	0	0	0	0	0	115.3
1020	L	37.9	Very low	37.8	Very low	162 Å²	162	95.3 Å²	95.3	85%	0.848	53%	0.526	S	S	*	.			trans	-77.6	166.2	-171	-79.9	169	0	0	0	116
1021	T	36.7	Very low	37.9	Very low	128 Å²	128	103.2 Å²	103.2	79%	0.785	56%	0.556	S	S	*	*			trans	71.8	160.9	164.4	85.1	0	0	0	0	117.2	R970	R970-T1021 PolarHBondContact NH2-O 2.86Å
1022	G	37.8	Very low	37.6	Very low	26 Å²	26	104.7 Å²	104.7	27%	0.268	57%	0.57	S	S	.	*			trans	155.5	-0.7	165.8	0	0	0	0	0	120.9	R970	R970-G1022 WeakPolarHBondContact CG-O 3.45Å; R970-G1022 VanDerWaalsContact NE-CA 3.34Å
1023	V	38.4	Very low	37.4	Very low	89 Å²	89	108.2 Å²	108.2	54%	0.539	59%	0.589	S	S	.	*			trans	59.5	92.2	157.3	-175.2	0	0	0	0	117
1024	R	42.7	Very low	37.3	Very low	183 Å²	183	114.3 Å²	114.3	69%	0.691	61%	0.612	S	S	*	*			trans	74.2	143.5	130.6	-67	176.6	177.1	149.8	-2.9	120.8	T968	T968-R1024 HydrophobicContact CG2-CB 3.94Å; T968-R1024 WeakPolarHBondContact CG2-O 3.49Å; T968-R1024 PolarHBondContact OG1-O 2.65Å; T968-R1024 VanDerWaalsContact OG1-O 3.1Å
1025	K	44.8	Very low	37.2	Very low	120 Å²	120	119 Å²	119	52%	0.522	64%	0.641	S	S	.	*			trans	69	104.4	150.1	-71.8	158.3	-173.5	170.9	0	113.7	L1027	K1025-L1027 HydrophobicContact CB-CD1 4.33Å
1026	L	40.3	Very low	37.2	Very low	96 Å²	96	118.7 Å²	118.7	50%	0.503	65%	0.654	S	S	.	*				52.2	129	80.4	-59.3	160.7	0	0	0	111	P1264	L1026-P1264 HydrophobicContact CD2-CB 3.71Å
1027	L	37.4	Very low	37	Very low	54 Å²	54	121.7 Å²	121.7	28%	0.283	66%	0.661	S	S	.	*				174.4	92.7	95.7	-93.9	115	0	0	0	110.6	K1025 S1261 V1262 P1263	K1025-L1027 HydrophobicContact CB-CD1 4.33Å; L1027-S1261 WeakPolarHBondContact CB-O 3.32Å; L1027-S1261 VanDerWaalsContact CD2-C 3.4Å; L1027-V1262 CarbonylContact C-O 3.4Å; L1027-V1262 WeakPolarHBondContact CA-O 3.38Å; L1027-V1262 WeakPolarHBondContact CB-O 3.12Å; L1027-V1262 VanDerWaalsContact CD2-C 3.44Å; L1027-V1262 VanDerWaalsContact CD2-CA 3.48Å; L1027-V1262 WeakPolarHBondContact CD2-O 3.03Å; L1027-V1262 VanDerWaalsContact CG-O 3.26Å; L1027-V1262 WeakPolarHBondContact CG-O 3.18Å; L1027-P1263 CarbonylContact C-O 3.56Å; L1027-P1263 VanDerWaalsContact CA-O 3.29Å; L1027-P1263 WeakPolarHBondContact CA-O 3.35Å
1028	K	37.1	Very low	37	Very low	102 Å²	102	120 Å²	120	44%	0.443	66%	0.661	S	S	.	*			trans	44.6	153.3	162.2	-96	177.9	176.6	154.2	0	126	V1262 P1263	K1028-V1262 HydrophobicContact CB-CB 4.34Å; K1028-V1262 HydrophobicContact CB-CG1 3.48Å; K1028-V1262 VanDerWaalsContact CB-CG1 3.48Å; K1028-V1262 WeakPolarHBondContact CB-O 3.25Å; K1028-V1262 HydrophobicContact CD-CB 4.15Å; K1028-V1262 HydrophobicContact CD-CG1 3.68Å; K1028-V1262 HydrophobicContact CD-CG2 3.95Å; K1028-V1262 HydrophobicContact CG-CG1 4.16Å; K1028-V1262 PolarHBondContact N-O 2.9Å; K1028-P1263 PolarHBondContact N-O 3.18Å
1029	T	43.4	Very low	36.8	Very low	85 Å²	85	119.2 Å²	119.2	52%	0.521	66%	0.656	S	S	.	*			trans	2.7	146.9	132.1	73.3	0	0	0	0	118.2
1030	P	31.4	Very low	36.8	Very low	122 Å²	122	118.5 Å²	118.5	79%	0.792	65%	0.649	S	S	*	*				-108.4	147	91.3	30.9	-35.8	0	0	0	113.3
1031	K	34.8	Very low	36.7	Very low	200 Å²	200	117 Å²	117	87%	0.87	65%	0.646	S	S	*	*			trans	-70.8	131.7	164.2	-59.6	-178.5	177.2	-169.3	0	108.2
1032	S	29.5	Very low	36.7	Very low	76 Å²	76	113.8 Å²	113.8	53%	0.531	63%	0.629	S	S	.	*			trans	-153.8	110.9	159.1	57.8	0	0	0	0	111.9
1033	V	30.2	Very low	36.5	Very low	117 Å²	117	116 Å²	116	71%	0.709	63%	0.632	S	S	*	*	S	Bend	trans	58.4	81.4	145.9	-166.1	0	0	0	0	116.5
1034	Q	34.4	Very low	36.3	Very low	182 Å²	182	117.3 Å²	117.3	85%	0.85	64%	0.636	S	S	*	*				-160.3	128.3	114.9	-104.8	165.1	2.6	0	0	109.2
1035	T	35.9	Very low	35.9	Very low	132 Å²	132	116.7 Å²	116.7	81%	0.81	64%	0.639	S	S	*	*			trans	-116	92.2	169.6	50.2	0	0	0	0	107.9	R1037	T1035-R1037 PolarHBondContact O-N 2.83Å; T1035-R1037 VanDerWaalsContact O-N 3.1Å
1036	P	40	Very low	35.7	Very low	109 Å²	109	119.8 Å²	119.8	71%	0.708	65%	0.652	S	S	*	*			trans	-63.8	112.5	166.1	28.4	-32.5	0	0	0	107.1	V1038	P1036-V1038 VanDerWaalsContact C-N 3.31Å; P1036-V1038 HydrophobicContact CB-CG2 4.2Å; P1036-V1038 PolarHBondContact O-N 2.99Å
1037	R	34.4	Very low	35.5	Very low	208 Å²	208	122 Å²	122	79%	0.785	66%	0.664	S	S	*	*			trans	-84.7	77.3	-172.6	-138.4	-180	-179.6	148.7	-1.4	109	T1035	T1035-R1037 PolarHBondContact O-N 2.83Å; T1035-R1037 VanDerWaalsContact O-N 3.1Å
1038	V	38.4	Very low	35.9	Very low	125 Å²	125	127 Å²	127	76%	0.758	69%	0.686	S	S	*	*			trans	-104.9	91	-176.9	-168.2	0	0	0	0	109.8	P1036	P1036-V1038 VanDerWaalsContact C-N 3.31Å; P1036-V1038 HydrophobicContact CB-CG2 4.2Å; P1036-V1038 PolarHBondContact O-N 2.99Å
1039	S	33.5	Very low	36.2	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	68%	0.684	S	S	*	*			trans	-122.4	106.4	166.8	58.4	0	0	0	0	107.2
1040	G	34.3	Very low	36	Very low	62 Å²	62	124 Å²	124	64%	0.639	68%	0.68	S	S	*	*	S	Bend	trans	79.7	106.2	-171.3	0	0	0	0	0	112.8
1041	V	35	Very low	36.7	Very low	130 Å²	130	123 Å²	123	79%	0.788	67%	0.671	S	S	*	*				23.5	107.7	112.8	-175.4	0	0	0	0	115
1042	S	37.9	Very low	37.1	Very low	61 Å²	61	122.2 Å²	122.2	43%	0.427	67%	0.668	S	S	.	*				36.5	121.4	126.1	-50.1	0	0	0	0	120
1043	E	32.7	Very low	37.5	Very low	72 Å²	72	128.2 Å²	128.2	34%	0.336	68%	0.679	S	S	.	*				43.5	125.3	114.6	-68.1	-172.9	-151.5	0	0	119.4	L1989 R1990 N1991	E1043-L1989 WeakPolarHBondContact OE1-CD2 3.17Å; E1043-R1990 WeakPolarHBondContact OE1-CA 3.45Å; E1043-N1991 WeakPolarHBondContact CB-ND2 3.16Å; E1043-N1991 WeakPolarHBondContact OE2-CB 3.33Å; E1043-N1991 PolarHBondContact OE2-ND2 3.15Å
1044	L	34.4	Very low	37.7	Very low	116 Å²	116	130.3 Å²	130.3	61%	0.607	68%	0.681	S	S	*	*			cis	-164	157.6	16.3	-104.9	167.7	0	0	0	114.1
1045	F	34.7	Very low	37.7	Very low	171 Å²	171	132.2 Å²	132.2	75%	0.75	68%	0.68	S	S	*	*			trans	68.1	152	151.8	-72.1	-51.5	0	0	0	124.1
1046	K	39.4	Very low	37.5	Very low	184 Å²	184	129.7 Å²	129.7	80%	0.8	68%	0.68	S	S	*	*			trans	82.3	55.1	154	-72.1	170.2	-177.4	-172.9	0	121.7
1047	D	36.8	Very low	37.3	Very low	142 Å²	142	135.8 Å²	135.8	76%	0.759	69%	0.689	S	S	*	*				70	168.9	108.9	-56	-41.9	0	0	0	124.8
1048	E	45.8	Very low	37.2	Very low	159 Å²	159	131.6 Å²	131.6	74%	0.743	69%	0.689	S	S	*	*			trans	74.5	134.9	167.9	-74.2	-70.4	91.5	0	0	122
1049	P	44.2	Very low	36.9	Very low	63 Å²	63	130.1 Å²	130.1	41%	0.409	68%	0.684	S	S	.	*				-136.8	-174.5	-129.9	35.2	-11.6	0	0	0	113.6	K1226	P1049-K1226 PolarHBondContact O-NZ 3.03Å
1050	S	39.3	Very low	36.7	Very low	62 Å²	62	129.4 Å²	129.4	43%	0.434	68%	0.679	S	S	.	*			trans	58.5	166	164.9	75.7	0	0	0	0	117	K1226 L1227	S1050-K1226 WeakPolarHBondContact O-CD 3.26Å; S1050-K1226 WeakPolarHBondContact O-CE 3.31Å; S1050-K1226 PolarHBondContact O-NZ 2.83Å; S1050-L1227 VanDerWaalsContact CA-CD1 3.47Å; S1050-L1227 VanDerWaalsContact N-CD2 3.29Å
1051	V	45.9	Very low	36.8	Very low	101 Å²	101	131 Å²	131	61%	0.612	68%	0.676	S	S	*	*			cis	-137.6	148	16.9	-178.3	0	0	0	0	112.2
1052	K	42.8	Very low	37.1	Very low	183 Å²	183	129.8 Å²	129.8	80%	0.796	67%	0.671	S	S	*	*			trans	15.4	117.2	160.1	-55.4	162.9	-171.5	172.4	0	122.2
1053	R	36.6	Very low	37.2	Very low	203 Å²	203	130.8 Å²	130.8	77%	0.766	68%	0.676	S	S	*	*				26.3	120	117.2	-78.4	-174	173.4	-166.5	-5.5	121.3
1054	H	34.6	Very low	37.5	Very low	160 Å²	160	129.9 Å²	129.9	74%	0.741	68%	0.675	S	S	*	*				62	133.6	124	-95.5	-27.9	0	0	0	123.8
1055	R	34.4	Very low	37.3	Very low	222 Å²	222	129.9 Å²	129.9	84%	0.838	68%	0.676	S	S	*	*			trans	75.6	89.5	143.3	-67.8	179.6	-177.1	-163.1	-3.3	118.6
1056	G	31.7	Very low	37.2	Very low	79 Å²	79	128.3 Å²	128.3	81%	0.814	68%	0.675	S	S	*	*				113.9	98.6	99.8	0	0	0	0	0	116.3
1057	R	36.1	Very low	36.9	Very low	238 Å²	238	124 Å²	124	90%	0.898	66%	0.664	S	S	*	*			trans	-154.4	166	165.8	-124.8	-162	169.8	-159.2	-3.5	109.1
1058	P	32.4	Very low	36.7	Very low	119 Å²	119	125.4 Å²	125.4	77%	0.773	67%	0.666	S	S	*	*				-120.9	-123.3	-96.6	40.2	-25.7	0	0	0	112.4
1059	S	31.8	Very low	36.2	Very low	95 Å²	95	124 Å²	124	66%	0.664	67%	0.669	S	S	*	*			trans	-115.8	149	-158.6	55.9	0	0	0	0	115.3
1060	S	30.8	Very low	35.6	Very low	95 Å²	95	129.6 Å²	129.6	66%	0.664	69%	0.689	S	S	*	*			trans	66	134.6	132.1	68	0	0	0	0	122.5
1061	V	36.3	Very low	35.2	Very low	95 Å²	95	130.9 Å²	130.9	58%	0.576	70%	0.704	S	S	*	*			trans	62.4	161	160.7	-89.2	0	0	0	0	117.4	N2122	V1061-N2122 WeakPolarHBondContact CG1-O 3.32Å
1062	P	41.6	Very low	34.6	Very low	105 Å²	105	132 Å²	132	68%	0.682	71%	0.71	S	S	*	*			cis	-125.1	-129.7	8.8	41.2	-18.7	0	0	0	114.5	K2123 S2124	P1062-K2123 CarbonylContact C-O 3.5Å; P1062-K2123 WeakPolarHBondContact CA-O 3.32Å; P1062-S2124 PolarHBondContact O-N 3.14Å
1063	P	40	Very low	34.4	Very low	83 Å²	83	129.4 Å²	129.4	54%	0.539	71%	0.71	S	S	.	*			trans	-125.3	159.7	-136.9	13.2	16.5	0	0	0	120.3	K2123	P1063-K2123 WeakPolarHBondContact CA-O 3.26Å; P1063-K2123 WeakPolarHBondContact CB-O 3.45Å
1064	T	38.2	Very low	34.3	Very low	52 Å²	52	125.2 Å²	125.2	32%	0.319	71%	0.709	S	S	.	*			trans	21	139.2	141.2	27.9	0	0	0	0	122.9	S2124 K2125	T1064-S2124 PolarHBondContact N-O 2.76Å; T1064-K2125 HydrophobicContact CG2-CB 3.62Å; T1064-K2125 HydrophobicContact CG2-CD 3.62Å; T1064-K2125 HydrophobicContact CG2-CG 4.19Å
1065	D	31	Very low	34.6	Very low	116 Å²	116	126.1 Å²	126.1	62%	0.62	71%	0.714	S	S	*	*			trans	71.5	139.6	136.8	-57.8	-13.9	0	0	0	117.5
1066	L	32.3	Very low	34.7	Very low	139 Å²	139	122.4 Å²	122.4	73%	0.728	71%	0.707	S	S	*	*			cis	-165.2	-171.3	-3.3	-122.5	173.6	0	0	0	109.9
1067	T	32.6	Very low	34.9	Very low	92 Å²	92	123.5 Å²	123.5	56%	0.564	70%	0.703	S	S	*	*			trans	52.8	115.8	152.7	48.3	0	0	0	0	119.7
1068	E	32.3	Very low	34.8	Very low	172 Å²	172	119.5 Å²	119.5	80%	0.804	70%	0.698	S	S	*	*			trans	66.3	159.8	145.3	-68.1	130.5	-125.9	0	0	117.6
1069	T	35.9	Very low	34.9	Very low	131 Å²	131	119.3 Å²	119.3	80%	0.804	70%	0.7	S	S	*	*			cis	-125.3	-179	4.7	-34.8	0	0	0	0	111
1070	E	31.5	Very low	35.2	Very low	180 Å²	180	120 Å²	120	84%	0.841	71%	0.705	S	S	*	*			trans	-64.6	-177.8	171.1	-54.4	-180	110.4	0	0	113.3
1071	A	30.8	Very low	35.7	Very low	89 Å²	89	122.4 Å²	122.4	74%	0.736	72%	0.715	S	S	*	*			trans	83	120.7	154.5	0	0	0	0	0	119.8
1072	V	33	Very low	35.9	Very low	123 Å²	123	126.8 Å²	126.8	75%	0.745	72%	0.721	S	S	*	*				72.7	111	125.1	176	0	0	0	0	119.3
1073	T	38.1	Very low	36.1	Very low	129 Å²	129	127.1 Å²	127.1	79%	0.791	71%	0.712	S	S	*	*			trans	66.4	151.5	156.4	50.3	0	0	0	0	120.3
1074	P	35.8	Very low	36.2	Very low	115 Å²	115	128.7 Å²	128.7	75%	0.747	71%	0.712	S	S	*	*			trans	-97.2	152.5	173.6	37.4	-32	0	0	0	112.6
1075	E	40.1	Very low	36.5	Very low	179 Å²	179	131.9 Å²	131.9	84%	0.836	74%	0.736	S	S	*	*				-170.1	163.8	129.3	-113.6	-177.7	-161	0	0	117.6
1076	M	36.4	Very low	36.8	Very low	144 Å²	144	129.5 Å²	129.5	71%	0.709	74%	0.739	S	S	*	*			trans	46.9	113.6	150.5	-60.4	-115.7	72.8	0	0	123.9
1077	S	35.7	Very low	37.4	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	75%	0.746	S	S	*	*				73.7	171.2	129.2	85.9	0	0	0	0	120.7
1078	L	35	Very low	37.8	Very low	154 Å²	154	132.5 Å²	132.5	81%	0.806	76%	0.757	S	S	*	*			cis	-161.7	152.1	-40.6	-106	175.8	0	0	0	111.7
1079	S	34.8	Very low	38	Very low	116 Å²	116	127.2 Å²	127.2	81%	0.811	75%	0.748	S	S	*	*			trans	69.2	161.5	158.8	88.8	0	0	0	0	118.1
1080	S	36.9	Very low	38.3	Very low	110 Å²	110	127 Å²	127	77%	0.769	75%	0.747	S	S	*	*			cis	-151	173.1	-4.5	76.2	0	0	0	0	111.2
1081	V	41.6	Very low	38.8	Very low	144 Å²	144	128.6 Å²	128.6	87%	0.873	75%	0.745	S	S	*	*			trans	-148.9	136.8	-178.5	-175	0	0	0	0	114.6
1082	R	40.3	Very low	39.4	Very low	187 Å²	187	132.6 Å²	132.6	71%	0.706	75%	0.746	S	S	*	*			trans	-159.6	159.6	172.5	-84.5	-159.3	-179	-170.1	3.2	111.7
1083	K	45.8	Very low	39.6	Very low	113 Å²	113	133.6 Å²	133.6	49%	0.491	75%	0.746	S	S	.	*			cis	-176	147.4	-28.2	-121.9	-176.9	169.4	-116.9	0	111.3
1084	E	43.1	Very low	39.6	Very low	115 Å²	115	133.8 Å²	133.8	54%	0.537	74%	0.741	S	S	.	*			trans	51.7	166.8	147.2	-76.2	141	-147.6	0	0	120.9
1085	S	43	Very low	39.7	Very low	119 Å²	119	137 Å²	137	83%	0.832	74%	0.744	S	S	*	*			cis	-154.3	-173.5	-0.9	19.5	0	0	0	0	108.4
1086	G	38.2	Very low	39.7	Very low	66 Å²	66	134.6 Å²	134.6	68%	0.68	74%	0.741	S	S	*	*			cis	-128.8	-147.1	1.8	0	0	0	0	0	112.2
1087	L	44.2	Very low	39.8	Very low	166 Å²	166	133 Å²	133	87%	0.869	74%	0.742	S	S	*	*			cis	101.4	117.2	13.5	-59.4	179.2	0	0	0	115.4
1088	T	42	Very low	39.8	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	74%	0.738	S	S	*	*			cis	-134.7	-127.2	-7.1	-40.2	0	0	0	0	110.9
1089	G	36.9	Very low	39.9	Very low	61 Å²	61	133.2 Å²	133.2	63%	0.629	74%	0.737	S	S	*	*			cis	-112.6	-164.9	-7.7	0	0	0	0	0	112.8
1090	V	41.8	Very low	39.9	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	73%	0.729	S	S	*	*			cis	81.3	125.3	14.7	-176	0	0	0	0	115.2
1091	R	41.8	Very low	39.8	Very low	214 Å²	214	132.5 Å²	132.5	81%	0.808	72%	0.716	S	S	*	*			cis	-150.2	152.4	-21	-112.2	175.9	-166.9	179.4	5	111.3
1092	K	43	Very low	39.5	Very low	173 Å²	173	131.1 Å²	131.1	75%	0.752	71%	0.708	S	S	*	*			trans	1.1	146.3	152.4	-46.9	168.9	-174.9	173.6	0	118.4
1093	L	37.8	Very low	39.3	Very low	143 Å²	143	126 Å²	126	75%	0.749	70%	0.699	S	S	*	*				-164.9	155.2	59.3	-79.3	166.5	0	0	0	114.3
1094	L	38	Very low	38.6	Very low	133 Å²	133	131.6 Å²	131.6	70%	0.696	72%	0.717	S	S	*	*			trans	27.3	138.9	137.9	-52.7	177	0	0	0	120.5
1095	K	37.1	Very low	38.1	Very low	183 Å²	183	132.4 Å²	132.4	80%	0.796	73%	0.73	S	S	*	*			cis	-161.4	157	16.9	-116.1	155.9	-173.2	171.4	0	111.9
1096	T	40	Very low	37.6	Very low	128 Å²	128	131.5 Å²	131.5	79%	0.785	72%	0.724	S	S	*	*			trans	-73	171.2	173.8	57.3	0	0	0	0	113.5
1097	P	39.5	Very low	37.3	Very low	110 Å²	110	131.7 Å²	131.7	71%	0.714	73%	0.725	S	S	*	*			cis	-153.5	178.8	25.9	44.8	-23.6	0	0	0	121
1098	K	35.5	Very low	36.9	Very low	149 Å²	149	130 Å²	130	65%	0.648	72%	0.722	S	S	*	*			trans	66.1	94.1	149.7	-83.4	-174.6	166.1	-172.1	0	121.6	E440	E440-K1098 IonicContact OE1-NZ 2.67Å; E440-K1098 PolarHBondContact OE1-NZ 2.85Å; E440-K1098 IonicContact OE2-NZ 3.44Å; E440-K1098 PolarHBondContact OE2-NZ 2.72Å
1099	S	35.7	Very low	36.5	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	72%	0.717	S	S	*	*				-177.6	143.9	121.1	50.1	0	0	0	0	109
1100	V	36.4	Very low	36.2	Very low	106 Å²	106	133.5 Å²	133.5	64%	0.642	72%	0.724	S	S	*	*			cis	78.1	110.6	30.3	-178.1	0	0	0	0	111.1
1101	Q	34.9	Very low	36	Very low	105 Å²	105	133.9 Å²	133.9	49%	0.491	72%	0.721	S	S	.	*			cis	-159.9	136.8	29.6	-147.5	163	-30.3	0	0	115.4
1102	T	35.3	Very low	35.8	Very low	116 Å²	116	130.8 Å²	130.8	71%	0.712	71%	0.713	S	S	*	*			trans	63	152	148.1	45.4	0	0	0	0	123.4
1103	P	34.7	Very low	35.4	Very low	80 Å²	80	130.5 Å²	130.5	52%	0.519	71%	0.712	S	S	.	*			trans	-113.7	-175.2	-173.9	44.2	-34.6	0	0	0	115.2
1104	R	31.5	Very low	35.2	Very low	229 Å²	229	128.3 Å²	128.3	86%	0.864	70%	0.701	S	S	*	*			trans	-50.6	150.6	159.8	-65.5	170.8	168.9	154.3	-5.8	112.1
1105	V	33.7	Very low	35.5	Very low	133 Å²	133	128.6 Å²	128.6	81%	0.806	70%	0.699	S	S	*	*			trans	-127	122.9	144.6	-179.4	0	0	0	0	107.9
1106	S	31.8	Very low	35.7	Very low	100 Å²	100	125 Å²	125	70%	0.699	69%	0.694	S	S	*	*			trans	-117.7	133.7	172.4	50.3	0	0	0	0	108.7
1107	G	32.6	Very low	35.5	Very low	69 Å²	69	122.4 Å²	122.4	71%	0.711	68%	0.681	S	S	*	*			trans	97.9	134	142.5	0	0	0	0	0	118.9
1108	V	35.9	Very low	35.4	Very low	131 Å²	131	120 Å²	120	79%	0.794	66%	0.664	S	S	*	*				62.6	89.5	128.6	-165.7	0	0	0	0	118.1
1109	S	31.8	Very low	35.5	Very low	97 Å²	97	116.9 Å²	116.9	68%	0.678	65%	0.651	S	S	*	*				-80.1	155.2	108.5	43.1	0	0	0	0	109.6
1110	E	32.4	Very low	35.3	Very low	166 Å²	166	118.5 Å²	118.5	78%	0.776	64%	0.64	S	S	*	*			cis	-144.1	152.3	-2	-107.9	130.8	-133.4	0	0	107
1111	L	35.8	Very low	35.1	Very low	135 Å²	135	119.6 Å²	119.6	71%	0.707	64%	0.637	S	S	*	*			trans	-165.1	145.8	161.5	-122.2	-179.9	0	0	0	111.8
1112	F	38.1	Very low	35	Very low	148 Å²	148	124.8 Å²	124.8	65%	0.649	65%	0.652	S	S	*	*			trans	67.8	140.2	178.4	-50.9	-67.4	0	0	0	114.2
1113	K	35	Very low	34.7	Very low	167 Å²	167	122.6 Å²	122.6	73%	0.726	65%	0.653	S	S	*	*			cis	-151.6	154.8	23.6	-120.4	130.2	-152.3	-40.6	0	110
1114	D	33.6	Very low	34.6	Very low	98 Å²	98	129.9 Å²	129.9	52%	0.524	67%	0.67	S	S	.	*			cis	-155.9	151.7	-23.7	-99.1	-4.1	0	0	0	103.5
1115	E	43.5	Very low	34.6	Very low	139 Å²	139	124.7 Å²	124.7	65%	0.65	67%	0.666	S	S	*	*				46.3	144.7	83.8	-97.1	-106.7	112.8	0	0	114.6	S1117	E1115-S1117 VanDerWaalsContact OE1-CB 3.24Å; E1115-S1117 WeakPolarHBondContact OE1-CB 3.42Å; E1115-S1117 PolarHBondContact OE1-N 3.37Å; E1115-S1117 PolarHBondContact OE1-OG 3.17Å
1116	P	41.6	Very low	34.4	Very low	106 Å²	106	122.7 Å²	122.7	69%	0.688	66%	0.658	S	S	*	*			cis	-112.8	159.3	22.3	0.2	24.5	0	0	0	117.4	V1118	P1116-V1118 HydrophobicContact CB-CG2 3.56Å
1117	S	35.3	Very low	34.3	Very low	75 Å²	75	123.4 Å²	123.4	52%	0.524	66%	0.663	S	S	.	*			trans	-61.8	-119	163.4	52.7	0	0	0	0	114.9	E1115	E1115-S1117 VanDerWaalsContact OE1-CB 3.24Å; E1115-S1117 WeakPolarHBondContact OE1-CB 3.42Å; E1115-S1117 PolarHBondContact OE1-N 3.37Å; E1115-S1117 PolarHBondContact OE1-OG 3.17Å
1118	V	37.2	Very low	34.3	Very low	58 Å²	58	126.4 Å²	126.4	35%	0.352	67%	0.667	S	S	.	*			trans	107.5	0	153.5	-146.5	0	0	0	0	108.6	S543 F544 A545 P1116	S543-V1118 VanDerWaalsContact C-C 3.4Å; S543-V1118 VanDerWaalsContact CB-N 3.25Å; F544-V1118 VanDerWaalsContact C-CA 3.47Å; F544-V1118 CarbonylContact C-O 3.51Å; F544-V1118 VanDerWaalsContact CA-CB 3.41Å; F544-V1118 HydrophobicContact CB-CG1 4.41Å; F544-V1118 WeakPolarHBondContact O-CG1 3.14Å; A545-V1118 PolarHBondContact N-O 3.4Å; P1116-V1118 HydrophobicContact CB-CG2 3.56Å
1119	K	38.6	Very low	34.6	Very low	85 Å²	85	125.2 Å²	125.2	37%	0.37	66%	0.662	S	S	.	*	B	Isolated β-bridge		0	155.5	0	-172.1	157.8	-74.7	165.6	0	125	E127 E128 S543 F544	E127-K1119 PolarHBondContact O-NZ 3.27Å; E128-K1119 PolarHBondContact O-NZ 2.84Å; S543-K1119 WeakPolarHBondContact O-CA 3.45Å; S543-K1119 WeakPolarHBondContact O-CB 3.23Å; S543-K1119 WeakPolarHBondContact O-CE 3.43Å; S543-K1119 WeakPolarHBondContact O-CG 3.47Å; S543-K1119 WeakPolarHBondContact OG-CA 3.3Å; S543-K1119 PolarHBondContact OG-N 2.95Å; S543-K1119 PolarHBondContact OG-O 2.65Å; F544-K1119 VanDerWaalsContact CA-CB 3.42Å; F544-K1119 HydrophobicContact CB-CB 3.39Å; F544-K1119 HydrophobicContact CB-CD 4.22Å; F544-K1119 HydrophobicContact CB-CG 4.22Å; F544-K1119 HydrophobicContact CD1-CB 3.4Å; F544-K1119 VanDerWaalsContact CD1-CB 3.4Å; F544-K1119 HydrophobicContact CD2-CB 3.33Å; F544-K1119 HydrophobicContact CD2-CD 3.22Å; F544-K1119 HydrophobicContact CD2-CG 3.66Å; F544-K1119 HydrophobicContact CE1-CB 3.81Å; F544-K1119 HydrophobicContact CE2-CB 3.78Å; F544-K1119 HydrophobicContact CE2-CD 3.62Å; F544-K1119 HydrophobicContact CE2-CG 4Å; F544-K1119 HydrophobicContact CG-CB 3.1Å; F544-K1119 HydrophobicContact CG-CD 3.95Å; F544-K1119 HydrophobicContact CG-CG 3.96Å; F544-K1119 HydrophobicContact CZ-CB 3.98Å; F544-K1119 VanDerWaalsContact N-N 3.13Å
1120	R	31.2	Very low	35.1	Very low	145 Å²	145	125.9 Å²	125.9	55%	0.547	66%	0.664	S	S	.	*			trans	-49.2	131.4	171.8	-73.3	-172.1	169.9	167.5	0.8	123.8	H541 E542 S543	H541-R1120 PolarHBondContact O-NE 2.9Å; H541-R1120 PolarHBondContact O-NH2 2.98Å; E542-R1120 HydrophobicContact CB-CB 4.06Å; E542-R1120 HydrophobicContact CB-CG 3.22Å; E542-R1120 HydrophobicContact CG-CG 4.19Å; E542-R1120 PolarHBondContact O-NE 2.76Å; E542-R1120 PolarHBondContact O-NH2 2.74Å; E542-R1120 WeakPolarHBondContact OE1-CA 3Å; E542-R1120 VanDerWaalsContact OE2-CA 3.3Å; E542-R1120 WeakPolarHBondContact OE2-CA 3.14Å; E542-R1120 WeakPolarHBondContact OE2-CG 3.41Å; S543-R1120 PolarHBondContact OG-N 3.16Å
1121	H	32	Very low	35.2	Very low	129 Å²	129	123 Å²	123	60%	0.597	66%	0.658	S	S	*	*				167.4	139.9	109.8	-98.7	-62.9	0	0	0	117.7	E542	E542-H1121 PolarHBondContact OE1-N 3.12Å; E542-H1121 PolarHBondContact OE2-N 3.33Å
1122	R	32.4	Very low	34.9	Very low	214 Å²	214	122.9 Å²	122.9	81%	0.808	66%	0.658	S	S	*	*			trans	60	158.2	150.5	-63.4	169.9	-178.7	159.9	0.6	116.8
1123	G	30.7	Very low	34.7	Very low	70 Å²	70	122.8 Å²	122.8	72%	0.722	66%	0.663	S	S	*	*			cis	172.6	165.4	-2.6	0	0	0	0	0	110
1124	R	32.5	Very low	34.7	Very low	234 Å²	234	119.5 Å²	119.5	88%	0.883	66%	0.658	S	S	*	*			trans	-47.3	151.6	173.4	-104.8	179.4	162.3	-172.5	-7.1	112.5
1125	P	31.2	Very low	34.8	Very low	119 Å²	119	122.9 Å²	122.9	77%	0.773	67%	0.67	S	S	*	*			cis	-125.6	163.8	42.7	40.5	-30.2	0	0	0	117
1126	S	29.1	Very low	34.4	Very low	92 Å²	92	122 Å²	122	64%	0.643	68%	0.675	S	S	*	*			trans	-90.1	114.2	155.4	51	0	0	0	0	108.6
1127	S	29.4	Very low	34.1	Very low	114 Å²	114	125.7 Å²	125.7	80%	0.797	68%	0.683	S	S	*	*			trans	-89.3	136.2	158.5	41.6	0	0	0	0	109.2
1128	V	33.8	Very low	34.1	Very low	132 Å²	132	126.4 Å²	126.4	80%	0.8	69%	0.693	S	S	*	*			trans	-97.7	138.5	166.6	173.9	0	0	0	0	106.4
1129	P	41.6	Very low	34	Very low	107 Å²	107	130.2 Å²	130.2	70%	0.695	72%	0.716	S	S	*	*			trans	-83.4	-174.2	-179.6	39	-40.2	0	0	0	111.1
1130	P	42.7	Very low	34.1	Very low	110 Å²	110	132 Å²	132	71%	0.714	73%	0.734	S	S	*	*			cis	-111	-140.7	-3.2	39.1	-20.9	0	0	0	111
1131	T	32.9	Very low	35	Very low	105 Å²	105	130 Å²	130	64%	0.644	74%	0.74	S	S	*	*			cis	-160.9	137.8	40.6	-37.6	0	0	0	0	110.6
1132	D	31.1	Very low	35.2	Very low	134 Å²	134	131.6 Å²	131.6	72%	0.717	75%	0.748	S	S	*	*			trans	65.4	130	139.8	-72	12.6	0	0	0	126.1
1133	L	32.9	Very low	35.4	Very low	145 Å²	145	128.8 Å²	128.8	76%	0.759	75%	0.746	S	S	*	*			trans	99.1	132.7	132.7	-71.7	162.9	0	0	0	123.4
1134	T	34.5	Very low	35.5	Very low	99 Å²	99	129.2 Å²	129.2	61%	0.607	74%	0.738	S	S	*	*			trans	65.2	99.9	143	51.3	0	0	0	0	123
1135	E	35.6	Very low	35.6	Very low	169 Å²	169	125.6 Å²	125.6	79%	0.79	74%	0.735	S	S	*	*				82.9	150.7	108.8	-74.1	164	-173	0	0	123.6
1136	T	35.7	Very low	35.6	Very low	120 Å²	120	124.7 Å²	124.7	74%	0.736	73%	0.732	S	S	*	*			trans	60.3	94.8	158.1	41.7	0	0	0	0	121.2
1137	E	36.6	Very low	35.8	Very low	183 Å²	183	125.5 Å²	125.5	86%	0.855	74%	0.737	S	S	*	*				61.9	106.8	112.4	-68.1	-168.7	160	0	0	122.6
1138	A	33.8	Very low	36	Very low	91 Å²	91	125.4 Å²	125.4	75%	0.752	73%	0.732	S	S	*	*				101.1	168.3	110	0	0	0	0	0	121.4
1139	V	36.4	Very low	36	Very low	138 Å²	138	128.8 Å²	128.8	84%	0.836	73%	0.73	S	S	*	*			trans	71.1	68.4	170.4	-157.3	0	0	0	0	118.3
1140	T	39.4	Very low	35.8	Very low	122 Å²	122	130.4 Å²	130.4	75%	0.748	73%	0.726	S	S	*	*			trans	-46	172.5	139.6	53.2	0	0	0	0	115.7
1141	P	50	Low	35.5	Very low	103 Å²	103	131.7 Å²	131.7	67%	0.669	72%	0.723	S	S	*	*			cis	-146.1	-155.6	-43.7	40.7	-19.2	0	0	0	113.1
1142	E	36.9	Very low	35.6	Very low	163 Å²	163	132.8 Å²	132.8	76%	0.762	74%	0.735	S	S	*	*			trans	69.5	166.3	168.5	-29.5	-152.3	144.2	0	0	116.5
1143	M	36.2	Very low	35.9	Very low	155 Å²	155	130 Å²	130	76%	0.764	74%	0.738	S	S	*	*			cis	-143.8	172.6	3	-104.9	-145.2	165.2	0	0	107.4
1144	S	33.9	Very low	36.2	Very low	78 Å²	78	131 Å²	131	55%	0.545	74%	0.743	S	S	.	*			cis	-173.3	162.9	-27.6	69	0	0	0	0	108.2
1145	L	33.4	Very low	36.4	Very low	159 Å²	159	132.3 Å²	132.3	83%	0.832	75%	0.751	S	S	*	*			trans	34.1	129.9	145.7	-55	169.4	0	0	0	119.2
1146	S	31.7	Very low	36.5	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	75%	0.746	S	S	*	*				169.6	162.3	67.1	55.6	0	0	0	0	113.8
1147	S	32.4	Very low	36.6	Very low	108 Å²	108	126 Å²	126	76%	0.755	74%	0.737	S	S	*	*			trans	72.7	165.2	148.6	92	0	0	0	0	117.1
1148	V	35.1	Very low	36.9	Very low	113 Å²	113	125.2 Å²	125.2	69%	0.685	73%	0.726	S	S	*	*			cis	-153.4	145.6	-3.9	86.5	0	0	0	0	113.5
1149	R	33.9	Very low	37.2	Very low	203 Å²	203	128.5 Å²	128.5	77%	0.766	72%	0.723	S	S	*	*			trans	43.9	139.6	144.1	-82.8	168.2	174.7	-172.2	-0.1	124
1150	K	36	Very low	37.2	Very low	141 Å²	141	127 Å²	127	61%	0.613	71%	0.71	S	S	*	*			trans	70.7	165.4	131.2	-70.4	175.7	165.3	-94.6	0	118.6
1151	E	36.9	Very low	37.3	Very low	137 Å²	137	124.7 Å²	124.7	64%	0.64	69%	0.692	S	S	*	*			cis	-158.2	154	-23.6	-117.2	159.3	-175.2	0	0	112.7
1152	S	34.9	Very low	36.8	Very low	128 Å²	128	126.9 Å²	126.9	90%	0.895	69%	0.691	S	S	*	*			trans	64.5	174.7	150.7	79.5	0	0	0	0	119
1153	G	38.2	Very low	36.8	Very low	76 Å²	76	122.9 Å²	122.9	78%	0.784	68%	0.679	S	S	*	*			trans	140.5	68.3	178.8	0	0	0	0	0	114.7
1154	L	37.8	Very low	37	Very low	165 Å²	165	120.3 Å²	120.3	86%	0.864	67%	0.673	S	S	*	*			trans	-95.2	176.2	175.2	-82.1	168.4	0	0	0	112.5
1155	T	40.1	Very low	37.2	Very low	127 Å²	127	125.4 Å²	125.4	78%	0.779	69%	0.685	S	S	*	*			trans	74.3	157.2	-175.3	81.9	0	0	0	0	114.2	V659	V659-T1155 HydrophobicContact CG2-CG2 4.25Å
1156	G	37.5	Very low	37.1	Very low	66 Å²	66	122.2 Å²	122.2	68%	0.68	68%	0.677	S	S	*	*			cis	-123.9	-159.2	9	0	0	0	0	0	116.1
1157	V	38.1	Very low	37.1	Very low	90 Å²	90	123.8 Å²	123.8	55%	0.545	68%	0.682	S	S	.	*			trans	-165.1	-169.2	-163.1	37.3	0	0	0	0	110.6	S657 V659	S657-V1157 VanDerWaalsContact O-CG2 3.25Å; S657-V1157 WeakPolarHBondContact O-CG2 3.49Å; V659-V1157 HydrophobicContact CG2-CG1 4.11Å
1158	R	41.6	Very low	37.3	Very low	166 Å²	166	127.7 Å²	127.7	63%	0.626	69%	0.688	S	S	*	*			trans	174.8	-167.4	-177.9	157	-173.7	80.8	-152.5	-162.2	113.4	S657 S658 V659	S657-R1158 WeakPolarHBondContact CA-O 3.23Å; S657-R1158 PolarHBondContact N-O 3.38Å; S658-R1158 VanDerWaalsContact CB-CB 3.43Å; S658-R1158 WeakPolarHBondContact OG-CB 3.15Å; S658-R1158 WeakPolarHBondContact OG-CD 3.44Å; S658-R1158 PolarHBondContact OG-NH2 2.8Å; V659-R1158 PolarHBondContact O-NH2 2.98Å
1159	K	40.5	Very low	37.3	Very low	161 Å²	161	128.5 Å²	128.5	70%	0.7	69%	0.693	S	S	*	*			trans	-82.2	163.4	-134.2	-145.5	178.1	-175	176.1	0	119.1	T656	T656-K1159 WeakPolarHBondContact CB-O 3.46Å; T656-K1159 WeakPolarHBondContact CG2-O 3.31Å
1160	L	37.4	Very low	37.6	Very low	107 Å²	107	124.2 Å²	124.2	56%	0.56	69%	0.692	S	S	*	*			trans	103	46.7	154.7	-56	-179.7	0	0	0	125.6	R655 T656	R655-L1160 VanDerWaalsContact CD-O 3.29Å; R655-L1160 WeakPolarHBondContact CD-O 3.37Å; T656-L1160 WeakPolarHBondContact OG1-CA 3.5Å; T656-L1160 PolarHBondContact OG1-N 3.02Å
1161	L	40.1	Very low	37.4	Very low	72 Å²	72	128.4 Å²	128.4	38%	0.377	70%	0.704	S	S	.	*				61.4	134.6	113.7	-64.3	169.1	0	0	0	125.8	R655 T656	R655-L1161 WeakPolarHBondContact CD-O 3.47Å; R655-L1161 PolarHBondContact NH1-O 2.95Å; R655-L1161 PolarHBondContact O-N 2.85Å; T656-L1161 PolarHBondContact OG1-N 2.84Å
1162	K	39.3	Very low	37.1	Very low	149 Å²	149	128.7 Å²	128.7	65%	0.648	71%	0.714	S	S	*	*			trans	83.8	121.3	133	-79.1	174.1	177.3	-178.8	0	122.5	R654	R654-K1162 WeakPolarHBondContact CD-O 3.34Å; R654-K1162 PolarHBondContact NH1-O 3.37Å
1163	T	38.6	Very low	36.9	Very low	80 Å²	80	127.8 Å²	127.8	49%	0.491	71%	0.708	S	S	.	*			trans	-55	-165.9	161.4	38	0	0	0	0	112.6	R654	R654-T1163 PolarHBondContact NH1-O 2.75Å
1164	P	40.4	Very low	36.8	Very low	100 Å²	100	127.3 Å²	127.3	65%	0.649	70%	0.704	S	S	*	*			cis	-155.4	-157.3	27	46.8	-22.1	0	0	0	119
1165	K	36.9	Very low	36.5	Very low	185 Å²	185	125.7 Å²	125.7	80%	0.804	70%	0.7	S	S	*	*			trans	77.2	87.1	155.8	-73.3	176.9	-178.7	-171.7	0	120.8
1166	S	31.5	Very low	36.2	Very low	93 Å²	93	123.8 Å²	123.8	65%	0.65	69%	0.692	S	S	*	*				27.5	139.3	107	64.2	0	0	0	0	122.2
1167	V	31.6	Very low	36	Very low	133 Å²	133	128.2 Å²	128.2	81%	0.806	70%	0.695	S	S	*	*			trans	57.5	106.8	133.1	180	0	0	0	0	118.7
1168	Q	37.3	Very low	35.7	Very low	189 Å²	189	129.1 Å²	129.1	88%	0.883	70%	0.696	S	S	*	*				-160.6	148.3	113.2	-110.6	168.5	-6.7	0	0	110.7
1169	T	34.4	Very low	35.4	Very low	130 Å²	130	128.6 Å²	128.6	80%	0.798	70%	0.699	S	S	*	*			trans	-88.9	163.5	161.7	54	0	0	0	0	108.4
1170	P	40.7	Very low	35.3	Very low	113 Å²	113	127.9 Å²	127.9	73%	0.734	70%	0.696	S	S	*	*				-150.9	165.8	95.1	38.6	-21.2	0	0	0	116.8
1171	R	32.5	Very low	35.2	Very low	230 Å²	230	129.6 Å²	129.6	87%	0.868	71%	0.705	S	S	*	*			trans	47.4	93.6	142.5	-69.9	175.4	173.4	158.4	-2.1	120.3
1172	V	30.8	Very low	35	Very low	142 Å²	142	134.3 Å²	134.3	86%	0.861	73%	0.726	S	S	*	*				1.9	123	110.3	-173.4	0	0	0	0	116.3
1173	S	30.5	Very low	35.2	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	72%	0.724	S	S	*	*			trans	-179.3	160.2	139.9	42.6	0	0	0	0	109.1
1174	G	35.1	Very low	35.1	Very low	66 Å²	66	132.9 Å²	132.9	68%	0.68	74%	0.735	S	S	*	*			trans	70.1	93	-173.5	0	0	0	0	0	112.7
1175	V	32.7	Very low	35	Very low	130 Å²	130	133.4 Å²	133.4	79%	0.788	74%	0.736	S	S	*	*			cis	59.3	150.8	24.8	-168.9	0	0	0	0	111.8
1176	S	32.2	Very low	35.1	Very low	88 Å²	88	132.8 Å²	132.8	62%	0.615	73%	0.734	S	S	*	*			trans	74.9	134.8	-178.3	-52.8	0	0	0	0	113.7
1177	E	33.1	Very low	35.3	Very low	158 Å²	158	138 Å²	138	74%	0.738	74%	0.739	S	S	*	*			cis	163.2	170.1	2.5	-103.8	156.2	-122.9	0	0	102.3
1178	L	32.5	Very low	35.6	Very low	110 Å²	110	139 Å²	139	58%	0.576	73%	0.734	S	S	*	*			cis	-161.8	166.3	-22.7	-119.2	172.1	0	0	0	106.1
1179	F	34.6	Very low	35.5	Very low	155 Å²	155	140.6 Å²	140.6	68%	0.68	73%	0.733	S	S	*	*			trans	61	179.1	153.2	-70	-32.5	0	0	0	115.8
1180	K	38.4	Very low	35.7	Very low	146 Å²	146	137 Å²	137	64%	0.635	72%	0.721	S	S	*	*			cis	-154.7	150.1	-33.5	-96.9	162.3	-176.2	169.5	0	103
1181	D	36.5	Very low	35.5	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	72%	0.722	S	S	*	*			cis	-159	-174.6	0.7	-101.2	-29.7	0	0	0	109.8
1182	E	36.3	Very low	35.6	Very low	172 Å²	172	132.3 Å²	132.3	80%	0.804	70%	0.695	S	S	*	*			trans	-53.2	-179.1	159.7	-92.9	-124.6	123.5	0	0	114.6
1183	P	43.2	Very low	35.9	Very low	95 Å²	95	126.5 Å²	126.5	62%	0.617	66%	0.66	S	S	*	*			cis	-134	-171.2	-3	19.1	7.1	0	0	0	114.8
1184	S	36.7	Very low	35.8	Very low	103 Å²	103	122.7 Å²	122.7	72%	0.72	63%	0.634	S	S	*	*			trans	82.9	151.5	147.7	90.9	0	0	0	0	117.8
1185	V	37.8	Very low	35.7	Very low	112 Å²	112	124.5 Å²	124.5	68%	0.679	63%	0.631	S	S	*	*			cis	-130.2	123.9	2.7	173	0	0	0	0	111.2
1186	K	39.6	Very low	36.2	Very low	172 Å²	172	121.7 Å²	121.7	75%	0.748	62%	0.616	S	S	*	*			trans	50.3	106.8	151.9	-60.8	164.3	-169.7	168.4	0	118.3
1187	R	36	Very low	36.6	Very low	201 Å²	201	122.8 Å²	122.8	76%	0.758	62%	0.621	S	S	*	*				65.5	134.6	97.5	-68	174.3	-171.2	-171.3	2.8	115.1
1188	H	36	Very low	36.7	Very low	154 Å²	154	120.1 Å²	120.1	71%	0.713	62%	0.615	S	S	*	*			cis	-128.1	144.1	6.9	-78.7	-94.9	0	0	0	109.5
1189	R	36.9	Very low	36.8	Very low	224 Å²	224	121.3 Å²	121.3	85%	0.845	62%	0.622	S	S	*	*				55.2	127.7	66.5	-58	-179.6	178.1	-177	-1.6	111.9
1190	G	37.8	Very low	36.7	Very low	54 Å²	54	120.6 Å²	120.6	56%	0.557	63%	0.625	S	S	*	*			cis	-179.8	153.6	-0.3	0	0	0	0	0	106.8	R1992	G1190-R1992 PolarHBondContact O-NH2 2.97Å; G1190-R1992 VanDerWaalsContact O-NH2 3.12Å
1191	R	36.7	Very low	36.4	Very low	200 Å²	200	118.7 Å²	118.7	76%	0.755	63%	0.626	S	S	*	*				-176.6	159.7	86	-165.5	-176.4	-161.5	-160.9	8.9	108.6
1192	P	35.3	Very low	36.1	Very low	45 Å²	45	120 Å²	120	29%	0.292	63%	0.627	S	S	.	*			trans	-119.3	142.4	179.5	40.4	-29.8	0	0	0	115.9	V1215	P1192-V1215 HydrophobicContact CG-CG1 4.32Å
1193	S	35.9	Very low	35.8	Very low	20 Å²	20	118.4 Å²	118.4	14%	0.14	63%	0.629	C	S	.	*			trans	58.2	162.4	143	38.9	0	0	0	0	121.1	V1215 R1216	S1193-V1215 WeakPolarHBondContact O-CG2 3.38Å; S1193-V1215 WeakPolarHBondContact OG-CA 3.29Å; S1193-R1216 VanDerWaalsContact CB-CA 3.43Å; S1193-R1216 VanDerWaalsContact OG-CA 3.31Å; S1193-R1216 WeakPolarHBondContact OG-CA 3.47Å
1194	S	29.7	Very low	35.1	Very low	30 Å²	30	119.6 Å²	119.6	21%	0.21	63%	0.627	C	S	.	*			cis	94.5	120.4	6.4	82.2	0	0	0	0	119.1	S1214 V1215 R1216	S1194-S1214 CarbonylContact C-O 3Å; S1194-S1214 WeakPolarHBondContact CA-O 3.4Å; S1194-S1214 PolarHBondContact N-O 2.97Å; S1194-S1214 CarbonylContact O-C 3.57Å; S1194-V1215 VanDerWaalsContact N-N 3.15Å; S1194-V1215 CarbonylContact O-C 3.54Å; S1194-V1215 PolarHBondContact O-N 3.22Å; S1194-R1216 CarbonylContact O-C 3.55Å; S1194-R1216 PolarHBondContact O-N 2.92Å; S1194-R1216 PolarHBondContact OG-O 3.47Å
1195	V	31.6	Very low	35	Very low	103 Å²	103	119 Å²	119	62%	0.624	63%	0.627	S	S	*	*			trans	68.5	140.3	173.4	-173.4	0	0	0	0	117.9	S1214 V1215 R1216	V1195-S1214 CarbonylContact C-O 3.49Å; V1195-S1214 PolarHBondContact N-O 3.29Å; V1195-S1214 CarbonylContact O-C 3.52Å; V1195-S1214 WeakPolarHBondContact O-CB 3.4Å; V1195-S1214 PolarHBondContact O-OG 2.95Å; V1195-S1214 VanDerWaalsContact O-OG 3.06Å; V1195-V1215 PolarHBondContact O-N 2.74Å; V1195-V1215 VanDerWaalsContact O-N 3.11Å; V1195-R1216 PolarHBondContact O-N 2.96Å
1196	P	44.1	Very low	34.9	Very low	71 Å²	71	119.7 Å²	119.7	46%	0.461	63%	0.632	S	S	.	*			cis	-101.1	-133.7	-16.6	44.4	-34.6	0	0	0	108.7
1197	P	40	Very low	34.5	Very low	111 Å²	111	117 Å²	117	72%	0.721	63%	0.63	S	S	*	*			cis	-72.7	-175	-11	-16.2	34.3	0	0	0	113.8
1198	T	35.4	Very low	34.5	Very low	102 Å²	102	112.5 Å²	112.5	63%	0.626	63%	0.627	S	S	*	*			cis	87.7	144	-11.2	-10.2	0	0	0	0	122.5
1199	D	35.3	Very low	34.3	Very low	136 Å²	136	110.9 Å²	110.9	73%	0.727	62%	0.62	S	S	*	*			trans	71.2	146.9	165.1	-56	-34.8	0	0	0	118.4
1200	L	31.9	Very low	33.8	Very low	139 Å²	139	107.7 Å²	107.7	73%	0.728	62%	0.616	S	S	*	*			cis	-165.7	171.2	-24.3	-116.5	171.9	0	0	0	108.2
1201	T	31.9	Very low	33.4	Very low	107 Å²	107	109.4 Å²	109.4	66%	0.656	62%	0.62	S	S	*	*			trans	63	137	162.8	37	0	0	0	0	116.8
1202	E	30.1	Very low	33.2	Very low	169 Å²	169	107 Å²	107	79%	0.79	62%	0.621	S	S	*	*				58.7	140.1	91.9	-53.5	-177.9	144.2	0	0	116.3
1203	T	30.8	Very low	32.9	Very low	138 Å²	138	109.3 Å²	109.3	85%	0.847	64%	0.639	S	S	*	*			trans	77.6	172.1	168.6	-6.6	0	0	0	0	118.1
1204	E	28.5	Very low	32.7	Very low	121 Å²	121	110.5 Å²	110.5	57%	0.565	65%	0.647	S	S	*	*			trans	-78.1	-169.8	-176.2	-54.1	178	121.8	0	0	112.4	Y1774	E1204-Y1774 PolarHBondContact OE2-N 3.36Å
1205	A	33.4	Very low	32.8	Very low	89 Å²	89	111.8 Å²	111.8	74%	0.736	65%	0.653	S	S	*	*			trans	89.4	127.5	158.5	0	0	0	0	0	120.3
1206	V	36.8	Very low	32.8	Very low	128 Å²	128	114.4 Å²	114.4	78%	0.776	65%	0.652	S	S	*	*				66.8	97.2	126.5	178.8	0	0	0	0	119.3
1207	T	30.1	Very low	32.2	Very low	116 Å²	116	117.4 Å²	117.4	71%	0.712	66%	0.658	S	S	*	*				-9.6	161.5	129.5	47.4	0	0	0	0	119.9
1208	P	35.8	Very low	32	Very low	106 Å²	106	120 Å²	120	69%	0.688	66%	0.66	S	S	*	*			cis	-138	-96.8	-29.1	34.6	-12.4	0	0	0	111.5
1209	E	31.4	Very low	31.9	Very low	119 Å²	119	120 Å²	120	56%	0.556	67%	0.665	S	S	*	*			trans	43.5	95.5	162.7	-69.8	-57.5	90.7	0	0	121.2
1210	M	28	Very low	31.9	Very low	158 Å²	158	117 Å²	117	78%	0.778	67%	0.665	S	S	*	*			trans	71.2	-174.3	130.2	-75.7	-157.8	63.2	0	0	118.6
1211	S	29.4	Very low	32.1	Very low	90 Å²	90	116.1 Å²	116.1	63%	0.629	66%	0.661	S	S	*	*			trans	83.3	120.1	153	-63.9	0	0	0	0	119.8
1212	L	31.1	Very low	32.3	Very low	148 Å²	148	111.9 Å²	111.9	78%	0.775	64%	0.635	S	S	*	*			trans	51.1	90	130.2	-53.9	178.3	0	0	0	116.8
1213	S	29.1	Very low	32.5	Very low	95 Å²	95	107.3 Å²	107.3	66%	0.664	63%	0.633	S	S	*	*				62.6	107.2	85.4	79.3	0	0	0	0	116.1
1214	S	31.7	Very low	32.7	Very low	45 Å²	45	104.3 Å²	104.3	32%	0.315	61%	0.614	S	S	.	*			trans	-143.7	156.8	130.8	-170.2	0	0	0	0	108.1	S1194 V1195	S1194-S1214 CarbonylContact C-O 3Å; S1194-S1214 WeakPolarHBondContact CA-O 3.4Å; S1194-S1214 PolarHBondContact N-O 2.97Å; S1194-S1214 CarbonylContact O-C 3.57Å; V1195-S1214 CarbonylContact C-O 3.49Å; V1195-S1214 PolarHBondContact N-O 3.29Å; V1195-S1214 CarbonylContact O-C 3.52Å; V1195-S1214 WeakPolarHBondContact O-CB 3.4Å; V1195-S1214 PolarHBondContact O-OG 2.95Å; V1195-S1214 VanDerWaalsContact O-OG 3.06Å
1215	V	32.5	Very low	33.1	Very low	57 Å²	57	106.4 Å²	106.4	35%	0.345	62%	0.617	S	S	.	*			cis	104	50.1	-0.3	-159.9	0	0	0	0	117.7	P1192 S1193 S1194 V1195	P1192-V1215 HydrophobicContact CG-CG1 4.32Å; S1193-V1215 WeakPolarHBondContact O-CG2 3.38Å; S1193-V1215 WeakPolarHBondContact OG-CA 3.29Å; S1194-V1215 VanDerWaalsContact N-N 3.15Å; S1194-V1215 CarbonylContact O-C 3.54Å; S1194-V1215 PolarHBondContact O-N 3.22Å; V1195-V1215 PolarHBondContact O-N 2.74Å; V1195-V1215 VanDerWaalsContact O-N 3.11Å
1216	R	31.5	Very low	33.2	Very low	157 Å²	157	107 Å²	107	59%	0.592	60%	0.603	S	S	*	*				-164.3	172.7	112.5	-114.9	70	-178.7	-81.9	19.4	116.8	S1193 S1194 V1195	S1193-R1216 VanDerWaalsContact CB-CA 3.43Å; S1193-R1216 VanDerWaalsContact OG-CA 3.31Å; S1193-R1216 WeakPolarHBondContact OG-CA 3.47Å; S1194-R1216 CarbonylContact O-C 3.55Å; S1194-R1216 PolarHBondContact O-N 2.92Å; S1194-R1216 PolarHBondContact OG-O 3.47Å; V1195-R1216 PolarHBondContact O-N 2.96Å
1217	K	32	Very low	33	Very low	134 Å²	134	104.7 Å²	104.7	58%	0.583	59%	0.586	S	S	*	*			trans	-95.2	-164.8	-169.1	-39.9	146.2	-171.3	161.8	0	109.4
1218	E	34.7	Very low	33.1	Very low	165 Å²	165	104.8 Å²	104.8	77%	0.771	58%	0.581	S	S	*	*				-168.3	-177.9	63.6	-87.4	-161.6	163.8	0	0	115
1219	S	34.4	Very low	32.9	Very low	104 Å²	104	107.8 Å²	107.8	73%	0.727	58%	0.584	S	S	*	*			trans	-33.8	157.8	-178	54.2	0	0	0	0	120.2
1220	G	34.7	Very low	32.8	Very low	71 Å²	71	105.5 Å²	105.5	73%	0.732	58%	0.578	S	S	*	*			cis	106.1	83.3	-0	0	0	0	0	0	116
1221	L	36.4	Very low	32.9	Very low	121 Å²	121	101.6 Å²	101.6	63%	0.634	56%	0.564	S	S	*	*			trans	-140.1	142.3	176	-72.1	-179.5	0	0	0	110.3	I558	I558-L1221 HydrophobicContact CD1-CD1 3.9Å; I558-L1221 HydrophobicContact CG1-CD1 4.06Å
1222	T	36.2	Very low	32.9	Very low	18 Å²	18	104.1 Å²	104.1	11%	0.11	56%	0.564	C	S	.	*			cis	-138.4	106.3	-8.7	40.4	0	0	0	0	112.5	P557 K559 V1224	P557-T1222 PolarHBondContact O-OG1 3.48Å; K559-T1222 HydrophobicContact CB-CG2 4.08Å; K559-T1222 WeakPolarHBondContact CB-OG1 3.06Å; K559-T1222 WeakPolarHBondContact CD-OG1 3.13Å; K559-T1222 PolarHBondContact NZ-O 3.19Å; T1222-V1224 PolarHBondContact O-N 3.26Å
1223	G	34.8	Very low	32.8	Very low	73 Å²	73	99.2 Å²	99.2	75%	0.753	54%	0.542	S	S	*	.			trans	-63	121.1	172.1	0	0	0	0	0	113.6
1224	V	34.8	Very low	33	Very low	75 Å²	75	100.3 Å²	100.3	46%	0.455	55%	0.545	S	S	.	.			trans	-154	128.2	174.7	175.1	0	0	0	0	107.7	K559 K560 T1222	K559-V1224 HydrophobicContact CD-CB 4.31Å; K559-V1224 HydrophobicContact CD-CG2 3.8Å; K559-V1224 HydrophobicContact CG-CG2 4.25Å; K560-V1224 HydrophobicContact CD-CG2 4.46Å; K560-V1224 HydrophobicContact CG-CG2 4.41Å; T1222-V1224 PolarHBondContact O-N 3.26Å
1225	R	36.6	Very low	33.1	Very low	165 Å²	165	103.7 Å²	103.7	62%	0.623	56%	0.555	S	S	*	*			cis	-177.5	151.4	-19.9	-123.5	175.9	171.1	-160.1	-2.8	105.3
1226	K	35.5	Very low	33.4	Very low	102 Å²	102	106.3 Å²	106.3	44%	0.443	57%	0.571	S	S	.	*			trans	66.4	136	144.3	-74.4	-176.3	171	-166.2	0	117.5	P1049 S1050	P1049-K1226 PolarHBondContact O-NZ 3.03Å; S1050-K1226 WeakPolarHBondContact O-CD 3.26Å; S1050-K1226 WeakPolarHBondContact O-CE 3.31Å; S1050-K1226 PolarHBondContact O-NZ 2.83Å
1227	L	32.7	Very low	33.6	Very low	79 Å²	79	102.6 Å²	102.6	41%	0.414	57%	0.568	S	S	.	*			cis	-158.6	152.9	6.9	-90.4	142.6	0	0	0	112.8	S1050	S1050-L1227 VanDerWaalsContact CA-CD1 3.47Å; S1050-L1227 VanDerWaalsContact N-CD2 3.29Å
1228	L	30.7	Very low	33.8	Very low	118 Å²	118	102.2 Å²	102.2	62%	0.618	56%	0.563	S	S	*	*			trans	19.8	112.4	137.3	-57.9	172.2	0	0	0	118.8	T1230	L1228-T1230 HydrophobicContact CD2-CG2 3.78Å
1229	K	33.5	Very low	33.8	Very low	170 Å²	170	99.8 Å²	99.8	74%	0.739	56%	0.559	S	S	*	*				-159.9	119	107.8	-100.6	172.6	-176.9	-166.2	0	107.7
1230	T	28.9	Very low	34.2	Very low	70 Å²	70	99.4 Å²	99.4	43%	0.429	56%	0.556	S	S	.	*			cis	57.6	141.8	25	84	0	0	0	0	113.6	L1228 L1985	L1228-T1230 HydrophobicContact CD2-CG2 3.78Å; T1230-L1985 HydrophobicContact CG2-CD1 4.46Å
1231	P	29.4	Very low	34.6	Very low	76 Å²	76	97.5 Å²	97.5	49%	0.494	54%	0.536	S	S	.	.				-94.5	176.5	-90.9	-4.4	24.4	0	0	0	111.1	P1984	P1231-P1984 HydrophobicContact CB-CG 4.12Å
1232	K	29.7	Very low	34.6	Very low	143 Å²	143	97 Å²	97	62%	0.622	54%	0.538	S	S	*	.				178	137.6	82.7	-83.5	-177.7	-179.5	-176.5	0	105.8	I1983	K1232-I1983 WeakPolarHBondContact O-CD1 3.45Å; K1232-I1983 VanDerWaalsContact O-CG1 3.22Å; K1232-I1983 WeakPolarHBondContact O-CG1 3.42Å
1233	S	28.4	Very low	34.9	Very low	46 Å²	46	99.9 Å²	99.9	32%	0.322	56%	0.559	S	S	.	*				56.2	52.1	67.3	88.3	0	0	0	0	114	S1982	S1233-S1982 PolarHBondContact N-O 3.33Å
1234	V	33.1	Very low	35.1	Very low	118 Å²	118	101.6 Å²	101.6	72%	0.715	55%	0.547	S	S	*	.			trans	-128.2	75.9	136	-175.2	0	0	0	0	104.7	S1982	V1234-S1982 VanDerWaalsContact C-OG 3.31Å; V1234-S1982 PolarHBondContact N-OG 2.73Å; V1234-S1982 PolarHBondContact O-OG 2.96Å
1235	Q	34	Very low	35.3	Very low	115 Å²	115	104.6 Å²	104.6	54%	0.537	56%	0.56	S	S	.	*			cis	56.8	112.8	49.6	-136.9	-171.3	-13.2	0	0	109.7
1236	T	39.3	Very low	35.3	Very low	112 Å²	112	105 Å²	105	69%	0.687	57%	0.567	S	S	*	*			trans	54.5	142.9	134.2	58.8	0	0	0	0	118.8
1237	P	36.8	Very low	35.4	Very low	80 Å²	80	108 Å²	108	52%	0.519	58%	0.58	S	S	.	*				-161.1	179.6	53.2	43.3	-21.6	0	0	0	119.5
1238	R	35.9	Very low	35.5	Very low	125 Å²	125	110.5 Å²	110.5	47%	0.472	59%	0.594	S	S	.	*			trans	66.6	145.4	135.9	-84.6	160.6	-151.7	123.6	6.3	118.2	N605 E606	N605-R1238 PolarHBondContact O-NE 3.33Å; N605-R1238 PolarHBondContact O-NH1 2.86Å; N605-R1238 VanDerWaalsContact O-NH1 3.12Å; N605-R1238 PolarHBondContact O-NH2 2.86Å; E606-R1238 PolarHBondContact O-NH2 2.65Å
1239	V	34.5	Very low	36	Very low	114 Å²	114	113.1 Å²	113.1	69%	0.691	60%	0.603	S	S	*	*			cis	-144.4	168.4	-12.4	-130.9	0	0	0	0	104.6
1240	S	42.9	Very low	36.4	Very low	97 Å²	97	109.5 Å²	109.5	68%	0.678	60%	0.597	S	S	*	*			cis	-166.9	177.6	17.7	30.2	0	0	0	0	106.1	L1973	S1240-L1973 WeakPolarHBondContact O-CD2 3.37Å
1241	G	43.2	Very low	36.7	Very low	30 Å²	30	111.3 Å²	111.3	31%	0.309	61%	0.612	S	S	.	*			cis	-144.9	-173.7	-11.2	0	0	0	0	0	108
1242	V	36.6	Very low	37.3	Very low	111 Å²	111	113 Å²	113	67%	0.673	62%	0.62	S	S	*	*			cis	59.7	116.5	31.7	-168.3	0	0	0	0	109.6
1243	S	42.6	Very low	37.9	Very low	79 Å²	79	114.4 Å²	114.4	55%	0.552	63%	0.627	S	S	*	*			cis	-109.2	-166.5	13.7	-63.9	0	0	0	0	111.3	R1972	S1243-R1972 PolarHBondContact O-NH2 2.86Å
1244	E	37.3	Very low	38.5	Very low	108 Å²	108	122.3 Å²	122.3	51%	0.505	65%	0.65	S	S	.	*			cis	65.8	153	17.4	-72.7	91.8	-155.6	0	0	110.4	K1971 R1972	E1244-K1971 WeakPolarHBondContact OE1-CE 3.5Å; E1244-K1971 IonicContact OE1-NZ 3.63Å; E1244-K1971 PolarHBondContact OE1-NZ 2.82Å; E1244-R1972 IonicContact OE1-CZ 2.97Å; E1244-R1972 IonicContact OE1-NH1 3.58Å; E1244-R1972 PolarHBondContact OE1-NH1 2.91Å; E1244-R1972 IonicContact OE1-NH2 2.68Å; E1244-R1972 PolarHBondContact OE1-NH2 3.26Å; E1244-R1972 IonicContact OE2-CZ 2.72Å; E1244-R1972 VanDerWaalsContact OE2-CZ 3.29Å; E1244-R1972 IonicContact OE2-NH1 3.73Å; E1244-R1972 PolarHBondContact OE2-NH1 3.07Å; E1244-R1972 IonicContact OE2-NH2 3.37Å; E1244-R1972 PolarHBondContact OE2-NH2 3.19Å
1245	L	39	Very low	38.9	Very low	138 Å²	138	121 Å²	121	72%	0.723	64%	0.636	S	S	*	*			cis	-143.7	162.1	-3.3	-85.2	140.4	0	0	0	109.6
1246	F	37.4	Very low	39.4	Very low	173 Å²	173	121.7 Å²	121.7	76%	0.759	63%	0.633	S	S	*	*			trans	50.2	143.4	142.5	-79.8	-124.6	0	0	0	123.9
1247	K	37.8	Very low	39.4	Very low	167 Å²	167	117.7 Å²	117.7	73%	0.726	61%	0.614	S	S	*	*			trans	66.9	117.5	146.7	-70.2	-169	169.2	-162.4	0	122.3
1248	D	35.2	Very low	40	Very low	131 Å²	131	120.7 Å²	120.7	70%	0.701	62%	0.615	S	S	*	*				67.3	130.7	120.8	-42.5	-22.1	0	0	0	123
1249	E	41	Very low	39.9	Very low	173 Å²	173	116.9 Å²	116.9	81%	0.808	61%	0.607	S	S	*	*			trans	62.8	175.7	150.4	-70.5	-69.4	91.4	0	0	118.6
1250	P	40.7	Very low	40	Very low	94 Å²	94	114.6 Å²	114.6	61%	0.61	60%	0.595	S	S	*	*				-128.9	-173.5	-79.7	36.1	-19	0	0	0	116
1251	S	36.1	Very low	39.5	Very low	107 Å²	107	113 Å²	113	75%	0.748	59%	0.585	S	S	*	*			trans	93.6	134.1	152.9	89.6	0	0	0	0	122.2
1252	V	41.3	Very low	39.2	Very low	111 Å²	111	114.4 Å²	114.4	67%	0.673	59%	0.587	S	S	*	*			trans	72.7	104.5	133.7	175.3	0	0	0	0	123.6
1253	K	41.9	Very low	39.2	Very low	173 Å²	173	112 Å²	112	75%	0.752	57%	0.574	S	S	*	*			trans	67.4	110.4	135.9	-64.2	172.5	-162.3	146.1	0	123.9
1254	R	41.7	Very low	39.2	Very low	213 Å²	213	111.6 Å²	111.6	80%	0.804	57%	0.569	S	S	*	*				100.1	114	116.9	-81.2	-174.3	179.1	-164.6	-1.3	124.1
1255	H	40.9	Very low	39	Very low	91 Å²	91	112 Å²	112	42%	0.421	58%	0.579	S	S	.	*			trans	87.3	151.3	147.6	-64.4	-67.3	0	0	0	123.8	I1932 S1933 T1935	H1255-I1932 PolarHBondContact ND1-O 3.13Å; H1255-S1933 PolarHBondContact CE1-N 2.87Å; H1255-S1933 VanDerWaalsContact CE1-N 3.26Å; H1255-S1933 PolarHBondContact ND1-N 3.21Å; H1255-S1933 PolarHBondContact ND1-O 2.63Å; H1255-S1933 VanDerWaalsContact ND1-O 3.15Å; H1255-T1935 PolarHBondContact O-OG1 3.17Å
1256	R	44.5	Very low	38.4	Very low	129 Å²	129	111.9 Å²	111.9	49%	0.487	58%	0.579	S	S	.	*			trans	-67.3	165.7	-164.7	-81.9	161	158.4	57.6	177.4	114.1	I1932 S1933 K1934 T1935	R1256-I1932 WeakPolarHBondContact CD-O 3.03Å; R1256-S1933 PolarHBondContact NH1-OG 3.42Å; R1256-S1933 PolarHBondContact NH2-O 3.45Å; R1256-S1933 PolarHBondContact NH2-OG 3.4Å; R1256-K1934 PolarHBondContact NH2-O 3.36Å; R1256-T1935 HydrophobicContact CG-CG2 4.06Å
1257	G	40.5	Very low	38	Very low	28 Å²	28	111 Å²	111	29%	0.289	58%	0.582	S	S	.	*			cis	152	-167.8	8.5	0	0	0	0	0	109.2	R2161	G1257-R2161 PolarHBondContact O-NH1 2.86Å; G1257-R2161 PolarHBondContact O-NH2 3.43Å
1258	R	49.6	Very low	37.6	Very low	143 Å²	143	106.6 Å²	106.6	54%	0.54	57%	0.569	S	S	.	*			cis	-136.9	97.2	-26.6	171.7	-168.1	171.9	153.3	0.1	106.3	S965 V966 Q967	S965-R1258 WeakPolarHBondContact CB-O 3.38Å; S965-R1258 PolarHBondContact OG-O 2.91Å; V966-R1258 PolarHBondContact O-NH2 2.78Å; Q967-R1258 PolarHBondContact O-NH2 3.19Å
1259	P	32.9	Very low	37.4	Very low	45 Å²	45	104.6 Å²	104.6	29%	0.292	56%	0.555	S	S	.	*			trans	-86	166.7	179	-9.8	28.1	0	0	0	113.3
1260	S	37.4	Very low	36.9	Very low	65 Å²	65	98.8 Å²	98.8	46%	0.455	53%	0.532	S	S	.	.			cis	179.6	127.3	-21.8	44.9	0	0	0	0	112.9
1261	S	33.1	Very low	36.6	Very low	65 Å²	65	98.3 Å²	98.3	46%	0.455	52%	0.521	S	S	.	.			trans	59.9	-175.9	163.9	82.1	0	0	0	0	116.6	V966 L1027	V966-S1261 VanDerWaalsContact CG2-O 3.26Å; V966-S1261 WeakPolarHBondContact CG2-O 3.06Å; L1027-S1261 WeakPolarHBondContact CB-O 3.32Å; L1027-S1261 VanDerWaalsContact CD2-C 3.4Å
1262	V	36.3	Very low	36.5	Very low	58 Å²	58	97.1 Å²	97.1	35%	0.352	52%	0.518	S	S	.	.			cis	-141.5	163.4	-14.7	55.6	0	0	0	0	108.5	L1027 K1028	L1027-V1262 CarbonylContact C-O 3.4Å; L1027-V1262 WeakPolarHBondContact CA-O 3.38Å; L1027-V1262 WeakPolarHBondContact CB-O 3.12Å; L1027-V1262 VanDerWaalsContact CD2-C 3.44Å; L1027-V1262 VanDerWaalsContact CD2-CA 3.48Å; L1027-V1262 WeakPolarHBondContact CD2-O 3.03Å; L1027-V1262 VanDerWaalsContact CG-O 3.26Å; L1027-V1262 WeakPolarHBondContact CG-O 3.18Å; K1028-V1262 HydrophobicContact CB-CB 4.34Å; K1028-V1262 HydrophobicContact CB-CG1 3.48Å; K1028-V1262 VanDerWaalsContact CB-CG1 3.48Å; K1028-V1262 WeakPolarHBondContact CB-O 3.25Å; K1028-V1262 HydrophobicContact CD-CB 4.15Å; K1028-V1262 HydrophobicContact CD-CG1 3.68Å; K1028-V1262 HydrophobicContact CD-CG2 3.95Å; K1028-V1262 HydrophobicContact CG-CG1 4.16Å; K1028-V1262 PolarHBondContact N-O 2.9Å
1263	P	37	Very low	36.3	Very low	62 Å²	62	94.8 Å²	94.8	40%	0.403	50%	0.504	S	S	.	.			trans	-69.8	-106.4	-154.4	-17.2	33.3	0	0	0	126.9	L1027 K1028	L1027-P1263 CarbonylContact C-O 3.56Å; L1027-P1263 VanDerWaalsContact CA-O 3.29Å; L1027-P1263 WeakPolarHBondContact CA-O 3.35Å; K1028-P1263 PolarHBondContact N-O 3.18Å
1264	P	41.7	Very low	36.3	Very low	70 Å²	70	88.8 Å²	88.8	46%	0.455	48%	0.482	S	S	.	.			trans	-128	175	-139.5	38.3	-18.3	0	0	0	118.9	L1026	L1026-P1264 HydrophobicContact CD2-CB 3.71Å
1265	T	32.6	Very low	36.3	Very low	117 Å²	117	79 Å²	79	72%	0.718	45%	0.445	S	S	*	.			trans	164.4	127.2	141.2	40.1	0	0	0	0	117.4
1266	D	27.7	Very low	36	Very low	135 Å²	135	77.5 Å²	77.5	72%	0.722	44%	0.439	S	S	*	.				72.5	147.7	125.2	-47.7	-10.1	0	0	0	126.2
1267	L	28.3	Very low	35.5	Very low	155 Å²	155	77.1 Å²	77.1	81%	0.812	44%	0.444	S	S	*	.			trans	22.7	138.3	139.1	-55.1	169.8	0	0	0	118.7
1268	T	30.4	Very low	35	Very low	74 Å²	74	79.7 Å²	79.7	45%	0.454	46%	0.457	S	S	.	.			cis	-126.7	170	14.9	41.7	0	0	0	0	110.8
1269	E	29.5	Very low	34	Very low	89 Å²	89	80 Å²	80	42%	0.416	47%	0.469	S	S	.	.				37.3	129.6	81.1	-14.6	179	106.2	0	0	113.2	Q2148 S2149 S2150	E1269-Q2148 HydrophobicContact CB-CB 4.4Å; E1269-Q2148 HydrophobicContact CB-CG 3.84Å; E1269-Q2148 VanDerWaalsContact CD-CG 3.45Å; E1269-Q2148 HydrophobicContact CG-CG 4.23Å; E1269-Q2148 VanDerWaalsContact OE1-CG 3.27Å; E1269-Q2148 WeakPolarHBondContact OE1-CG 3.14Å; E1269-Q2148 PolarHBondContact OE1-NE2 2.66Å; E1269-S2149 CarbonylContact O-C 3.5Å; E1269-S2149 VanDerWaalsContact O-C 3.28Å; E1269-S2150 VanDerWaalsContact O-CB 3.27Å; E1269-S2150 WeakPolarHBondContact O-CB 3.32Å; E1269-S2150 PolarHBondContact O-N 2.79Å; E1269-S2150 VanDerWaalsContact O-N 3.16Å; E1269-S2150 PolarHBondContact O-OG 3.35Å
1270	T	31	Very low	33.8	Very low	50 Å²	50	82 Å²	82	31%	0.307	48%	0.484	S	S	.	.			cis	170.8	-173.8	10.2	9.6	0	0	0	0	109.8	Q2148 S2149 S2150	T1270-Q2148 HydrophobicContact CG2-CB 4.1Å; T1270-Q2148 HydrophobicContact CG2-CG 3.98Å; T1270-Q2148 WeakPolarHBondContact OG1-CA 3.21Å; T1270-Q2148 WeakPolarHBondContact OG1-CB 2.92Å; T1270-Q2148 WeakPolarHBondContact OG1-CG 3.24Å; T1270-S2149 VanDerWaalsContact OG1-CA 3.31Å; T1270-S2149 WeakPolarHBondContact OG1-CA 3.47Å; T1270-S2149 PolarHBondContact OG1-N 3.47Å; T1270-S2149 VanDerWaalsContact OG1-N 3.08Å; T1270-S2150 PolarHBondContact O-N 2.77Å
1271	E	34.6	Very low	33.5	Very low	85 Å²	85	83.9 Å²	83.9	40%	0.397	50%	0.497	S	S	.	.			trans	51.9	138.2	135.4	-73.2	-178.3	159	0	0	120.4	K2147 Q2148 S2149	E1271-K2147 WeakPolarHBondContact OE1-CE 3.43Å; E1271-K2147 IonicContact OE1-NZ 3.33Å; E1271-K2147 PolarHBondContact OE1-NZ 2.87Å; E1271-Q2148 VanDerWaalsContact OE2-CB 3.29Å; E1271-Q2148 WeakPolarHBondContact OE2-CB 3.35Å; E1271-S2149 WeakPolarHBondContact CB-OG 3.23Å; E1271-S2149 PolarHBondContact O-OG 3.04Å
1272	A	33.9	Very low	33.4	Very low	82 Å²	82	86.4 Å²	86.4	68%	0.678	51%	0.509	S	S	*	.			cis	-147.4	-142.1	-17.6	0	0	0	0	0	108
1273	V	36.2	Very low	33.2	Very low	62 Å²	62	93.8 Å²	93.8	38%	0.376	53%	0.531	S	S	.	.			cis	-150.3	127.3	29.8	169.1	0	0	0	0	106.6	S1013 V1014	S1013-V1273 CarbonylContact C-O 3.54Å; V1014-V1273 CarbonylContact C-O 3.57Å; V1014-V1273 WeakPolarHBondContact CA-O 3.37Å; V1014-V1273 PolarHBondContact N-O 2.8Å
1274	T	43	Very low	33	Very low	47 Å²	47	97.8 Å²	97.8	29%	0.288	54%	0.542	S	S	.	.			trans	-48.7	163.3	162.8	36.7	0	0	0	0	112.2	S1013 V1014 R1015 V1955	S1013-T1274 CarbonylContact C-O 3.43Å; S1013-T1274 WeakPolarHBondContact CA-O 3.45Å; V1014-T1274 PolarHBondContact N-O 2.73Å; R1015-T1274 HydrophobicContact CG-CG2 3.77Å; T1274-V1955 WeakPolarHBondContact CB-O 3.28Å; T1274-V1955 PolarHBondContact OG1-O 3.22Å
1275	P	42	Very low	32.8	Very low	6 Å²	6	100.9 Å²	100.9	4%	0.039	55%	0.55	C	S	.	*				-156.8	-123.6	53.5	35.2	-4.4	0	0	0	111.4	V1014 H1953 N1956	V1014-P1275 VanDerWaalsContact N-CD 3.27Å; P1275-H1953 PolarHBondContact O-N 3.17Å; P1275-H1953 PolarHBondContact O-ND1 3.08Å; P1275-N1956 WeakPolarHBondContact CG-OD1 3.18Å
1276	E	33	Very low	32.8	Very low	60 Å²	60	101 Å²	101	28%	0.28	56%	0.556	S	S	.	*			cis	-148.3	133.9	-27	-133	-7	117.9	0	0	109.1	H1953 S1954 V1955 N1956	E1276-H1953 PolarHBondContact N-CE1 2.73Å; E1276-H1953 PolarHBondContact N-ND1 2.94Å; E1276-H1953 PolarHBondContact O-CD2 3.46Å; E1276-H1953 PolarHBondContact O-CE1 3.12Å; E1276-H1953 PolarHBondContact O-ND1 2.86Å; E1276-H1953 PolarHBondContact O-NE2 3.2Å; E1276-S1954 VanDerWaalsContact OE2-CB 3.31Å; E1276-S1954 WeakPolarHBondContact OE2-CB 3.21Å; E1276-V1955 VanDerWaalsContact OE1-CA 3.23Å; E1276-V1955 WeakPolarHBondContact OE1-CA 3.27Å; E1276-V1955 WeakPolarHBondContact OE1-CG1 3.15Å; E1276-N1956 WeakPolarHBondContact CG-ND2 3.23Å; E1276-N1956 PolarHBondContact OE1-N 3.29Å; E1276-N1956 PolarHBondContact OE1-ND2 2.67Å
1277	M	34.1	Very low	33.4	Very low	122 Å²	122	98 Å²	98	60%	0.601	56%	0.558	S	S	*	*			trans	107.9	112	179.6	-59.8	-121.6	67.7	0	0	119.1	H1953	M1277-H1953 VanDerWaalsContact C-CB 3.47Å; M1277-H1953 WeakPolarHBondContact O-CB 3.4Å; M1277-H1953 PolarHBondContact O-CD2 2.95Å; M1277-H1953 VanDerWaalsContact O-CG 3.25Å
1278	S	30.3	Very low	33.6	Very low	81 Å²	81	98.4 Å²	98.4	57%	0.566	56%	0.56	S	S	*	*			trans	74.1	161.5	134.7	93.1	0	0	0	0	119.5
1279	L	28.5	Very low	34	Very low	150 Å²	150	101.8 Å²	101.8	79%	0.785	58%	0.581	S	S	*	*			cis	-160.2	-178.6	-30.7	-114.8	178	0	0	0	108.7
1280	S	29.8	Very low	34.3	Very low	88 Å²	88	100.9 Å²	100.9	62%	0.615	60%	0.595	S	S	*	*			trans	43.8	112	141.1	65.4	0	0	0	0	119.5
1281	S	30.7	Very low	34.5	Very low	103 Å²	103	104.3 Å²	104.3	72%	0.72	62%	0.616	S	S	*	*				84.2	131.5	126.7	93.7	0	0	0	0	116.3
1282	V	30.5	Very low	34.5	Very low	118 Å²	118	108 Å²	108	72%	0.715	63%	0.626	S	S	*	*				84.8	109.1	87.4	170.4	0	0	0	0	112.7
1283	R	32	Very low	34.6	Very low	214 Å²	214	110.7 Å²	110.7	81%	0.808	62%	0.622	S	S	*	*			trans	68.6	115.5	148	-70.8	174	177.1	-177	-1.8	121.1
1284	K	32.8	Very low	34.4	Very low	146 Å²	146	113.9 Å²	113.9	64%	0.635	64%	0.636	S	S	*	*				71.9	175.8	116.3	-60.9	174.4	80.9	-126.1	0	118.2
1285	E	37.6	Very low	33.9	Very low	134 Å²	134	117.8 Å²	117.8	63%	0.626	66%	0.655	S	S	*	*			trans	48.1	92.1	165.3	-82.6	82.7	-106.8	0	0	116.4
1286	S	33.9	Very low	33.5	Very low	119 Å²	119	126.5 Å²	126.5	83%	0.832	69%	0.692	S	S	*	*				83.5	-158.5	82.9	74.8	0	0	0	0	111.6
1287	G	39.1	Very low	33.9	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	72%	0.715	S	S	*	*			trans	87.1	73.5	-177.9	0	0	0	0	0	115.2
1288	L	33.2	Very low	34.2	Very low	163 Å²	163	128.8 Å²	128.8	85%	0.853	72%	0.719	S	S	*	*			trans	-68	178.9	163.1	-75.1	159	0	0	0	111.9
1289	T	37.8	Very low	34.6	Very low	145 Å²	145	134.2 Å²	134.2	89%	0.89	73%	0.733	S	S	*	*			trans	81.4	174.7	164.8	82.5	0	0	0	0	116.3
1290	G	37.5	Very low	34.9	Very low	70 Å²	70	131.8 Å²	131.8	72%	0.722	73%	0.728	S	S	*	*			trans	133.4	-9.8	176	0	0	0	0	0	117.8
1291	V	33.3	Very low	35.3	Very low	122 Å²	122	133.6 Å²	133.6	74%	0.739	74%	0.735	S	S	*	*			trans	-0.8	137.9	158	173.9	0	0	0	0	119.3
1292	R	35.3	Very low	35.5	Very low	161 Å²	161	137 Å²	137	61%	0.608	74%	0.74	S	S	*	*			trans	89.2	136.5	152.6	-90.7	166.9	-178.3	-174.3	-0.7	120.8
1293	K	35.2	Very low	35.9	Very low	139 Å²	139	137.5 Å²	137.5	60%	0.604	74%	0.743	S	S	*	*			trans	74.6	147	141.6	-68	175.3	172.9	-175.6	0	117.2	L977	L977-K1293 WeakPolarHBondContact CD2-O 3.44Å
1294	L	32	Very low	36.5	Very low	129 Å²	129	132.7 Å²	132.7	68%	0.675	74%	0.74	S	S	*	*			cis	-169.1	171.8	-3	-121.5	173.1	0	0	0	113.5
1295	L	32.6	Very low	36.6	Very low	129 Å²	129	136.3 Å²	136.3	68%	0.675	75%	0.749	S	S	*	*			trans	71.7	152.6	157.4	-64.6	156.2	0	0	0	116.3
1296	K	35	Very low	36.6	Very low	189 Å²	189	135.5 Å²	135.5	82%	0.822	75%	0.753	S	S	*	*			cis	-133.8	146.9	9	-128	139.8	-173.2	-179.5	0	111.2
1297	T	39.8	Very low	36.7	Very low	125 Å²	125	135.1 Å²	135.1	77%	0.767	75%	0.75	S	S	*	*			trans	-90.9	177	176.6	59.1	0	0	0	0	111
1298	P	41.4	Very low	36.6	Very low	105 Å²	105	134.4 Å²	134.4	68%	0.682	74%	0.744	S	S	*	*				-149.2	145.2	94.6	35.4	-17.4	0	0	0	117.5
1299	K	38.4	Very low	36.9	Very low	196 Å²	196	133 Å²	133	85%	0.852	74%	0.742	S	S	*	*			trans	69.1	144.1	138.5	-67	169.4	-169.5	175.2	0	118.7
1300	S	35.9	Very low	36.9	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	73%	0.731	S	S	*	*			cis	-167.3	154.5	-1.5	38.4	0	0	0	0	113.8
1301	V	37.2	Very low	37	Very low	125 Å²	125	133.7 Å²	133.7	76%	0.758	73%	0.726	S	S	*	*			trans	73	131	145.4	161.9	0	0	0	0	117.3
1302	Q	35.7	Very low	37.1	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.822	73%	0.725	S	S	*	*			cis	-145.1	158.3	4.9	-137	158.4	-2	0	0	113.5
1303	T	38	Very low	37.3	Very low	127 Å²	127	135.1 Å²	135.1	78%	0.779	73%	0.733	S	S	*	*			trans	-114.3	-139.6	176.4	56.5	0	0	0	0	109.1
1304	P	44.1	Very low	37.4	Very low	113 Å²	113	137 Å²	137	73%	0.734	74%	0.741	S	S	*	*			cis	-85.4	-152.6	0.8	40.9	-39.8	0	0	0	111.7
1305	R	36.6	Very low	37.5	Very low	223 Å²	223	137.7 Å²	137.7	84%	0.842	75%	0.746	S	S	*	*			cis	-155.5	170.5	-4.3	-140.9	179.5	170.7	-164.4	-1.3	105.3
1306	V	37.1	Very low	37.9	Very low	116 Å²	116	140.1 Å²	140.1	70%	0.703	75%	0.754	S	S	*	*			cis	-134.6	-80.9	6.6	-159.9	0	0	0	0	112.5
1307	S	36.2	Very low	38.3	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	75%	0.751	S	S	*	*			trans	-169	170.1	-155.2	49.3	0	0	0	0	110.7
1308	G	35.7	Very low	37.9	Very low	60 Å²	60	135.9 Å²	135.9	62%	0.619	75%	0.75	S	S	*	*			cis	-161.9	148.5	-4.7	0	0	0	0	0	111
1309	V	39.4	Very low	37.7	Very low	134 Å²	134	136 Å²	136	81%	0.812	75%	0.749	S	S	*	*				80.2	106.4	101.5	175.6	0	0	0	0	112
1310	S	38.7	Very low	37.6	Very low	97 Å²	97	135.6 Å²	135.6	68%	0.678	75%	0.747	S	S	*	*				80.4	149.1	71.6	-58.3	0	0	0	0	112.7
1311	E	39.2	Very low	37.6	Very low	132 Å²	132	142 Å²	142	62%	0.617	76%	0.756	S	S	*	*			cis	-170.9	171	-2.5	-126.4	171.7	179.9	0	0	113.2
1312	L	36.7	Very low	37.4	Very low	137 Å²	137	144.3 Å²	144.3	72%	0.717	76%	0.758	S	S	*	*			trans	68.5	157.7	152.5	-63.6	164.7	0	0	0	119.4
1313	F	38.3	Very low	37.5	Very low	175 Å²	175	145.5 Å²	145.5	77%	0.768	76%	0.755	S	S	*	*			cis	-167.4	-178.3	-25.6	-137	-122.9	0	0	0	112.2
1314	K	37.9	Very low	37.1	Very low	179 Å²	179	142.8 Å²	142.8	78%	0.778	75%	0.752	S	S	*	*			trans	79.3	101.4	161.7	-67.5	-179.1	179.3	-178.6	0	123.3
1315	D	33.1	Very low	36.7	Very low	144 Å²	144	148.6 Å²	148.6	77%	0.77	76%	0.76	S	S	*	*				25.4	130.3	116.1	-40	-51.8	0	0	0	124
1316	E	40.6	Very low	36.9	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	74%	0.735	S	S	*	*			trans	-176.3	135.1	143	-108.4	-83.5	111.6	0	0	110.7
1317	P	43.4	Very low	36.7	Very low	117 Å²	117	137 Å²	137	76%	0.76	72%	0.717	S	S	*	*			trans	-130.8	112.7	-178.9	37.6	-21.2	0	0	0	116.9
1318	S	33.2	Very low	36.5	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	70%	0.699	S	S	*	*			trans	-162.8	162.9	172.8	95.4	0	0	0	0	110.6
1319	V	35.8	Very low	36.5	Very low	107 Å²	107	136.9 Å²	136.9	65%	0.648	70%	0.702	S	S	*	*			cis	-164.7	160.9	-8.8	77.1	0	0	0	0	110.2
1320	K	36.4	Very low	37	Very low	187 Å²	187	135.9 Å²	135.9	81%	0.813	70%	0.698	S	S	*	*			trans	66.5	150.3	171	-63.3	156.3	-160.5	164.7	0	114.4
1321	R	35.8	Very low	37.2	Very low	234 Å²	234	136.2 Å²	136.2	88%	0.883	70%	0.698	S	S	*	*			cis	-159.5	159.7	0.3	-108.7	173.7	177.1	-176	-0.2	105.3
1322	H	34.2	Very low	37	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.806	70%	0.702	S	S	*	*			cis	-165.9	-170.9	-22.6	-145.7	-16.8	0	0	0	109.8
1323	R	36.5	Very low	36.9	Very low	201 Å²	201	135 Å²	135	76%	0.758	70%	0.701	S	S	*	*			trans	17.2	134.9	149.8	-70	169.1	-161.7	-172.7	1.3	120.7
1324	G	31.4	Very low	36.7	Very low	70 Å²	70	133.1 Å²	133.1	72%	0.722	70%	0.698	S	S	*	*			cis	79.1	145.1	2.5	0	0	0	0	0	115
1325	R	35.6	Very low	36.6	Very low	234 Å²	234	129.5 Å²	129.5	88%	0.883	69%	0.691	S	S	*	*			cis	-171.2	170.8	1.3	-149.2	-124.2	172.4	173.8	-5.2	108.1
1326	P	40.7	Very low	36.7	Very low	51 Å²	51	131 Å²	131	33%	0.331	69%	0.693	S	S	.	*			trans	-115.7	173.3	-169	43.1	-37.1	0	0	0	117.6	Q208	Q208-P1326 HydrophobicContact CB-CB 4.34Å; Q208-P1326 HydrophobicContact CB-CG 4.33Å; Q208-P1326 WeakPolarHBondContact O-CB 3.01Å; Q208-P1326 WeakPolarHBondContact O-CG 3.11Å
1327	S	31.7	Very low	36.4	Very low	45 Å²	45	127.7 Å²	127.7	32%	0.315	69%	0.686	S	S	.	*			trans	-131.8	-161.6	150.4	62.3	0	0	0	0	107.2	Q208 A209 E210	Q208-S1327 WeakPolarHBondContact CB-O 2.94Å; A209-S1327 CarbonylContact C-O 3.46Å; E210-S1327 PolarHBondContact N-O 2.78Å
1328	S	32.7	Very low	35.9	Very low	59 Å²	59	128.9 Å²	128.9	41%	0.413	68%	0.681	S	S	.	*			cis	-162	135.7	-9	17.9	0	0	0	0	105
1329	V	36	Very low	36	Very low	110 Å²	110	125.5 Å²	125.5	67%	0.667	66%	0.66	S	S	*	*				85	108.6	52.4	-177.7	0	0	0	0	114.2
1330	P	48.6	Very low	36.1	Very low	112 Å²	112	124 Å²	124	73%	0.727	65%	0.65	S	S	*	*			trans	-95	-164.3	177.3	40.8	-35.6	0	0	0	112.2
1331	P	43.6	Very low	36.1	Very low	104 Å²	104	118.9 Å²	118.9	68%	0.675	64%	0.635	S	S	*	*				-154.1	175.8	91.3	41.4	-22	0	0	0	116.9
1332	T	35.5	Very low	36.3	Very low	116 Å²	116	112.3 Å²	112.3	71%	0.712	62%	0.623	S	S	*	*			trans	46.8	148.8	142.2	50.8	0	0	0	0	121.8
1333	D	33.5	Very low	36.2	Very low	129 Å²	129	112.6 Å²	112.6	69%	0.69	62%	0.624	S	S	*	*			cis	-163.4	179.1	12.3	-130.7	-32.4	0	0	0	113.9
1334	L	35.7	Very low	36	Very low	135 Å²	135	110.6 Å²	110.6	71%	0.707	63%	0.626	S	S	*	*			trans	57	105.3	153.3	-64.3	166.4	0	0	0	118.6
1335	T	33.9	Very low	36	Very low	103 Å²	103	111.4 Å²	111.4	63%	0.632	62%	0.62	S	S	*	*				88.6	127.8	65.2	56.5	0	0	0	0	116.2
1336	E	35.1	Very low	35.7	Very low	175 Å²	175	107.6 Å²	107.6	82%	0.818	62%	0.616	S	S	*	*			trans	67.9	137.1	147.1	-67.4	173.2	-165.2	0	0	118.4
1337	T	34.6	Very low	35.2	Very low	110 Å²	110	109.8 Å²	109.8	68%	0.675	63%	0.633	S	S	*	*			cis	-148.8	171.9	-0.7	-14	0	0	0	0	112.9
1338	E	34.4	Very low	35.2	Very low	142 Å²	142	112 Å²	112	66%	0.664	65%	0.648	S	S	*	*			trans	-15.2	147.7	155.3	-75.7	-169.8	145	0	0	119.7	N1665	E1338-N1665 PolarHBondContact OE1-ND2 3.12Å
1339	A	34.7	Very low	35.3	Very low	38 Å²	38	114.9 Å²	114.9	31%	0.314	66%	0.663	S	S	.	*			cis	-163.1	-173.9	-6.4	0	0	0	0	0	116.7
1340	V	36.6	Very low	35.2	Very low	75 Å²	75	117.4 Å²	117.4	46%	0.455	66%	0.661	S	S	.	*			trans	68.4	-173.6	134.2	77.9	0	0	0	0	119.3	E1855 S1856	V1340-E1855 PolarHBondContact O-N 3.27Å; V1340-S1856 VanDerWaalsContact CG1-CB 3.45Å
1341	T	37.9	Very low	34.7	Very low	80 Å²	80	116.3 Å²	116.3	49%	0.491	64%	0.644	S	S	.	*			trans	-145	147.1	-131.3	55.1	0	0	0	0	116.5	E1855 S1856 V1857	T1341-E1855 CarbonylContact C-O 3.25Å; T1341-S1856 CarbonylContact O-C 3.01Å; T1341-S1856 WeakPolarHBondContact O-CA 3.21Å; T1341-V1857 PolarHBondContact O-N 2.66Å
1342	P	39.2	Very low	34.5	Very low	96 Å²	96	118.2 Å²	118.2	62%	0.623	64%	0.644	S	S	*	*				-122.4	170.1	122.1	-0.9	23.1	0	0	0	114	E1855	P1342-E1855 WeakPolarHBondContact CD-O 3.26Å
1343	E	31.3	Very low	34.7	Very low	180 Å²	180	118.3 Å²	118.3	84%	0.841	65%	0.65	S	S	*	*			trans	-60.6	156.7	167	-52.4	-174.8	153.9	0	0	109.9
1344	M	33.1	Very low	34.8	Very low	159 Å²	159	115.4 Å²	115.4	78%	0.783	65%	0.65	S	S	*	*			cis	-147.7	167.3	47.1	-63.9	-170.4	76	0	0	115
1345	S	31.3	Very low	34.9	Very low	86 Å²	86	116.2 Å²	116.2	60%	0.601	65%	0.654	S	S	*	*			trans	-28.4	145.2	152	55.8	0	0	0	0	114.4
1346	L	30.2	Very low	35	Very low	154 Å²	154	117.8 Å²	117.8	81%	0.806	66%	0.664	S	S	*	*				-154.2	169.1	65.4	-89.7	168	0	0	0	115.7
1347	S	29.8	Very low	34.9	Very low	98 Å²	98	112.9 Å²	112.9	69%	0.685	66%	0.661	S	S	*	*			trans	-38.1	160.8	151.7	51.9	0	0	0	0	114
1348	S	30.9	Very low	35	Very low	90 Å²	90	113.1 Å²	113.1	63%	0.629	66%	0.661	S	S	*	*			cis	-150.5	140.5	31.5	172.5	0	0	0	0	109.2
1349	V	34.3	Very low	35.1	Very low	120 Å²	120	116.3 Å²	116.3	73%	0.727	67%	0.667	S	S	*	*				64.6	145.4	62.5	157.4	0	0	0	0	112.8
1350	R	34.4	Very low	35.1	Very low	163 Å²	163	122.3 Å²	122.3	62%	0.615	69%	0.686	S	S	*	*			trans	78.2	137.6	-179.5	-67.8	166	-171.2	-133.3	-1.6	114.7	N280	N280-R1350 PolarHBondContact OD1-NH1 2.93Å
1351	K	38.4	Very low	34.9	Very low	89 Å²	89	125.2 Å²	125.2	39%	0.387	70%	0.699	S	S	.	*			cis	-162	165.8	-4	-129.6	170.7	-179.6	-121.2	0	113.5
1352	E	39.4	Very low	34.7	Very low	144 Å²	144	127.4 Å²	127.4	67%	0.673	71%	0.706	S	S	*	*			trans	32	150.2	136.8	-81.6	152.9	-144.5	0	0	121.6
1353	S	38.9	Very low	34.5	Very low	119 Å²	119	131.6 Å²	131.6	83%	0.832	72%	0.715	S	S	*	*			cis	-162.2	-156.7	1.1	53	0	0	0	0	108.5
1354	G	36	Very low	34.6	Very low	67 Å²	67	129.7 Å²	129.7	69%	0.691	72%	0.716	S	S	*	*			trans	141.2	28.6	161.8	0	0	0	0	0	120.6
1355	L	38.9	Very low	34.9	Very low	153 Å²	153	128.1 Å²	128.1	80%	0.801	72%	0.718	S	S	*	*			trans	29.5	148.9	143.9	-72.4	171.1	0	0	0	123.8
1356	T	36.3	Very low	35	Very low	136 Å²	136	132.8 Å²	132.8	83%	0.834	73%	0.727	S	S	*	*			trans	70	135.1	151.9	49.6	0	0	0	0	119.8
1357	G	33	Very low	35.3	Very low	72 Å²	72	130.9 Å²	130.9	74%	0.742	73%	0.727	S	S	*	*			trans	-169	0.3	-175.5	0	0	0	0	0	119.6
1358	V	36.4	Very low	35.6	Very low	114 Å²	114	132.9 Å²	132.9	69%	0.691	74%	0.735	S	S	*	*			trans	56.8	113.1	148.6	-179.7	0	0	0	0	119.9
1359	R	35.4	Very low	35.9	Very low	210 Å²	210	134.5 Å²	134.5	79%	0.792	73%	0.732	S	S	*	*			trans	77.7	120.2	146.5	-72.8	170.8	-176.1	171.7	0.9	122.4
1360	K	35.6	Very low	36.1	Very low	164 Å²	164	134.1 Å²	134.1	71%	0.713	73%	0.73	S	S	*	*				96	142.5	116.1	-86.1	-178.4	176.7	-174.9	0	122
1361	L	32.4	Very low	36.3	Very low	136 Å²	136	132 Å²	132	71%	0.712	74%	0.737	S	S	*	*			trans	67.2	118.3	141.7	-70.1	170.1	0	0	0	117.6
1362	L	33.9	Very low	36.3	Very low	125 Å²	125	138.1 Å²	138.1	65%	0.654	76%	0.758	S	S	*	*			cis	-176.4	153.8	36	-94.3	151.1	0	0	0	113.5
1363	K	33.6	Very low	36	Very low	185 Å²	185	134 Å²	134	80%	0.804	74%	0.742	S	S	*	*			trans	49.4	105.8	143.5	-68.7	170.6	-177.3	168.4	0	121.1
1364	T	33.8	Very low	35.8	Very low	140 Å²	140	132.5 Å²	132.5	86%	0.859	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-91.4	136.7	136.2	46	0	0	0	0	110.4
1365	P	39.5	Very low	35.8	Very low	126 Å²	126	131.3 Å²	131.3	82%	0.818	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-89.5	153.9	175.3	33.5	-33.2	0	0	0	113.5
1366	K	34.5	Very low	35.8	Very low	183 Å²	183	129.6 Å²	129.6	80%	0.796	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-88.1	150	-175.7	-60.6	-176.6	177.3	-171.8	0	113.7
1367	S	35	Very low	35.9	Very low	115 Å²	115	127.6 Å²	127.6	80%	0.804	71%	0.707	S	S	*	*			trans	-166.5	151.6	148.3	61.9	0	0	0	0	111.3
1368	V	37	Very low	36.2	Very low	140 Å²	140	130.5 Å²	130.5	85%	0.848	70%	0.702	S	S	*	*			cis	-150.2	146.1	-21.9	128.7	0	0	0	0	107.4
1369	Q	37.5	Very low	36.1	Very low	124 Å²	124	130.6 Å²	130.6	58%	0.579	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-83.6	169.6	-169.6	-139.2	84.1	-17.7	0	0	115.1	E1604	Q1369-E1604 VanDerWaalsContact CG-OE1 3.29Å; Q1369-E1604 WeakPolarHBondContact CG-OE1 3.29Å; Q1369-E1604 PolarHBondContact NE2-OE1 2.76Å; Q1369-E1604 PolarHBondContact NE2-OE2 2.66Å; Q1369-E1604 VanDerWaalsContact NE2-OE2 3.13Å
1370	T	38.9	Very low	36.4	Very low	111 Å²	111	127.8 Å²	127.8	68%	0.681	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-93.3	139.4	164.3	55.6	0	0	0	0	112
1371	P	38.4	Very low	36.6	Very low	119 Å²	119	127 Å²	127	77%	0.773	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-83.3	133.2	167.8	32.4	-32.4	0	0	0	111.8
1372	R	37.5	Very low	36.8	Very low	217 Å²	217	126.7 Å²	126.7	82%	0.819	69%	0.687	S	S	*	*			trans	-168	63.8	-177.7	-161.5	-154	172.9	-169.3	-6.3	116.2
1373	V	33.9	Very low	37.1	Very low	57 Å²	57	127.7 Å²	127.7	35%	0.345	69%	0.688	S	S	.	*			trans	-116.1	143.3	164.9	-163.6	0	0	0	0	107.7	D1601 T1603	V1373-D1601 VanDerWaalsContact CB-CA 3.49Å; V1373-D1601 HydrophobicContact CB-CB 3.74Å; V1373-D1601 VanDerWaalsContact CB-CG 3.48Å; V1373-D1601 VanDerWaalsContact CB-OD1 3.24Å; V1373-D1601 WeakPolarHBondContact CB-OD1 3.49Å; V1373-D1601 HydrophobicContact CG2-CB 3.6Å; V1373-D1601 VanDerWaalsContact CG2-OD1 3.23Å; V1373-D1601 WeakPolarHBondContact CG2-OD1 3.37Å; V1373-D1601 PolarHBondContact N-OD1 3.36Å; V1373-T1603 HydrophobicContact CG2-CG2 4.41Å
1374	S	33.8	Very low	37.8	Very low	88 Å²	88	124.9 Å²	124.9	62%	0.615	69%	0.689	S	S	*	*			cis	79.6	170.1	34.2	-38.5	0	0	0	0	113.4
1375	G	35.9	Very low	37.9	Very low	43 Å²	43	122.3 Å²	122.3	44%	0.443	68%	0.677	S	S	.	*			trans	78.6	153.7	-171.8	0	0	0	0	0	113.6
1376	V	39.1	Very low	37.9	Very low	117 Å²	117	122.2 Å²	122.2	71%	0.709	67%	0.673	S	S	*	*			cis	-157.3	160.3	2.3	-88.6	0	0	0	0	107.3
1377	S	39.1	Very low	38.1	Very low	93 Å²	93	121.4 Å²	121.4	65%	0.65	67%	0.67	S	S	*	*			cis	-160	-115.7	-14.8	38.8	0	0	0	0	108.4
1378	E	38.7	Very low	38.1	Very low	134 Å²	134	126.1 Å²	126.1	63%	0.626	67%	0.67	S	S	*	*			trans	78.4	87.1	148.3	-53	-43.6	85.6	0	0	124.3
1379	L	34.9	Very low	38.1	Very low	115 Å²	115	128 Å²	128	60%	0.602	67%	0.669	S	S	*	*				78.2	139.1	127.6	-46	-167.8	0	0	0	119.2
1380	F	42	Very low	38.1	Very low	152 Å²	152	133.5 Å²	133.5	67%	0.667	69%	0.685	S	S	*	*			cis	-155.2	143.5	2.1	-109.4	-25.7	0	0	0	111.3
1381	K	40.1	Very low	37.8	Very low	147 Å²	147	131.4 Å²	131.4	64%	0.639	69%	0.686	S	S	*	*			trans	62.5	149.7	130.1	-62	-177.9	160.1	-94	0	122.1
1382	D	35.9	Very low	38	Very low	129 Å²	129	137.6 Å²	137.6	69%	0.69	69%	0.694	S	S	*	*			cis	-155.6	178.4	-13.8	-108.7	-14.8	0	0	0	113.3
1383	E	40.1	Very low	38.2	Very low	146 Å²	146	133.1 Å²	133.1	68%	0.682	69%	0.693	S	S	*	*			trans	-56.6	169.5	179.8	-115.4	-145.6	128.3	0	0	117.2	S1385	E1383-S1385 WeakPolarHBondContact OE1-CB 3.47Å; E1383-S1385 PolarHBondContact OE1-N 3.24Å; E1383-S1385 PolarHBondContact OE1-OG 3.34Å
1384	P	48.2	Very low	38.1	Very low	126 Å²	126	135.9 Å²	135.9	82%	0.818	71%	0.714	S	S	*	*				-138.6	-172.2	54.6	40.9	-21.8	0	0	0	117.4
1385	S	34.9	Very low	37.8	Very low	87 Å²	87	136.7 Å²	136.7	61%	0.608	72%	0.72	S	S	*	*			trans	-143.7	-146.8	-173.2	62.8	0	0	0	0	114.2	E1383	E1383-S1385 WeakPolarHBondContact OE1-CB 3.47Å; E1383-S1385 PolarHBondContact OE1-N 3.24Å; E1383-S1385 PolarHBondContact OE1-OG 3.34Å
1386	V	39.6	Very low	37.8	Very low	123 Å²	123	141 Å²	141	75%	0.745	74%	0.737	S	S	*	*			trans	76.4	134.3	178.4	-172.4	0	0	0	0	114.6
1387	K	39.2	Very low	38	Very low	166 Å²	166	140.7 Å²	140.7	72%	0.722	74%	0.738	S	S	*	*			cis	-160	142.2	38.5	-137.8	151.2	-160.4	169.1	0	113.7
1388	R	36.2	Very low	38.3	Very low	214 Å²	214	141.5 Å²	141.5	81%	0.808	74%	0.741	S	S	*	*			trans	55.9	125.5	145.4	-70.6	179.2	-176	178.6	-0.6	121.2
1389	H	36.9	Very low	38	Very low	179 Å²	179	141.1 Å²	141.1	83%	0.829	75%	0.748	S	S	*	*				67.5	141.6	82.1	-85.2	-37.9	0	0	0	115.3
1390	R	36.6	Very low	37.8	Very low	240 Å²	240	142.3 Å²	142.3	91%	0.906	76%	0.755	S	S	*	*			cis	-142.2	-179.6	6.9	-91.9	167.4	-179	169.8	-1.1	108.4
1391	G	32.2	Very low	37.4	Very low	68 Å²	68	142.2 Å²	142.2	70%	0.701	76%	0.76	S	S	*	*			cis	139.8	121.8	-9.3	0	0	0	0	0	114.9
1392	R	42.3	Very low	36.9	Very low	249 Å²	249	139.9 Å²	139.9	94%	0.94	76%	0.759	S	S	*	*			trans	67.5	164.1	178.3	-88	-179.7	168.4	-168.7	-4.1	116.2
1393	P	41.6	Very low	36.9	Very low	123 Å²	123	136.9 Å²	136.9	80%	0.799	74%	0.741	S	S	*	*			cis	-83.8	-153.4	5.2	40.4	-40.5	0	0	0	113.1
1394	S	32.3	Very low	36.5	Very low	115 Å²	115	133 Å²	133	80%	0.804	73%	0.727	S	S	*	*			cis	-147.7	-156.2	7.8	61.5	0	0	0	0	113.6
1395	S	28.8	Very low	35.8	Very low	104 Å²	104	132.7 Å²	132.7	73%	0.727	71%	0.714	S	S	*	*			trans	-163.4	164.2	-151.5	52.6	0	0	0	0	117.1
1396	V	34	Very low	35.5	Very low	133 Å²	133	132.5 Å²	132.5	81%	0.806	72%	0.718	S	S	*	*			trans	87.4	119.9	161.6	-168.1	0	0	0	0	119.2
1397	P	44.5	Very low	35.1	Very low	111 Å²	111	132.8 Å²	132.8	72%	0.721	72%	0.72	S	S	*	*			trans	-108.8	-146.4	167.8	45	-34.7	0	0	0	110.2
1398	P	45.8	Very low	35	Very low	110 Å²	110	130.6 Å²	130.6	71%	0.714	72%	0.721	S	S	*	*			cis	-138.4	-154.9	-11.1	39.7	-17.3	0	0	0	114.9
1399	T	31.6	Very low	35.1	Very low	126 Å²	126	125.7 Å²	125.7	77%	0.773	72%	0.717	S	S	*	*			trans	115.5	154.7	151.3	-27.7	0	0	0	0	116.2
1400	D	31.7	Very low	34.8	Very low	140 Å²	140	124.2 Å²	124.2	75%	0.749	71%	0.71	S	S	*	*			trans	-122.5	-169.3	-146.9	-57.6	-88.1	0	0	0	115.2
1401	L	31.9	Very low	34.4	Very low	150 Å²	150	117.4 Å²	117.4	79%	0.785	69%	0.69	S	S	*	*			trans	87	148	163.4	-54	-173.9	0	0	0	118.4
1402	T	31.3	Very low	34.2	Very low	99 Å²	99	115.4 Å²	115.4	61%	0.607	67%	0.665	S	S	*	*			cis	-170.1	139.1	-44.9	18.4	0	0	0	0	111.1
1403	E	34.4	Very low	33.6	Very low	66 Å²	66	108.7 Å²	108.7	31%	0.308	65%	0.647	S	S	.	*			trans	61.3	166.8	151.9	-56.1	179.4	155.2	0	0	116.4	N311 Q312 S1653	N311-E1403 PolarHBondContact ND2-OE2 3.36Å; Q312-E1403 PolarHBondContact NE2-OE2 2.91Å; E1403-S1653 CarbonylContact C-O 3.47Å
1404	T	32.8	Very low	33.1	Very low	65 Å²	65	106.2 Å²	106.2	40%	0.399	63%	0.633	S	S	.	*			cis	-148.8	170.6	12.8	-33.5	0	0	0	0	113.8	S1653	T1404-S1653 CarbonylContact C-O 3.59Å; T1404-S1653 WeakPolarHBondContact CA-O 3.38Å; T1404-S1653 PolarHBondContact N-O 2.78Å; T1404-S1653 CarbonylContact O-C 3.07Å; T1404-S1653 VanDerWaalsContact O-O 3.05Å
1405	E	32.1	Very low	33	Very low	118 Å²	118	105.6 Å²	105.6	55%	0.551	63%	0.628	S	S	*	*			trans	-41	169.4	168.4	-63.3	-166.5	128.6	0	0	118.8	G1654 N1655 V1656	E1405-G1654 WeakPolarHBondContact CG-O 3.41Å; E1405-G1654 PolarHBondContact N-O 3.1Å; E1405-N1655 WeakPolarHBondContact CG-O 3.27Å; E1405-V1656 PolarHBondContact OE1-N 3.03Å
1406	A	30.4	Very low	33.2	Very low	83 Å²	83	106.4 Å²	106.4	69%	0.686	63%	0.629	S	S	*	*			cis	-178.7	-163.1	-23	0	0	0	0	0	111.2
1407	V	31.4	Very low	33.1	Very low	130 Å²	130	111 Å²	111	79%	0.788	63%	0.632	S	S	*	*			trans	86.6	106.1	157.7	-170.8	0	0	0	0	120.7
1408	T	35.7	Very low	32.6	Very low	120 Å²	120	113.1 Å²	113.1	74%	0.736	63%	0.629	S	S	*	*			trans	4.4	152.9	141.5	59.4	0	0	0	0	121.3
1409	P	39.6	Very low	31.9	Very low	111 Å²	111	115.3 Å²	115.3	72%	0.721	63%	0.63	S	S	*	*				-162	171.9	51.7	46.5	-24.8	0	0	0	123.2
1410	E	28.9	Very low	32	Very low	148 Å²	148	115.4 Å²	115.4	69%	0.692	64%	0.636	S	S	*	*			trans	60.7	156.9	138.6	-73	-107.3	135.6	0	0	122.7
1411	M	29.4	Very low	32	Very low	96 Å²	96	111.9 Å²	111.9	47%	0.473	63%	0.633	S	S	.	*			cis	-171.2	144	-32.7	-139.3	-63.6	167.2	0	0	110.7	R1869 M1870	M1411-R1869 WeakPolarHBondContact O-CA 2.98Å; M1411-M1870 WeakPolarHBondContact O-CA 3.37Å
1412	S	28.6	Very low	32	Very low	27 Å²	27	110.7 Å²	110.7	19%	0.189	63%	0.627	C	S	.	*			trans	87.2	98.6	166	74.9	0	0	0	0	118.6	M1870 T1871	S1412-M1870 CarbonylContact O-C 3.59Å; S1412-M1870 WeakPolarHBondContact O-CA 2.86Å; S1412-M1870 WeakPolarHBondContact O-CB 3.35Å; S1412-M1870 WeakPolarHBondContact O-CE 3.11Å; S1412-M1870 WeakPolarHBondContact O-CG 3.29Å; S1412-T1871 CarbonylContact C-O 3.54Å; S1412-T1871 WeakPolarHBondContact CA-OG1 3.26Å; S1412-T1871 PolarHBondContact N-OG1 3.4Å; S1412-T1871 PolarHBondContact O-N 2.9Å
1413	L	29.9	Very low	32	Very low	108 Å²	108	111.6 Å²	111.6	57%	0.565	63%	0.632	S	S	*	*				82.2	142.5	100.8	-69.4	165.1	0	0	0	114.9	T1871	L1413-T1871 CarbonylContact C-O 3.52Å; L1413-T1871 VanDerWaalsContact N-C 3.32Å; L1413-T1871 PolarHBondContact N-O 3.05Å; L1413-T1871 PolarHBondContact N-OG1 3.15Å; L1413-T1871 VanDerWaalsContact N-OG1 3.11Å
1414	S	29.7	Very low	31.8	Very low	70 Å²	70	111.1 Å²	111.1	49%	0.49	65%	0.645	S	S	.	*			cis	179	157.3	-5.6	52.3	0	0	0	0	115
1415	S	30.5	Very low	31.7	Very low	102 Å²	102	111.3 Å²	111.3	71%	0.713	65%	0.646	S	S	*	*			trans	67.9	-179.2	144.8	77.2	0	0	0	0	115.6
1416	V	32.4	Very low	31.7	Very low	122 Å²	122	113.4 Å²	113.4	74%	0.739	65%	0.649	S	S	*	*			cis	-133.9	134.8	23.3	-175	0	0	0	0	112.4
1417	R	33.3	Very low	31.8	Very low	229 Å²	229	118.6 Å²	118.6	86%	0.864	66%	0.656	S	S	*	*			trans	-51.9	167.4	165.4	-59	162.8	165.4	157.7	-4.8	112.5
1418	K	33.3	Very low	31.8	Very low	155 Å²	155	117.3 Å²	117.3	67%	0.674	64%	0.644	S	S	*	*				-171.3	153	121.6	-105.6	162.2	165.1	-72.6	0	114.5
1419	E	31.9	Very low	31.6	Very low	157 Å²	157	116.3 Å²	116.3	73%	0.734	63%	0.634	S	S	*	*			trans	29.1	142.2	145.3	-69.8	135.3	-153.5	0	0	120.4
1420	S	31.9	Very low	31.2	Very low	127 Å²	127	119.5 Å²	119.5	89%	0.888	64%	0.636	S	S	*	*			cis	-144.7	-152.7	17.4	63.5	0	0	0	0	109.6
1421	G	31.8	Very low	31.5	Very low	67 Å²	67	118.5 Å²	118.5	69%	0.691	64%	0.641	S	S	*	*			cis	175.1	119.7	14.8	0	0	0	0	0	109.9
1422	L	33.3	Very low	31.7	Very low	125 Å²	125	119.2 Å²	119.2	65%	0.654	65%	0.652	S	S	*	*			trans	-62.6	148.9	-165.8	-70.7	153.9	0	0	0	118
1423	T	30.7	Very low	32.2	Very low	118 Å²	118	127.2 Å²	127.2	72%	0.724	68%	0.683	S	S	*	*			trans	65.2	115.1	142.5	54.5	0	0	0	0	121.9
1424	G	30.6	Very low	32.1	Very low	56 Å²	56	127.9 Å²	127.9	58%	0.577	70%	0.697	S	S	*	*			trans	-143.9	36.9	-177.9	0	0	0	0	0	119.3	R1426	G1424-R1426 PolarHBondContact O-N 2.85Å
1425	V	30.6	Very low	32.4	Very low	69 Å²	69	131.2 Å²	131.2	42%	0.418	71%	0.714	S	S	.	*			trans	64.7	-4.9	152.7	-168.8	0	0	0	0	122	N512 N513 R514	N512-V1425 CarbonylContact O-C 3.3Å; N512-V1425 WeakPolarHBondContact O-CB 3.04Å; N513-V1425 PolarHBondContact N-O 3.39Å; R514-V1425 PolarHBondContact N-O 2.91Å
1426	R	31.7	Very low	32.5	Very low	161 Å²	161	134.4 Å²	134.4	61%	0.608	72%	0.718	S	S	*	*			trans	65.8	-175.5	151.1	-43	107.6	-168.2	152.2	1.2	118.9	N512 N513 R514 G1424	N512-R1426 PolarHBondContact O-N 2.92Å; N513-R1426 CarbonylContact C-O 3.04Å; N513-R1426 VanDerWaalsContact CA-O 3.31Å; N513-R1426 WeakPolarHBondContact CA-O 3.48Å; N513-R1426 PolarHBondContact N-O 3.11Å; R514-R1426 PolarHBondContact N-O 2.81Å; G1424-R1426 PolarHBondContact O-N 2.85Å
1427	K	31.9	Very low	32.6	Very low	192 Å²	192	134.7 Å²	134.7	84%	0.835	72%	0.72	S	S	*	*			trans	-132.9	162.6	-177.1	-68.9	-178.4	177.4	178.8	0	113.2	R514 V515	R514-K1427 CarbonylContact O-C 2.81Å; V515-K1427 VanDerWaalsContact O-O 3.13Å
1428	L	33.3	Very low	32.8	Very low	103 Å²	103	129.8 Å²	129.8	54%	0.539	72%	0.718	S	S	.	*			trans	-84.1	154.4	-164.2	-96.4	168.4	0	0	0	118.2	R514 V515	R514-L1428 HydrophobicContact CB-CG 4.32Å; R514-L1428 WeakPolarHBondContact O-CA 3.34Å; R514-L1428 PolarHBondContact O-N 2.8Å; V515-L1428 HydrophobicContact CB-CD2 3.94Å; V515-L1428 HydrophobicContact CG1-CD2 3.95Å; V515-L1428 WeakPolarHBondContact O-CA 3.34Å
1429	L	29.9	Very low	32.8	Very low	99 Å²	99	133.8 Å²	133.8	52%	0.518	73%	0.729	S	S	.	*			trans	-12.5	148	144	-63.5	171.7	0	0	0	116.8	V515	V515-L1429 HydrophobicContact CG1-CD1 3.77Å; V515-L1429 HydrophobicContact CG1-CD2 4.41Å; V515-L1429 HydrophobicContact CG1-CG 3.82Å; V515-L1429 PolarHBondContact O-N 2.87Å
1430	K	31.3	Very low	32.9	Very low	179 Å²	179	132.8 Å²	132.8	78%	0.778	73%	0.733	S	S	*	*			cis	-167.1	148.3	43.6	-137.3	151.2	-174.8	-180	0	115
1431	T	36.2	Very low	33	Very low	127 Å²	127	132.2 Å²	132.2	78%	0.779	73%	0.729	S	S	*	*			trans	-39.1	149	169.3	53.9	0	0	0	0	119.5
1432	P	33.5	Very low	33.2	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	73%	0.729	S	S	*	*				-124.2	158.9	125.2	36.8	-29.6	0	0	0	111.9
1433	K	38	Very low	33.5	Very low	195 Å²	195	132.6 Å²	132.6	85%	0.848	74%	0.737	S	S	*	*			cis	-153.8	129.8	-13.9	-103.8	161.2	-173.6	171.7	0	106.6
1434	S	29.5	Very low	33.9	Very low	123 Å²	123	131.4 Å²	131.4	86%	0.86	73%	0.733	S	S	*	*			trans	-94.3	125.5	165.1	44.6	0	0	0	0	109.6	Q1436	S1434-Q1436 PolarHBondContact O-N 3.06Å
1435	V	35.2	Very low	34.3	Very low	139 Å²	139	136.6 Å²	136.6	84%	0.842	74%	0.742	S	S	*	*			trans	-84.9	111.8	-177.4	176.2	0	0	0	0	110.1
1436	Q	32.9	Very low	34.5	Very low	170 Å²	170	139.6 Å²	139.6	79%	0.794	76%	0.755	S	S	*	*			trans	-167.6	115	141.3	-115.1	172.3	5.2	0	0	114.3	S1434	S1434-Q1436 PolarHBondContact O-N 3.06Å
1437	T	34.6	Very low	35	Very low	128 Å²	128	140.1 Å²	140.1	79%	0.785	76%	0.762	S	S	*	*			trans	66.6	157.1	144.5	44.3	0	0	0	0	120
1438	P	37.1	Very low	35.4	Very low	126 Å²	126	137.8 Å²	137.8	82%	0.818	75%	0.752	S	S	*	*			trans	-110.8	174.7	-136.4	41.1	-37	0	0	0	118.5
1439	R	32.3	Very low	35.5	Very low	238 Å²	238	137.9 Å²	137.9	90%	0.898	75%	0.753	S	S	*	*			trans	-60.5	159.3	175.3	-56.8	161.3	163.3	163.6	-10.4	114.5
1440	V	35.3	Very low	35.9	Very low	137 Å²	137	140.9 Å²	140.9	83%	0.83	77%	0.765	S	S	*	*				-147.5	134.7	129.5	-150.6	0	0	0	0	111.7
1441	S	34.1	Very low	36.4	Very low	115 Å²	115	137.1 Å²	137.1	80%	0.804	76%	0.758	S	S	*	*			trans	46.7	139.2	150.5	61.5	0	0	0	0	124.7
1442	G	35.9	Very low	36.3	Very low	67 Å²	67	136.2 Å²	136.2	69%	0.691	76%	0.757	S	S	*	*			trans	120.1	74.7	157	0	0	0	0	0	114.3
1443	V	38.3	Very low	36.4	Very low	133 Å²	133	136.5 Å²	136.5	81%	0.806	76%	0.757	S	S	*	*				89.9	138.2	62.1	175.4	0	0	0	0	112.7
1444	S	38.8	Very low	36.2	Very low	93 Å²	93	132.5 Å²	132.5	65%	0.65	74%	0.739	S	S	*	*			trans	59.7	141.8	175.1	47.2	0	0	0	0	119.7
1445	E	39.4	Very low	36.5	Very low	164 Å²	164	135.2 Å²	135.2	77%	0.766	73%	0.731	S	S	*	*			cis	-159.8	155.9	-12.1	-113.5	148.4	-152.1	0	0	111.1
1446	L	35.2	Very low	36.4	Very low	133 Å²	133	132.8 Å²	132.8	70%	0.696	71%	0.71	S	S	*	*			trans	31.4	138.5	145.3	-52.7	167.7	0	0	0	119.9
1447	F	42.9	Very low	36.4	Very low	171 Å²	171	134.7 Å²	134.7	75%	0.75	71%	0.71	S	S	*	*			cis	-160.3	-162.8	7.5	-108.5	-34.6	0	0	0	106.1
1448	K	40.1	Very low	36.2	Very low	143 Å²	143	131.4 Å²	131.4	62%	0.622	70%	0.701	S	S	*	*			cis	-169.3	175.5	-14.4	-108.8	176.6	152.5	-70.4	0	104.5
1449	D	35.5	Very low	36.3	Very low	106 Å²	106	137 Å²	137	57%	0.567	71%	0.706	S	S	*	*			cis	-158.6	168.4	-10.4	-91.6	-34.9	0	0	0	105
1450	E	37.7	Very low	36.5	Very low	162 Å²	162	130 Å²	130	76%	0.757	69%	0.692	S	S	*	*			cis	86.1	147.7	11.7	-51.2	-50.9	160	0	0	118.9
1451	P	42.3	Very low	36.3	Very low	99 Å²	99	128.3 Å²	128.3	64%	0.643	69%	0.686	S	S	*	*			cis	-139.1	140.7	-31.1	36	-17.2	0	0	0	117.4
1452	S	32.8	Very low	36	Very low	108 Å²	108	127.4 Å²	127.4	76%	0.755	68%	0.68	S	S	*	*				64	156.3	129.9	85.3	0	0	0	0	126.3
1453	V	35.6	Very low	36	Very low	116 Å²	116	130.8 Å²	130.8	70%	0.703	69%	0.686	S	S	*	*			trans	101.8	151.4	149.2	171.6	0	0	0	0	121.4
1454	K	35.4	Very low	36.4	Very low	112 Å²	112	129.9 Å²	129.9	49%	0.487	68%	0.683	S	S	.	*			trans	-147.1	149.1	-140.3	27.7	52.5	-170.1	166.2	0	118	R836 V837	R836-K1454 PolarHBondContact NE-O 2.93Å; V837-K1454 HydrophobicContact CB-CD 4.34Å; V837-K1454 HydrophobicContact CG1-CD 4.05Å; V837-K1454 HydrophobicContact CG2-CD 4.1Å; V837-K1454 HydrophobicContact CG2-CG 4.42Å
1455	R	35.1	Very low	36.6	Very low	179 Å²	179	130 Å²	130	68%	0.675	68%	0.682	S	S	*	*			trans	-123.7	-134	173.7	-152.5	77.5	-173.3	-122.7	8.3	113.9	R836	R836-R1455 VanDerWaalsContact CB-O 3.23Å; R836-R1455 WeakPolarHBondContact CB-O 3.48Å; R836-R1455 WeakPolarHBondContact CG-O 3.15Å; R836-R1455 PolarHBondContact N-O 2.81Å
1456	H	33.1	Very low	36.2	Very low	88 Å²	88	127.2 Å²	127.2	41%	0.407	68%	0.676	S	S	.	*			trans	-144.9	-171	-154.1	-78.1	-79.9	0	0	0	112.8	R836	R836-H1456 WeakPolarHBondContact CB-CE1 3.48Å; R836-H1456 WeakPolarHBondContact CB-ND1 3.24Å
1457	R	33.1	Very low	35.9	Very low	210 Å²	210	127.1 Å²	127.1	79%	0.792	68%	0.677	S	S	*	*			cis	-162.2	168.4	4.4	-133.7	158.6	-166.1	-170.4	1.9	109.7
1458	G	31.1	Very low	35.3	Very low	59 Å²	59	126 Å²	126	61%	0.608	68%	0.678	S	S	*	*			trans	80.4	140.3	168.5	0	0	0	0	0	115.7
1459	R	38.2	Very low	34.8	Very low	243 Å²	243	124.2 Å²	124.2	92%	0.917	68%	0.679	S	S	*	*			cis	64.4	148.4	4.2	-119.1	-154.4	167.8	-152.6	-1.3	115.8
1460	P	37.5	Very low	34.5	Very low	92 Å²	92	126.7 Å²	126.7	60%	0.597	69%	0.687	S	S	*	*			cis	-135.5	179.1	0.5	44.2	-27.2	0	0	0	117
1461	S	30	Very low	34.1	Very low	102 Å²	102	124.3 Å²	124.3	71%	0.713	68%	0.683	S	S	*	*			trans	39.8	177.8	141.1	68.3	0	0	0	0	121.1
1462	S	29.1	Very low	33.5	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	69%	0.694	S	S	*	*			cis	-145.7	141.8	6.6	-31.6	0	0	0	0	108.9
1463	V	34.7	Very low	33.4	Very low	137 Å²	137	126.8 Å²	126.8	83%	0.83	69%	0.688	S	S	*	*				81	143.1	85.9	174	0	0	0	0	112.3
1464	P	46.4	Very low	33.2	Very low	114 Å²	114	127.4 Å²	127.4	74%	0.74	69%	0.692	S	S	*	*			trans	-115.3	-103.8	-140.8	31.8	-9.5	0	0	0	113.2
1465	P	43.5	Very low	33.2	Very low	95 Å²	95	128 Å²	128	62%	0.617	70%	0.704	S	S	*	*			cis	-127.8	-159.8	-21.2	26.3	1	0	0	0	113.1
1466	T	31.5	Very low	33.6	Very low	106 Å²	106	124.4 Å²	124.4	65%	0.65	71%	0.705	S	S	*	*			trans	45.5	148.7	136.2	50.8	0	0	0	0	122.8
1467	D	28.4	Very low	33.4	Very low	132 Å²	132	127.3 Å²	127.3	71%	0.706	72%	0.718	S	S	*	*			cis	-173.2	169.9	-15.7	-114.7	-5.6	0	0	0	110.1
1468	L	29.6	Very low	33.2	Very low	147 Å²	147	123.7 Å²	123.7	77%	0.77	71%	0.712	S	S	*	*			trans	60.9	172.8	156.9	-67	161.2	0	0	0	116.2
1469	T	29.2	Very low	33.2	Very low	105 Å²	105	124.7 Å²	124.7	64%	0.644	71%	0.71	S	S	*	*			cis	-127.3	161.9	-14.5	-2.1	0	0	0	0	106.6
1470	E	30.8	Very low	32.8	Very low	159 Å²	159	119.9 Å²	119.9	74%	0.743	70%	0.701	S	S	*	*				42.3	137.7	83.8	-46.7	-174.4	156.5	0	0	114.1
1471	T	29	Very low	32.4	Very low	111 Å²	111	120.9 Å²	120.9	68%	0.681	71%	0.711	S	S	*	*			cis	-156.6	166.4	17	-19	0	0	0	0	110.9
1472	E	30.2	Very low	32.4	Very low	183 Å²	183	120.1 Å²	120.1	86%	0.855	71%	0.706	S	S	*	*			trans	61	172.1	152.8	-74.6	176.3	-164.3	0	0	118.3
1473	A	29.3	Very low	32.5	Very low	77 Å²	77	120.9 Å²	120.9	64%	0.636	71%	0.706	S	S	*	*			cis	-156.9	-174.7	-40.5	0	0	0	0	0	109.2
1474	V	31.6	Very low	32.4	Very low	129 Å²	129	124.5 Å²	124.5	78%	0.782	71%	0.705	S	S	*	*			trans	67.9	107.9	162.6	-147.4	0	0	0	0	118
1475	T	35.9	Very low	31.9	Very low	123 Å²	123	124.6 Å²	124.6	76%	0.755	69%	0.693	S	S	*	*				-7.5	169.6	128.3	24.6	0	0	0	0	120.5
1476	P	43.5	Very low	31.5	Very low	105 Å²	105	124.2 Å²	124.2	68%	0.682	68%	0.683	S	S	*	*			cis	-142.8	-160.8	-7.7	34.1	-10	0	0	0	115
1477	E	29.2	Very low	31.6	Very low	149 Å²	149	122.4 Å²	122.4	70%	0.696	68%	0.675	S	S	*	*			trans	80.2	159.5	136.4	-86	-67.1	99.3	0	0	122.4
1478	M	28.9	Very low	31.8	Very low	133 Å²	133	117.9 Å²	117.9	66%	0.655	66%	0.659	S	S	*	*			trans	58.1	89.7	161.6	-73.3	-66.2	123.5	0	0	120.8
1479	S	30.7	Very low	32.2	Very low	81 Å²	81	118 Å²	118	57%	0.566	66%	0.66	S	S	*	*				-14.1	154.9	119.9	49.6	0	0	0	0	117.3
1480	L	30.6	Very low	32.3	Very low	141 Å²	141	119.6 Å²	119.6	74%	0.738	67%	0.67	S	S	*	*				-171.8	143.3	74.6	-88.4	169.7	0	0	0	114.5
1481	S	29	Very low	32.3	Very low	114 Å²	114	115.1 Å²	115.1	80%	0.797	67%	0.666	S	S	*	*			trans	61.6	-176.2	145	83.8	0	0	0	0	117.1
1482	S	29.1	Very low	32.4	Very low	86 Å²	86	115.6 Å²	115.6	60%	0.601	67%	0.669	S	S	*	*			cis	-140.2	133.2	-16	110.3	0	0	0	0	107
1483	V	31.3	Very low	32.6	Very low	111 Å²	111	117 Å²	117	67%	0.673	67%	0.666	S	S	*	*				75.6	137.4	83	170.4	0	0	0	0	113.8
1484	R	32.7	Very low	32.8	Very low	214 Å²	214	122 Å²	122	81%	0.808	67%	0.674	S	S	*	*			trans	68.7	160.3	169.1	-71.1	166.5	-177.8	-173.1	1.1	116.1
1485	K	35.5	Very low	32.8	Very low	115 Å²	115	121.9 Å²	121.9	50%	0.5	67%	0.668	S	S	.	*			cis	-159	-164.2	-9.4	-119.1	175.8	175.3	-74.3	0	114.3	K717	K717-K1485 CarbonylContact O-C 3.53Å
1486	E	34.9	Very low	32.7	Very low	87 Å²	87	122.1 Å²	122.1	41%	0.407	66%	0.664	S	S	.	*			trans	-52.3	-173	-176	-65.5	96.8	-147.1	0	0	117.9	V716 K717	V716-E1486 WeakPolarHBondContact O-CA 3.35Å; V716-E1486 WeakPolarHBondContact O-CB 3.04Å; V716-E1486 WeakPolarHBondContact O-CG 3.49Å; K717-E1486 WeakPolarHBondContact O-CA 3.32Å
1487	S	33.9	Very low	32.3	Very low	69 Å²	69	125 Å²	125	48%	0.483	67%	0.666	S	S	.	*			cis	-150.2	178.7	7.2	-161.4	0	0	0	0	114.4	V716 K717	V716-S1487 WeakPolarHBondContact O-CA 3.37Å; K717-S1487 WeakPolarHBondContact CD-O 3.34Å; K717-S1487 VanDerWaalsContact CE-O 3.24Å; K717-S1487 WeakPolarHBondContact CE-O 3.45Å; K717-S1487 PolarHBondContact NZ-O 2.91Å
1488	G	32.1	Very low	32.5	Very low	36 Å²	36	124 Å²	124	37%	0.371	67%	0.67	S	S	.	*			trans	113.7	98.5	147.1	0	0	0	0	0	118.5	K717	K717-G1488 WeakPolarHBondContact CE-O 3.15Å; K717-G1488 PolarHBondContact NZ-O 2.84Å
1489	L	38.3	Very low	33.3	Very low	149 Å²	149	122.8 Å²	122.8	78%	0.78	67%	0.672	S	S	*	*			trans	-77.8	-170.4	167.6	-109.4	169.2	0	0	0	111.9
1490	T	32	Very low	33.5	Very low	139 Å²	139	128.2 Å²	128.2	85%	0.853	69%	0.685	S	S	*	*			trans	74.8	148.1	173.8	80.4	0	0	0	0	116.8
1491	G	30.5	Very low	33.6	Very low	65 Å²	65	126.2 Å²	126.2	67%	0.67	68%	0.683	S	S	*	*			cis	165.3	179.3	-15.7	0	0	0	0	0	115.3
1492	V	31.8	Very low	34	Very low	121 Å²	121	126.2 Å²	126.2	73%	0.733	68%	0.678	S	S	*	*			trans	75	143.1	149	178.5	0	0	0	0	118.8
1493	R	34.6	Very low	34.4	Very low	214 Å²	214	129.8 Å²	129.8	81%	0.808	69%	0.685	S	S	*	*			trans	73.2	121.9	167.1	-78	155.5	-154.9	-158.7	3.3	115.9
1494	K	32.8	Very low	34.4	Very low	181 Å²	181	130.2 Å²	130.2	79%	0.787	69%	0.688	S	S	*	*				68.4	136.1	72.7	-70.6	-167.4	-173.6	180	0	110
1495	L	31.6	Very low	35.1	Very low	127 Å²	127	125.7 Å²	125.7	67%	0.665	69%	0.687	S	S	*	*			cis	-177	170.3	2.3	-121.8	-176.8	0	0	0	109.6
1496	L	33.2	Very low	35.1	Very low	128 Å²	128	132.3 Å²	132.3	67%	0.67	71%	0.708	S	S	*	*			trans	64.3	171	155.2	-56.7	156.6	0	0	0	115.3
1497	K	35.5	Very low	35	Very low	166 Å²	166	133 Å²	133	72%	0.722	72%	0.719	S	S	*	*			cis	-149.9	125.6	-25	-125.9	171.4	-179.5	166.7	0	111.8
1498	T	33.3	Very low	34.9	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	74%	0.737	S	S	*	*			trans	58.7	165.4	139	48.4	0	0	0	0	122.3
1499	P	45.7	Very low	35	Very low	108 Å²	108	137.5 Å²	137.5	70%	0.701	76%	0.756	S	S	*	*			trans	-129.6	-143	-163.6	44.9	-26.9	0	0	0	113.4
1500	K	35.5	Very low	34.7	Very low	195 Å²	195	136.3 Å²	136.3	85%	0.848	76%	0.755	S	S	*	*			trans	89.5	155.3	-172.4	-49	162.4	-175.9	175.6	0	111
1501	S	33.4	Very low	34.9	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	75%	0.753	S	S	*	*			cis	-136.3	160	14.4	-66.8	0	0	0	0	110.2
1502	V	35.8	Very low	34.9	Very low	114 Å²	114	140.3 Å²	140.3	69%	0.691	76%	0.759	S	S	*	*				50.5	138.3	76.2	-161.2	0	0	0	0	112.6
1503	Q	37.8	Very low	34.9	Very low	162 Å²	162	140.8 Å²	140.8	76%	0.757	76%	0.757	S	S	*	*			cis	-110	147.3	7.6	-91.5	88.5	-12.1	0	0	111.7
1504	T	32.5	Very low	34.9	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	75%	0.754	S	S	*	*				70	140	61.5	63.2	0	0	0	0	117.5
1505	P	46.8	Very low	34.9	Very low	119 Å²	119	137.5 Å²	137.5	77%	0.773	75%	0.749	S	S	*	*			trans	-113	-175.9	-160.7	44.2	-35	0	0	0	114.9
1506	R	34.6	Very low	34.9	Very low	253 Å²	253	137 Å²	137	96%	0.955	75%	0.747	S	S	*	*			trans	-147.3	165.1	159.5	-111.7	170.7	-178.5	168.1	-0.4	112.8
1507	V	33.3	Very low	34.9	Very low	103 Å²	103	139.6 Å²	139.6	62%	0.624	76%	0.755	S	S	*	*			trans	-135.1	126.5	-170.1	176.4	0	0	0	0	110.7
1508	S	32.5	Very low	35.3	Very low	123 Å²	123	136.2 Å²	136.2	86%	0.86	75%	0.75	S	S	*	*			trans	177.7	147.6	167.3	49.7	0	0	0	0	107.9
1509	G	34	Very low	35.2	Very low	76 Å²	76	135.4 Å²	135.4	78%	0.784	75%	0.75	S	S	*	*			cis	-167.8	-178.3	-2.6	0	0	0	0	0	109.8
1510	V	32.1	Very low	34.6	Very low	123 Å²	123	135.9 Å²	135.9	75%	0.745	75%	0.75	S	S	*	*			trans	-100.3	130.7	-177.3	176.4	0	0	0	0	111.4
1511	S	35	Very low	34.4	Very low	116 Å²	116	134 Å²	134	81%	0.811	74%	0.742	S	S	*	*			trans	-161.7	142.4	158.4	53.1	0	0	0	0	111.3
1512	E	32	Very low	34.4	Very low	173 Å²	173	140.1 Å²	140.1	81%	0.808	75%	0.75	S	S	*	*			trans	-91.5	-179.2	-178.1	-53.9	-179.9	103	0	0	113.6
1513	L	30.1	Very low	34.2	Very low	130 Å²	130	143 Å²	143	68%	0.681	76%	0.756	S	S	*	*			trans	83.1	145.5	150.3	-71.2	159.2	0	0	0	120.2
1514	F	35.3	Very low	34	Very low	171 Å²	171	147.2 Å²	147.2	75%	0.75	77%	0.765	S	S	*	*			trans	65.8	147.5	172	-47.8	-68.3	0	0	0	116.1
1515	K	33.4	Very low	34	Very low	156 Å²	156	145.2 Å²	145.2	68%	0.678	77%	0.768	S	S	*	*			cis	-159.5	160.7	-21.7	-121.2	171.1	165	-100.7	0	110.1
1516	D	31.2	Very low	33.6	Very low	116 Å²	116	151.2 Å²	151.2	62%	0.62	78%	0.775	S	S	*	*			trans	36.9	136.5	142.9	-50.3	-20.1	0	0	0	123
1517	E	33.7	Very low	33.7	Very low	183 Å²	183	143.7 Å²	143.7	86%	0.855	76%	0.759	S	S	*	*			trans	76.2	158.8	146.6	-73	-75.2	95.2	0	0	121.4
1518	P	43.9	Very low	33.6	Very low	95 Å²	95	143.5 Å²	143.5	62%	0.617	76%	0.763	S	S	*	*			trans	-117.7	-144.4	-162.2	45.8	-34.7	0	0	0	112.8
1519	S	29.8	Very low	33.5	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	76%	0.755	S	S	*	*			trans	86.5	151.9	170.8	-57.4	0	0	0	0	116.8
1520	V	33	Very low	33.5	Very low	117 Å²	117	145 Å²	145	71%	0.709	76%	0.755	S	S	*	*			cis	-166.1	171.4	-33.4	80.8	0	0	0	0	108.5
1521	K	32	Very low	34.3	Very low	157 Å²	157	144.6 Å²	144.6	68%	0.683	76%	0.755	S	S	*	*			trans	54.7	111.5	162.4	-74.2	167.3	-170.8	169.9	0	119.3
1522	R	33.5	Very low	34.9	Very low	227 Å²	227	143.7 Å²	143.7	86%	0.857	75%	0.746	S	S	*	*				163.6	125.9	107.8	-90.2	140.6	178.2	-175	-2.6	109.5
1523	H	31.8	Very low	35.1	Very low	173 Å²	173	140.4 Å²	140.4	80%	0.801	74%	0.739	S	S	*	*				89.3	139.2	56.5	-98.6	-72.9	0	0	0	114.4
1524	R	33.2	Very low	35.3	Very low	251 Å²	251	140.2 Å²	140.2	95%	0.947	74%	0.738	S	S	*	*			trans	90.4	144.3	173.2	-58.1	171.8	175	175.7	-4.3	114.8
1525	G	33.4	Very low	35.3	Very low	79 Å²	79	138.6 Å²	138.6	81%	0.814	74%	0.737	S	S	*	*			trans	135	30.6	-173.7	0	0	0	0	0	118
1526	R	36.9	Very low	35.4	Very low	244 Å²	244	136.1 Å²	136.1	92%	0.921	74%	0.735	S	S	*	*			trans	-73.1	172.8	154.5	-127.3	-169.3	170	-162	-0.7	107.8
1527	P	37	Very low	35.9	Very low	95 Å²	95	138.3 Å²	138.3	62%	0.617	74%	0.741	S	S	*	*			cis	-141.2	-172.4	2.8	36.9	-13.9	0	0	0	116.3
1528	S	31.9	Very low	36.2	Very low	99 Å²	99	134.9 Å²	134.9	69%	0.692	73%	0.733	S	S	*	*			trans	56.2	168.1	142.9	68.9	0	0	0	0	119.6
1529	S	31.1	Very low	36	Very low	100 Å²	100	138.9 Å²	138.9	70%	0.699	74%	0.743	S	S	*	*			cis	-135.3	127.2	6.3	-53.8	0	0	0	0	107.9
1530	V	34	Very low	36.3	Very low	131 Å²	131	137.5 Å²	137.5	79%	0.794	74%	0.739	S	S	*	*				78.9	140.5	84.8	169.5	0	0	0	0	112.9
1531	P	48.7	Very low	36.6	Very low	114 Å²	114	138.6 Å²	138.6	74%	0.74	75%	0.745	S	S	*	*			trans	-111.2	-122.3	-158.9	26.4	0.1	0	0	0	109
1532	P	47.2	Very low	36.9	Very low	97 Å²	97	137.2 Å²	137.2	63%	0.63	75%	0.75	S	S	*	*			cis	-140.6	-157.6	-11.8	36.3	-10.3	0	0	0	115.2
1533	T	36.9	Very low	37.6	Very low	105 Å²	105	131.4 Å²	131.4	64%	0.644	74%	0.742	S	S	*	*			trans	65.8	154.1	147.9	41.5	0	0	0	0	120.2
1534	D	33.9	Very low	37.8	Very low	126 Å²	126	130.5 Å²	130.5	67%	0.674	74%	0.738	S	S	*	*			cis	-122.3	158.9	-1.6	-87.8	-53.2	0	0	0	110.4
1535	L	35.1	Very low	38	Very low	137 Å²	137	125 Å²	125	72%	0.717	72%	0.724	S	S	*	*				63.8	147.2	57.7	-48.7	-175.2	0	0	0	112.5
1536	T	35.9	Very low	38	Very low	104 Å²	104	125.5 Å²	125.5	64%	0.638	72%	0.715	S	S	*	*			cis	-138	144.7	23.1	44.7	0	0	0	0	111.9
1537	E	41.3	Very low	37.8	Very low	162 Å²	162	121 Å²	121	76%	0.757	71%	0.709	S	S	*	*				82.6	162	99.9	-61	165.4	175.6	0	0	114.2
1538	T	39.1	Very low	37.7	Very low	110 Å²	110	121.4 Å²	121.4	68%	0.675	71%	0.714	S	S	*	*			cis	-146.7	148.1	12	-16.9	0	0	0	0	112
1539	E	40.8	Very low	37.8	Very low	180 Å²	180	121 Å²	121	84%	0.841	71%	0.711	S	S	*	*			trans	38.3	155.7	133.2	-78.2	-175.4	162	0	0	124.5
1540	A	36.4	Very low	38	Very low	80 Å²	80	121.7 Å²	121.7	66%	0.661	71%	0.711	S	S	*	*			cis	-161.7	-171.7	2.8	0	0	0	0	0	113
1541	V	39.2	Very low	38.1	Very low	140 Å²	140	124.7 Å²	124.7	85%	0.848	71%	0.708	S	S	*	*			trans	99.9	131.3	159.3	-167.7	0	0	0	0	117.1
1542	T	37.4	Very low	37.6	Very low	127 Å²	127	126 Å²	126	78%	0.779	70%	0.702	S	S	*	*			trans	-151.8	-163.1	-159.9	-12.9	0	0	0	0	106.1
1543	P	48.3	Very low	37.1	Very low	105 Å²	105	128.6 Å²	128.6	68%	0.682	71%	0.706	S	S	*	*			cis	-141.3	-166.5	-13.7	36.8	-13.6	0	0	0	115.8
1544	E	36	Very low	37	Very low	155 Å²	155	128.9 Å²	128.9	72%	0.724	71%	0.712	S	S	*	*			trans	70.9	160	147.5	-68.3	-97.3	89.2	0	0	119.1
1545	M	37.2	Very low	37	Very low	135 Å²	135	126.2 Å²	126.2	67%	0.665	72%	0.715	S	S	*	*			cis	-151	158.8	7.4	-134.1	-111	179.3	0	0	114.3
1546	S	33.5	Very low	37	Very low	89 Å²	89	127.2 Å²	127.2	62%	0.622	72%	0.72	S	S	*	*			trans	50.5	161.7	148.9	53.2	0	0	0	0	124.7
1547	L	33.5	Very low	36.9	Very low	150 Å²	150	129 Å²	129	79%	0.785	73%	0.731	S	S	*	*			cis	-161.3	148.3	-28.2	-106.3	170.8	0	0	0	113.5
1548	S	33.8	Very low	36.5	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	73%	0.731	S	S	*	*			trans	62.7	177.9	148.4	83.4	0	0	0	0	119.7
1549	S	34	Very low	36.2	Very low	89 Å²	89	125.6 Å²	125.6	62%	0.622	74%	0.735	S	S	*	*			cis	-144.5	147.4	-5.2	84.2	0	0	0	0	110.4
1550	V	36.9	Very low	35.8	Very low	116 Å²	116	127.5 Å²	127.5	70%	0.703	74%	0.735	S	S	*	*				76.9	141.6	94.7	168.6	0	0	0	0	114.8
1551	R	35.9	Very low	35.6	Very low	194 Å²	194	131.5 Å²	131.5	73%	0.732	74%	0.737	S	S	*	*			cis	-162.9	170.2	-17.2	-115.1	-176.9	176.4	166.3	-1.4	111.2
1552	K	37.9	Very low	35.2	Very low	141 Å²	141	131.5 Å²	131.5	61%	0.613	73%	0.732	S	S	*	*			trans	60.2	160	141.7	-74.9	-168.4	178.8	-73.9	0	121.8
1553	E	36.2	Very low	34.8	Very low	152 Å²	152	131.4 Å²	131.4	71%	0.71	73%	0.725	S	S	*	*			cis	-157.2	-156.5	-35	-137.5	152.6	-125.5	0	0	113
1554	S	35.1	Very low	34	Very low	110 Å²	110	135 Å²	135	77%	0.769	73%	0.73	S	S	*	*			trans	-101.1	162	-151.6	52.9	0	0	0	0	119.7
1555	G	33.2	Very low	34.3	Very low	71 Å²	71	133.4 Å²	133.4	73%	0.732	73%	0.731	S	S	*	*			trans	104.4	166	146.8	0	0	0	0	0	117.5
1556	L	35.7	Very low	34.4	Very low	157 Å²	157	132.9 Å²	132.9	82%	0.822	74%	0.738	S	S	*	*			cis	-172.5	154.9	-32.4	-124.3	177.3	0	0	0	109.2
1557	T	33.4	Very low	34.6	Very low	143 Å²	143	138 Å²	138	88%	0.877	75%	0.749	S	S	*	*			trans	63.4	177.6	170.9	73.2	0	0	0	0	118
1558	G	32.3	Very low	34.5	Very low	73 Å²	73	136.2 Å²	136.2	75%	0.753	75%	0.749	S	S	*	*			trans	141.5	40.9	173.9	0	0	0	0	0	120.1
1559	V	32.9	Very low	34.6	Very low	126 Å²	126	137.3 Å²	137.3	76%	0.764	75%	0.751	S	S	*	*			trans	-50.8	150.8	-178.9	169.5	0	0	0	0	117.3
1560	R	32.1	Very low	34.6	Very low	221 Å²	221	141.5 Å²	141.5	83%	0.834	76%	0.761	S	S	*	*			trans	70.9	161.7	161.5	-84	166.7	-166.1	-176.4	4.6	116.5
1561	K	33.3	Very low	34.6	Very low	163 Å²	163	141.9 Å²	141.9	71%	0.709	76%	0.764	S	S	*	*			cis	-167.4	162.6	-22	-130.1	179.9	-179.8	-176.9	0	108
1562	L	29.9	Very low	35.2	Very low	141 Å²	141	137.3 Å²	137.3	74%	0.738	76%	0.759	S	S	*	*			trans	66.4	166.7	152.9	-67.8	170.9	0	0	0	116.5
1563	L	30.2	Very low	34.9	Very low	124 Å²	124	141.6 Å²	141.6	65%	0.649	77%	0.771	S	S	*	*			cis	-150.4	154.7	1.8	-119	151.5	0	0	0	112.2
1564	K	30.3	Very low	34.7	Very low	181 Å²	181	140 Å²	140	79%	0.787	77%	0.772	S	S	*	*			trans	19.9	129.1	157.7	-74	165.8	-160.1	169.6	0	125
1565	T	42.4	Very low	34.6	Very low	121 Å²	121	140.3 Å²	140.3	74%	0.742	77%	0.774	S	S	*	*			trans	-29.3	158	140.2	57.1	0	0	0	0	119.6
1566	P	39.7	Very low	34.6	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	77%	0.773	S	S	*	*				-128.9	160.2	103.5	7.9	13.8	0	0	0	113.3
1567	K	37.2	Very low	34.7	Very low	196 Å²	196	139.1 Å²	139.1	85%	0.852	77%	0.773	S	S	*	*			cis	103.2	104.7	25	-106.5	-168.7	178.5	-174.1	0	115.6
1568	S	32.4	Very low	34.8	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	77%	0.767	S	S	*	*			trans	179.1	130.6	144.7	26.2	0	0	0	0	108.1
1569	V	34.8	Very low	35.1	Very low	127 Å²	127	141 Å²	141	77%	0.77	76%	0.764	S	S	*	*				78.1	126.4	51.8	178.5	0	0	0	0	109.9
1570	Q	35	Very low	35.3	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	76%	0.756	S	S	*	*			cis	-151.2	-169.9	44.2	-144.3	149.9	23.4	0	0	115.2
1571	T	37	Very low	35.7	Very low	124 Å²	124	136.7 Å²	136.7	76%	0.761	75%	0.746	S	S	*	*			trans	-149.8	-161.5	-172.5	60.6	0	0	0	0	109.7
1572	P	47.9	Very low	36	Very low	97 Å²	97	135.8 Å²	135.8	63%	0.63	74%	0.742	S	S	*	*			cis	-131.4	-151.7	-36.4	27.4	-2.4	0	0	0	112.6
1573	R	32.8	Very low	36.2	Very low	231 Å²	231	135.8 Å²	135.8	87%	0.872	74%	0.743	S	S	*	*			trans	81.2	153.3	153.4	-73.2	177.5	174.5	169.7	-2.5	118.8
1574	V	31.3	Very low	36.4	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	75%	0.753	S	S	*	*			cis	-163.3	159.3	-10	114.7	0	0	0	0	115.1
1575	S	32.4	Very low	36.9	Very low	115 Å²	115	134.3 Å²	134.3	80%	0.804	74%	0.744	S	S	*	*			trans	61.7	157.3	157.8	62.7	0	0	0	0	125.2
1576	G	34.1	Very low	36.4	Very low	70 Å²	70	133.6 Å²	133.6	72%	0.722	74%	0.743	S	S	*	*			trans	111.5	82.1	163.4	0	0	0	0	0	115.9
1577	V	36.8	Very low	36.3	Very low	133 Å²	133	133.5 Å²	133.5	81%	0.806	74%	0.74	S	S	*	*				87.6	112.2	59	178.3	0	0	0	0	114.7
1578	S	36.4	Very low	36.1	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	74%	0.736	S	S	*	*			trans	74.4	169.1	164	82.3	0	0	0	0	117.3
1579	E	39	Very low	36.1	Very low	145 Å²	145	137 Å²	137	68%	0.678	74%	0.736	S	S	*	*			cis	-141.4	-134.9	-3.4	-143.4	-97.7	154.7	0	0	112.7
1580	L	36.8	Very low	36	Very low	114 Å²	114	135.8 Å²	135.8	60%	0.597	72%	0.721	S	S	*	*			trans	-138.1	170.1	-152.4	-68.5	174.9	0	0	0	118.5
1581	F	39.7	Very low	35.9	Very low	144 Å²	144	138 Å²	138	63%	0.632	72%	0.722	S	S	*	*			trans	87.8	113.5	144.1	-70	-40.7	0	0	0	124.3
1582	K	38.9	Very low	35.6	Very low	144 Å²	144	135.6 Å²	135.6	63%	0.626	72%	0.721	S	S	*	*				89.7	110.2	122.1	-71.3	173.3	-178.8	129.8	0	122.7
1583	D	34.3	Very low	35.3	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	73%	0.727	S	S	*	*				91.8	138.8	115.6	-59.9	-10.9	0	0	0	124.9
1584	E	35.2	Very low	35.6	Very low	183 Å²	183	133.3 Å²	133.3	86%	0.855	71%	0.711	S	S	*	*			trans	72.1	148.1	153.3	-81.4	-84.6	106.3	0	0	122.8
1585	P	41.4	Very low	35.7	Very low	91 Å²	91	131.5 Å²	131.5	59%	0.591	70%	0.704	S	S	*	*			trans	-132.4	-168.4	-166.9	39.5	-18.7	0	0	0	115.7
1586	S	31.3	Very low	35.7	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	70%	0.696	S	S	*	*			trans	106.2	158.7	149.7	-54.2	0	0	0	0	121
1587	V	37.1	Very low	35.8	Very low	123 Å²	123	132.3 Å²	132.3	75%	0.745	69%	0.694	S	S	*	*			trans	80.4	83.3	157.9	-157.9	0	0	0	0	121.2
1588	K	33.4	Very low	36.3	Very low	177 Å²	177	130.5 Å²	130.5	77%	0.77	69%	0.685	S	S	*	*				41.6	124	114.4	-68.8	165.9	-173.8	151.1	0	121.7
1589	R	32.4	Very low	36.9	Very low	205 Å²	205	128.4 Å²	128.4	77%	0.774	67%	0.668	S	S	*	*				93.9	117.7	122.3	-75.7	174.5	175.1	-173	1.4	123.6
1590	H	32.7	Very low	36.7	Very low	102 Å²	102	125.9 Å²	125.9	47%	0.472	66%	0.663	S	S	.	*				82.9	134.1	122.4	-94.2	-58	0	0	0	124.1	K958	K958-H1590 PolarHBondContact NZ-CE1 3.48Å; K958-H1590 PolarHBondContact NZ-NE2 2.77Å
1591	R	32.6	Very low	36.4	Very low	225 Å²	225	123.1 Å²	123.1	85%	0.849	65%	0.649	S	S	*	*			trans	84.5	147.7	156.3	-63.4	157.6	171.4	170.9	-5.3	115.9
1592	G	30.7	Very low	36.1	Very low	72 Å²	72	123.4 Å²	123.4	74%	0.742	66%	0.656	S	S	*	*			cis	177.7	179.4	-4	0	0	0	0	0	115.6
1593	R	42.2	Very low	35.8	Very low	197 Å²	197	119.9 Å²	119.9	74%	0.743	65%	0.647	S	S	*	*			trans	-62	165.7	169.7	-118.5	-164.9	-176.4	-170.6	0.3	112.2	T954	T954-R1593 VanDerWaalsContact CG2-NH1 3.33Å
1594	P	39.3	Very low	35.7	Very low	84 Å²	84	118.8 Å²	118.8	55%	0.545	64%	0.637	S	S	.	*				-144.5	176	51.2	42.3	-21.5	0	0	0	117
1595	S	32.7	Very low	35.6	Very low	81 Å²	81	114.6 Å²	114.6	57%	0.566	62%	0.624	S	S	*	*				106	160.9	115.8	60.9	0	0	0	0	111.2
1596	S	32.4	Very low	35.1	Very low	92 Å²	92	118.3 Å²	118.3	64%	0.643	63%	0.633	S	S	*	*			cis	-151.7	129.9	1.7	-20.2	0	0	0	0	108.5
1597	V	36.7	Very low	35	Very low	111 Å²	111	117.2 Å²	117.2	67%	0.673	63%	0.631	S	S	*	*				101.5	144.6	97.7	165.8	0	0	0	0	112.7	L953	L953-V1597 HydrophobicContact CD1-CG2 4.09Å
1598	P	46.7	Very low	34.7	Very low	95 Å²	95	118.2 Å²	118.2	62%	0.617	64%	0.637	S	S	*	*			trans	-119.9	-147.2	-168.7	45.7	-28.4	0	0	0	110.4
1599	P	49.9	Very low	34.6	Very low	65 Å²	65	115.7 Å²	115.7	42%	0.422	64%	0.637	S	S	.	*			cis	-128.3	-151.5	-11.4	39.1	-16.7	0	0	0	113.1
1600	T	33.5	Very low	35	Very low	93 Å²	93	111.1 Å²	111.1	57%	0.571	63%	0.634	S	S	*	*				-167	162.9	79.7	-58	0	0	0	0	113.2
1601	D	31.2	Very low	34.8	Very low	55 Å²	55	114 Å²	114	29%	0.294	65%	0.647	S	S	.	*			trans	-57.9	162.1	174.2	-44.4	-114.2	0	0	0	114	V1373	V1373-D1601 VanDerWaalsContact CB-CA 3.49Å; V1373-D1601 HydrophobicContact CB-CB 3.74Å; V1373-D1601 VanDerWaalsContact CB-CG 3.48Å; V1373-D1601 VanDerWaalsContact CB-OD1 3.24Å; V1373-D1601 WeakPolarHBondContact CB-OD1 3.49Å; V1373-D1601 HydrophobicContact CG2-CB 3.6Å; V1373-D1601 VanDerWaalsContact CG2-OD1 3.23Å; V1373-D1601 WeakPolarHBondContact CG2-OD1 3.37Å; V1373-D1601 PolarHBondContact N-OD1 3.36Å
1602	L	33.8	Very low	34.7	Very low	150 Å²	150	110.4 Å²	110.4	79%	0.785	64%	0.642	S	S	*	*				-165.6	128.6	65.1	-77.7	170.4	0	0	0	109.5
1603	T	32.1	Very low	34.7	Very low	71 Å²	71	112.3 Å²	112.3	44%	0.436	64%	0.644	S	S	.	*				77.5	113.2	74.1	63.4	0	0	0	0	118.2	V1373	V1373-T1603 HydrophobicContact CG2-CG2 4.41Å
1604	E	32.9	Very low	34.1	Very low	117 Å²	117	110.5 Å²	110.5	55%	0.547	65%	0.648	S	S	.	*			trans	76	154.2	135.9	-63.6	162.3	-177.5	0	0	117.9	Q1369	Q1369-E1604 VanDerWaalsContact CG-OE1 3.29Å; Q1369-E1604 WeakPolarHBondContact CG-OE1 3.29Å; Q1369-E1604 PolarHBondContact NE2-OE1 2.76Å; Q1369-E1604 PolarHBondContact NE2-OE2 2.66Å; Q1369-E1604 VanDerWaalsContact NE2-OE2 3.13Å
1605	T	33.3	Very low	34	Very low	96 Å²	96	110.9 Å²	110.9	59%	0.589	65%	0.653	S	S	*	*			cis	-151.8	-177.7	25.2	-26.6	0	0	0	0	113.2
1606	E	30.6	Very low	34.2	Very low	168 Å²	168	112.1 Å²	112.1	79%	0.785	66%	0.661	S	S	*	*			trans	-22.7	158	155.2	-67.9	160.6	155.4	0	0	118.5
1607	A	28.5	Very low	34.8	Very low	83 Å²	83	113.5 Å²	113.5	69%	0.686	67%	0.666	S	S	*	*			cis	-175	-170.6	-10.6	0	0	0	0	0	110.5
1608	V	30.2	Very low	35.3	Very low	143 Å²	143	119.2 Å²	119.2	87%	0.867	68%	0.675	S	S	*	*			trans	85.9	147.7	165.4	-166.2	0	0	0	0	117.2
1609	T	31.6	Very low	34.9	Very low	125 Å²	125	122.3 Å²	122.3	77%	0.767	68%	0.679	S	S	*	*			trans	-91.1	-177.3	-176.2	50.8	0	0	0	0	111.9
1610	P	41.2	Very low	34.3	Very low	109 Å²	109	126 Å²	126	71%	0.708	69%	0.691	S	S	*	*			cis	-145.6	-160.2	14.2	36	-9.5	0	0	0	116.9
1611	E	29.2	Very low	34.6	Very low	163 Å²	163	127.4 Å²	127.4	76%	0.762	70%	0.704	S	S	*	*			trans	88.9	132.1	150	-65.7	-84.8	100.5	0	0	124.2
1612	M	29.9	Very low	35.4	Very low	149 Å²	149	128.5 Å²	128.5	73%	0.734	73%	0.729	S	S	*	*			trans	75.7	94.1	144.5	-66.9	-88	91.9	0	0	124.7
1613	S	30	Very low	35.8	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	73%	0.732	S	S	*	*			trans	79.4	171	148.4	84.1	0	0	0	0	120.2
1614	L	30.9	Very low	36	Very low	159 Å²	159	131.7 Å²	131.7	83%	0.832	75%	0.747	S	S	*	*			cis	-173	166.8	-33.3	-96.3	174	0	0	0	107.1
1615	S	35.7	Very low	36.7	Very low	92 Å²	92	128.5 Å²	128.5	64%	0.643	75%	0.746	S	S	*	*			cis	-165.7	-170.7	-9.4	66.6	0	0	0	0	111
1616	S	37.6	Very low	36.7	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	76%	0.758	S	S	*	*			trans	74	165.9	152	-65	0	0	0	0	121
1617	V	44.5	Very low	36.7	Very low	122 Å²	122	131.9 Å²	131.9	74%	0.739	76%	0.756	S	S	*	*			cis	-168.9	171.3	-34.7	70.7	0	0	0	0	111.7
1618	R	47.6	Very low	37	Very low	231 Å²	231	137.3 Å²	137.3	87%	0.872	76%	0.764	S	S	*	*			trans	69.3	178.4	168.4	-71.7	176.2	-175.5	-173	1.7	118.8
1619	K	39	Very low	37.1	Very low	159 Å²	159	137.8 Å²	137.8	69%	0.691	76%	0.761	S	S	*	*				-162.7	176.6	-67.6	-140	175.3	160.6	-75.1	0	111.5
1620	E	37.6	Very low	37.3	Very low	144 Å²	144	138.6 Å²	138.6	67%	0.673	76%	0.76	S	S	*	*			trans	64.4	168.8	163.2	-93.8	60.8	-78.9	0	0	121
1621	S	38	Very low	37.2	Very low	121 Å²	121	139 Å²	139	85%	0.846	75%	0.75	S	S	*	*			cis	-163	-179	-14.1	57.8	0	0	0	0	112.4
1622	G	48.6	Very low	37.5	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	75%	0.751	S	S	*	*			trans	138.8	155	154.7	0	0	0	0	0	120.7
1623	L	43.1	Very low	38	Very low	162 Å²	162	135.9 Å²	135.9	85%	0.848	75%	0.754	S	S	*	*			trans	-133.5	140.8	172.1	-118.6	-179.6	0	0	0	114
1624	T	35.3	Very low	38.5	Very low	125 Å²	125	140.3 Å²	140.3	77%	0.767	76%	0.759	S	S	*	*			trans	20.2	96.2	169	50.8	0	0	0	0	121.6
1625	G	47.6	Very low	38.8	Very low	51 Å²	51	137 Å²	137	53%	0.526	75%	0.749	S	S	.	*			trans	-136.9	-176.2	178.6	0	0	0	0	0	116.3	R1627	G1625-R1627 PolarHBondContact O-NE 2.77Å; G1625-R1627 PolarHBondContact O-NH2 3.32Å
1626	V	34.1	Very low	39	Very low	139 Å²	139	138.2 Å²	138.2	84%	0.842	75%	0.752	S	S	*	*			trans	-139.7	134.7	-155.4	178.5	0	0	0	0	114
1627	R	30.6	Very low	39	Very low	196 Å²	196	141.7 Å²	141.7	74%	0.74	76%	0.757	S	S	*	*			cis	-168.5	21.5	-31.3	-131.8	156.6	-90	-179.2	-3.4	114.4	G1625	G1625-R1627 PolarHBondContact O-NE 2.77Å; G1625-R1627 PolarHBondContact O-NH2 3.32Å
1628	K	33.6	Very low	39.1	Very low	197 Å²	197	141.6 Å²	141.6	86%	0.857	76%	0.756	S	S	*	*			trans	-150.8	143.6	-171.5	-135	-177	-173	-178	0	113.6
1629	L	34	Very low	38.4	Very low	153 Å²	153	136.6 Å²	136.6	80%	0.801	75%	0.754	S	S	*	*			trans	84.1	127.6	169.5	-65.1	167.7	0	0	0	120.1
1630	L	35	Very low	38.2	Very low	141 Å²	141	140.2 Å²	140.2	74%	0.738	76%	0.763	S	S	*	*			trans	65.4	122.3	147.1	-67.9	164.4	0	0	0	123.5
1631	K	40	Very low	37.8	Very low	117 Å²	117	139.5 Å²	139.5	51%	0.509	77%	0.768	S	S	.	*			trans	84.2	179.6	148.6	-66.1	179.5	-178.5	178.1	0	120.4	S1892 L1893	K1631-S1892 PolarHBondContact NZ-O 3.21Å; K1631-L1893 PolarHBondContact NZ-O 2.72Å
1632	T	34.8	Very low	37.4	Very low	127 Å²	127	139 Å²	139	78%	0.779	77%	0.765	S	S	*	*			trans	-147	168.3	-140.8	47.9	0	0	0	0	111.6
1633	P	41.1	Very low	36.9	Very low	121 Å²	121	138.2 Å²	138.2	79%	0.786	76%	0.757	S	S	*	*			cis	-143.3	130	-24.9	33.9	-12.2	0	0	0	116.7
1634	K	39.6	Very low	36.2	Very low	203 Å²	203	137 Å²	137	88%	0.883	76%	0.756	S	S	*	*			trans	-157.9	171.7	167.8	-148.9	-140.3	171.2	-177.6	0	115.5
1635	S	38	Very low	36	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	75%	0.746	S	S	*	*			trans	-166.7	-165.8	174.4	56.7	0	0	0	0	113
1636	V	38.4	Very low	35.2	Very low	118 Å²	118	140.1 Å²	140.1	72%	0.715	76%	0.757	S	S	*	*			trans	79.9	143.2	172	-170.2	0	0	0	0	114
1637	Q	39.5	Very low	35.1	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	75%	0.746	S	S	*	*			cis	-141.7	-136.3	29	-151.7	158.3	-69.9	0	0	116.4
1638	T	46.6	Very low	35.3	Very low	119 Å²	119	137.2 Å²	137.2	73%	0.73	74%	0.743	S	S	*	*			trans	-137	171.8	-172	54.4	0	0	0	0	113.2
1639	P	31.4	Very low	35.4	Very low	127 Å²	127	133 Å²	133	83%	0.825	73%	0.725	S	S	*	*			trans	-135.6	176.1	142.5	39.2	-26.8	0	0	0	115.8
1640	R	35.7	Very low	35.3	Very low	235 Å²	235	130.4 Å²	130.4	89%	0.887	71%	0.712	S	S	*	*			trans	-92.8	-170.8	177.3	-64.4	173.6	170.3	150.6	-6.9	110.8
1641	V	29.6	Very low	35.5	Very low	128 Å²	128	128.3 Å²	128.3	78%	0.776	70%	0.699	S	S	*	*			cis	-148.7	-173.1	17.4	-130.9	0	0	0	0	108
1642	S	29.5	Very low	35.4	Very low	111 Å²	111	127.4 Å²	127.4	78%	0.776	71%	0.705	S	S	*	*			cis	-165.4	173.4	2.9	29.6	0	0	0	0	107.5
1643	G	36.5	Very low	35.2	Very low	63 Å²	63	125.1 Å²	125.1	65%	0.649	69%	0.694	S	S	*	*			cis	-110.4	-173.7	-8.6	0	0	0	0	0	112
1644	V	30.4	Very low	34.7	Very low	135 Å²	135	120.7 Å²	120.7	82%	0.818	67%	0.67	S	S	*	*			cis	66.1	114.4	28	-167.9	0	0	0	0	109.1
1645	S	30.3	Very low	34.2	Very low	79 Å²	79	117.1 Å²	117.1	55%	0.552	66%	0.661	S	S	*	*			cis	-137.4	159.1	46.5	-88.6	0	0	0	0	117.1
1646	E	31.4	Very low	34.2	Very low	163 Å²	163	118.6 Å²	118.6	76%	0.762	67%	0.666	S	S	*	*			trans	54.1	152.1	139.1	-68.8	131.1	-126.8	0	0	122.2
1647	L	31.4	Very low	33.8	Very low	119 Å²	119	118.8 Å²	118.8	62%	0.623	67%	0.671	S	S	*	*			cis	-155.9	158.9	-8.6	-110.9	163.6	0	0	0	111.7
1648	F	34.9	Very low	33.5	Very low	155 Å²	155	120.7 Å²	120.7	68%	0.68	67%	0.672	S	S	*	*			trans	56.6	147.1	156.4	-62.8	-37.6	0	0	0	121.2
1649	K	35.6	Very low	32.7	Very low	108 Å²	108	126.1 Å²	126.1	47%	0.47	68%	0.679	S	S	.	*			cis	-150	126.7	-11.1	-103.3	163.8	-170.8	-174.6	0	111.7	E807	E807-K1649 WeakPolarHBondContact OE1-CE 3.31Å; E807-K1649 IonicContact OE1-NZ 3.26Å; E807-K1649 PolarHBondContact OE1-NZ 3.22Å; E807-K1649 VanDerWaalsContact OE2-CE 3.32Å; E807-K1649 WeakPolarHBondContact OE2-CE 3.5Å; E807-K1649 IonicContact OE2-NZ 3.67Å; E807-K1649 PolarHBondContact OE2-NZ 2.78Å
1650	D	31.9	Very low	33.1	Very low	100 Å²	100	125.7 Å²	125.7	54%	0.535	67%	0.674	S	S	.	*				58.4	132.6	127	-46.2	-15.8	0	0	0	126
1651	E	38.5	Very low	32.9	Very low	96 Å²	96	122.7 Å²	122.7	45%	0.449	67%	0.67	S	S	.	*			trans	51.3	160.2	144	-76.8	-170.3	163.4	0	0	126.1	L810 S811	L810-E1651 WeakPolarHBondContact CB-OE1 3.18Å; L810-E1651 VanDerWaalsContact O-CG 3.29Å; L810-E1651 WeakPolarHBondContact O-CG 3.41Å; S811-E1651 VanDerWaalsContact CB-OE1 3.3Å; S811-E1651 WeakPolarHBondContact CB-OE1 3.34Å; S811-E1651 WeakPolarHBondContact O-CG 3.34Å; S811-E1651 PolarHBondContact OG-OE1 2.94Å
1652	P	38.6	Very low	33	Very low	98 Å²	98	123.1 Å²	123.1	64%	0.636	67%	0.668	S	S	*	*			cis	-134.9	-161.2	-26.9	35.5	-15.4	0	0	0	115.4
1653	S	31.3	Very low	33.1	Very low	79 Å²	79	123.6 Å²	123.6	55%	0.552	67%	0.666	S	S	*	*			trans	-78	171.6	173.3	58.1	0	0	0	0	114.4	E1403 T1404	E1403-S1653 CarbonylContact C-O 3.47Å; T1404-S1653 CarbonylContact C-O 3.59Å; T1404-S1653 WeakPolarHBondContact CA-O 3.38Å; T1404-S1653 PolarHBondContact N-O 2.78Å; T1404-S1653 CarbonylContact O-C 3.07Å; T1404-S1653 VanDerWaalsContact O-O 3.05Å
1654	G	29.8	Very low	32.8	Very low	28 Å²	28	125.4 Å²	125.4	29%	0.289	67%	0.669	S	S	.	*			cis	157.3	-171.4	9.8	0	0	0	0	0	112.6	E1405	E1405-G1654 WeakPolarHBondContact CG-O 3.41Å; E1405-G1654 PolarHBondContact N-O 3.1Å
1655	N	29.6	Very low	32.8	Very low	128 Å²	128	124 Å²	124	68%	0.684	66%	0.657	S	S	*	*			trans	46.8	109.5	168.4	-59.7	-26.1	0	0	0	120.2	E1405	E1405-N1655 WeakPolarHBondContact CG-O 3.27Å
1656	V	37.2	Very low	32.8	Very low	121 Å²	121	125.4 Å²	125.4	73%	0.733	66%	0.662	S	S	*	*				58.2	103.4	74.6	-176.5	0	0	0	0	117.3	E1405	E1405-V1656 PolarHBondContact OE1-N 3.03Å
1657	C	29.2	Very low	32.8	Very low	122 Å²	122	123 Å²	123	82%	0.824	66%	0.659	S	S	*	*			trans	-158.6	170.2	146.9	-151	0	0	0	0	115.4
1658	Y	33.2	Very low	32.7	Very low	221 Å²	221	121.8 Å²	121.8	87%	0.867	66%	0.66	S	S	*	*			trans	-109.8	136.7	170	-92.6	-120.6	0	0	0	109.8
1659	R	29.8	Very low	32.6	Very low	232 Å²	232	122.4 Å²	122.4	88%	0.875	67%	0.669	S	S	*	*			trans	-163.3	175.6	137.6	-122.1	175.6	172.6	-172.7	-8	115.3
1660	V	40.5	Very low	32.5	Very low	119 Å²	119	121.9 Å²	121.9	72%	0.721	68%	0.679	S	S	*	*			trans	-137.1	134	-170.9	171	0	0	0	0	109.5
1661	Q	30.7	Very low	32.7	Very low	171 Å²	171	122.2 Å²	122.2	80%	0.799	69%	0.687	S	S	*	*			trans	-172.4	128.8	141.3	-101.8	158.5	-11.4	0	0	106.6
1662	N	33.5	Very low	32.3	Very low	137 Å²	137	121.6 Å²	121.6	73%	0.733	69%	0.693	S	S	*	*				64.4	142.9	92.1	-60.6	7.2	0	0	0	112
1663	V	30.9	Very low	31.9	Very low	122 Å²	122	126.9 Å²	126.9	74%	0.739	70%	0.702	S	S	*	*			cis	-149.6	131.4	38.2	172.8	0	0	0	0	112.1
1664	S	31	Very low	32	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	71%	0.705	S	S	*	*			trans	66.6	168.5	153.7	87	0	0	0	0	118.5
1665	N	29.2	Very low	32.1	Very low	107 Å²	107	133.8 Å²	133.8	57%	0.572	73%	0.725	S	S	*	*			cis	-152.1	168.4	-12.7	-132.4	-7.6	0	0	0	111.5	E1338	E1338-N1665 PolarHBondContact OE1-ND2 3.12Å
1666	V	31.6	Very low	32.3	Very low	108 Å²	108	135.7 Å²	135.7	66%	0.655	73%	0.734	S	S	*	*			trans	53.8	130.1	143.3	169.8	0	0	0	0	119.8
1667	T	30.2	Very low	32.3	Very low	113 Å²	113	135 Å²	135	69%	0.693	73%	0.733	S	S	*	*			cis	-160.3	173.2	-16.8	32	0	0	0	0	109.6
1668	S	28.6	Very low	32.5	Very low	93 Å²	93	136 Å²	136	65%	0.65	73%	0.725	S	S	*	*			trans	11.2	135.9	150.6	64.2	0	0	0	0	119.6
1669	L	33.4	Very low	32.6	Very low	167 Å²	167	130.7 Å²	130.7	87%	0.874	72%	0.719	S	S	*	*				-158.5	165.8	73.8	-94.3	165	0	0	0	114.7
1670	S	32.9	Very low	32.7	Very low	98 Å²	98	125.3 Å²	125.3	69%	0.685	71%	0.707	S	S	*	*			trans	-105.7	-172.8	170.7	71	0	0	0	0	109.4
1671	P	37.8	Very low	32.4	Very low	107 Å²	107	126.5 Å²	126.5	70%	0.695	71%	0.709	S	S	*	*			cis	-137.8	-156.5	-7.9	34.8	-11.8	0	0	0	113.1
1672	S	29.5	Very low	32.4	Very low	82 Å²	82	127 Å²	127	57%	0.573	71%	0.709	S	S	*	*			trans	92.6	118.2	136.3	65.3	0	0	0	0	124.1
1673	Y	29.8	Very low	32.5	Very low	209 Å²	209	128.4 Å²	128.4	82%	0.82	71%	0.711	S	S	*	*			trans	47.3	111.4	132.5	-72.3	-79.2	0	0	0	123.9
1674	C	33.7	Very low	32.4	Very low	92 Å²	92	127.8 Å²	127.8	62%	0.622	71%	0.711	S	S	*	*				-159.5	117.5	121.4	-128.4	0	0	0	0	107.5
1675	K	32.5	Very low	32.6	Very low	161 Å²	161	131.2 Å²	131.2	70%	0.7	72%	0.716	S	S	*	*				74.1	131.3	62.8	-70.6	-176.7	176.4	176.7	0	114.2
1676	L	34	Very low	32.6	Very low	168 Å²	168	130.6 Å²	130.6	88%	0.88	72%	0.719	S	S	*	*			trans	69.8	137.3	175.8	-53.9	162.8	0	0	0	114.7
1677	C	36.8	Very low	32.7	Very low	107 Å²	107	130.7 Å²	130.7	72%	0.723	72%	0.724	S	S	*	*			cis	-138.9	137.2	-18.7	-83.8	0	0	0	0	106.3
1678	H	32.2	Very low	32.8	Very low	141 Å²	141	134.4 Å²	134.4	65%	0.653	73%	0.731	S	S	*	*				73.7	134.7	56	-141	-77	0	0	0	115.5
1679	C	36.4	Very low	33	Very low	110 Å²	110	133.2 Å²	133.2	74%	0.743	73%	0.734	S	S	*	*			trans	77.9	151.8	177.4	-60	0	0	0	0	118.9
1680	L	32.6	Very low	33	Very low	119 Å²	119	133.3 Å²	133.3	62%	0.623	73%	0.727	S	S	*	*			cis	-178.4	154.2	-47.9	-111.7	172.1	0	0	0	109.8
1681	L	33.8	Very low	33.3	Very low	144 Å²	144	134.8 Å²	134.8	75%	0.754	73%	0.727	S	S	*	*			trans	64.4	163.6	161.1	-64	173.3	0	0	0	117.5
1682	F	30.9	Very low	33.1	Very low	181 Å²	181	135.3 Å²	135.3	79%	0.794	73%	0.725	S	S	*	*			cis	-161.4	-176.8	-41.8	-148.9	-121.3	0	0	0	109.7
1683	E	34.1	Very low	33.5	Very low	168 Å²	168	138.3 Å²	138.3	79%	0.785	73%	0.733	S	S	*	*			trans	72.6	149.3	165.3	-62.3	-145	123.8	0	0	121.8
1684	C	29.2	Very low	33.8	Very low	108 Å²	108	134.3 Å²	134.3	73%	0.73	73%	0.731	S	S	*	*			trans	-154.3	134.5	178.6	168.1	0	0	0	0	108.5
1685	Q	35.7	Very low	33.8	Very low	173 Å²	173	132.8 Å²	132.8	81%	0.808	73%	0.73	S	S	*	*			trans	-142.1	150.5	164.7	-74.3	-158.1	16.6	0	0	112.7
1686	C	29.7	Very low	33.9	Very low	94 Å²	94	134.4 Å²	134.4	64%	0.635	74%	0.738	S	S	*	*			trans	-132.5	136.2	-175	-69.1	0	0	0	0	111.7
1687	S	33	Very low	34	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	74%	0.737	S	S	*	*			trans	-167.9	138.8	149	-83.2	0	0	0	0	109.9
1688	F	31.6	Very low	33.9	Very low	191 Å²	191	137.9 Å²	137.9	84%	0.838	74%	0.741	S	S	*	*			cis	84.5	120.8	44.4	-100.6	-78.2	0	0	0	116.1	F1690	F1688-F1690 HydrophobicContact CD1-CD2 4.47Å; F1688-F1690 HydrophobicContact CE1-CD2 4.44Å; F1688-F1690 HydrophobicContact CE1-CE2 4.47Å
1689	G	33.4	Very low	34	Very low	69 Å²	69	142.2 Å²	142.2	71%	0.711	75%	0.752	S	S	*	*			trans	131.1	84.5	178.4	0	0	0	0	0	112.3
1690	F	32.8	Very low	33.7	Very low	169 Å²	169	148.3 Å²	148.3	74%	0.741	76%	0.759	S	S	*	*				65	137.1	58.9	-104.5	-72.8	0	0	0	116.2	F1688	F1688-F1690 HydrophobicContact CD1-CD2 4.47Å; F1688-F1690 HydrophobicContact CE1-CD2 4.44Å; F1688-F1690 HydrophobicContact CE1-CE2 4.47Å
1691	N	39.2	Very low	33.9	Very low	128 Å²	128	154.2 Å²	154.2	68%	0.684	77%	0.773	S	S	*	*			trans	79.4	143.2	165.4	-59.7	-33.9	0	0	0	117
1692	N	35	Very low	33.9	Very low	119 Å²	119	150.4 Å²	150.4	64%	0.636	77%	0.769	S	S	*	*			cis	-164.4	164.5	-5	-127.8	-25.8	0	0	0	114.6
1693	L	36.9	Very low	34	Very low	145 Å²	145	149.1 Å²	149.1	76%	0.759	77%	0.77	S	S	*	*			trans	61.8	160.9	155.2	-60.4	159.9	0	0	0	115.6
1694	T	35.6	Very low	34	Very low	125 Å²	125	147.1 Å²	147.1	77%	0.767	76%	0.764	S	S	*	*			cis	-144.3	155.5	-6	-9.5	0	0	0	0	105.5
1695	G	34.5	Very low	34.3	Very low	59 Å²	59	147.4 Å²	147.4	61%	0.608	76%	0.758	S	S	*	*			cis	98.9	104.9	16.1	0	0	0	0	0	112
1696	K	35.6	Very low	34.3	Very low	196 Å²	196	145.1 Å²	145.1	85%	0.852	76%	0.756	S	S	*	*			trans	-162.9	121.9	154.9	-99	154.4	-174.6	-176.2	0	106.2
1697	R	35.6	Very low	34.7	Very low	233 Å²	233	144.6 Å²	144.6	88%	0.879	76%	0.758	S	S	*	*				89.4	107.1	52.5	-83	-172.7	177.8	-168.3	2.8	112.7
1698	S	33.5	Very low	34.9	Very low	115 Å²	115	146 Å²	146	80%	0.804	75%	0.753	S	S	*	*			trans	-177.8	148	142.5	-115	0	0	0	0	110.4
1699	R	34.3	Very low	35	Very low	231 Å²	231	141.3 Å²	141.3	87%	0.872	74%	0.744	S	S	*	*			cis	-133.9	141.7	-4.3	-71.4	-179.5	171.8	173.5	-4.9	110.4
1700	R	30.7	Very low	35.2	Very low	239 Å²	239	146 Å²	146	90%	0.902	75%	0.752	S	S	*	*	S	Bend	trans	-160	97.6	140.6	-102.6	-161	-179.5	-151.2	-1.8	110.8
1701	R	37	Very low	35.7	Very low	242 Å²	242	143.9 Å²	143.9	91%	0.913	76%	0.755	S	S	*	*			trans	57.4	136.7	156	-55.9	-176.5	176.8	-165.9	-4.7	119.3
1702	G	33.4	Very low	35.5	Very low	64 Å²	64	143 Å²	143	66%	0.66	76%	0.759	S	S	*	*			trans	83	126.4	172.1	0	0	0	0	0	113.3
1703	L	34.1	Very low	35.6	Very low	155 Å²	155	146.2 Å²	146.2	81%	0.812	77%	0.767	S	S	*	*			cis	59.4	115.1	15.7	-76.5	91.6	0	0	0	112
1704	D	34.1	Very low	35.4	Very low	125 Å²	125	149.5 Å²	149.5	67%	0.668	77%	0.769	S	S	*	*			cis	-145.8	165.1	11.7	-68.8	-55.9	0	0	0	115.2
1705	D	34.8	Very low	35.4	Very low	114 Å²	114	148.9 Å²	148.9	61%	0.61	77%	0.765	S	S	*	*			trans	47.9	160	145.6	-63	-10.5	0	0	0	125.3
1706	V	36.4	Very low	35.3	Very low	125 Å²	125	157.4 Å²	157.4	76%	0.758	78%	0.779	S	S	*	*				178.7	144.3	-52.5	141	0	0	0	0	109
1707	A	37.1	Very low	35.1	Very low	83 Å²	83	153.7 Å²	153.7	69%	0.686	78%	0.777	S	S	*	*			trans	66.1	165.6	164.4	0	0	0	0	0	118.6
1708	E	36.4	Very low	34.9	Very low	139 Å²	139	148.7 Å²	148.7	65%	0.65	77%	0.772	S	S	*	*			cis	-152.2	164.9	-4.2	-144.6	166	-153	0	0	116.4
1709	S	34.4	Very low	34.8	Very low	92 Å²	92	151.3 Å²	151.3	64%	0.643	77%	0.769	S	S	*	*			trans	84.2	100.2	142.7	73.3	0	0	0	0	122.8
1710	L	38.4	Very low	34.8	Very low	168 Å²	168	148.9 Å²	148.9	88%	0.88	77%	0.765	S	S	*	*				54.5	166.6	107.9	-67.7	172.7	0	0	0	121.7
1711	P	41.8	Very low	34.6	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	75%	0.753	S	S	*	*			cis	-127.5	-170.3	6.4	43.4	-28.1	0	0	0	115.8
1712	S	35.1	Very low	34.4	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	75%	0.747	S	S	*	*			trans	-160.2	152.6	170.7	-174.2	0	0	0	0	114.4
1713	K	37.1	Very low	34.3	Very low	187 Å²	187	142.2 Å²	142.2	81%	0.813	76%	0.756	S	S	*	*			trans	-179.1	157.2	174.1	-90.7	134.9	-176.8	-176.5	0	108.2
1714	R	34	Very low	34.2	Very low	214 Å²	214	140.4 Å²	140.4	81%	0.808	76%	0.756	S	S	*	*			cis	-162.4	125.3	-8.8	-115.9	-178.8	169.2	169.7	-4.3	108.1
1715	T	34.7	Very low	34.1	Very low	111 Å²	111	139.2 Å²	139.2	68%	0.681	76%	0.758	S	S	*	*				82.2	146.5	85.9	62.5	0	0	0	0	119.5
1716	R	33.1	Very low	34	Very low	238 Å²	238	139.9 Å²	139.9	90%	0.898	77%	0.766	S	S	*	*			trans	82.1	136.1	171.5	-57.6	-179.1	175.3	176.7	-3.2	114.7
1717	C	31.7	Very low	33.9	Very low	119 Å²	119	139.4 Å²	139.4	80%	0.804	76%	0.763	S	S	*	*			cis	-145.5	-150.9	-3.2	-128.4	0	0	0	0	110
1718	V	31.6	Very low	33.6	Very low	127 Å²	127	142.6 Å²	142.6	77%	0.77	76%	0.761	S	S	*	*			cis	-140.8	-97.5	11.7	73.2	0	0	0	0	115.8
1719	F	30.8	Very low	33.4	Very low	170 Å²	170	140.4 Å²	140.4	75%	0.746	76%	0.761	S	S	*	*			trans	-143.6	146	-152	-107.4	-145.5	0	0	0	117.2
1720	K	33.3	Very low	33.2	Very low	181 Å²	181	141.3 Å²	141.3	79%	0.787	76%	0.763	S	S	*	*			trans	60.9	118.1	145.2	-67.7	-174.1	178.1	-175.8	0	122.5
1721	I	27.9	Very low	32.8	Very low	129 Å²	129	140.6 Å²	140.6	66%	0.662	76%	0.76	S	S	*	*			trans	-116.7	153.4	147.9	-71.9	177.9	0	0	0	107.4	I537	I537-I1721 HydrophobicContact CD1-CB 4.24Å; I537-I1721 HydrophobicContact CD1-CD1 3.76Å; I537-I1721 HydrophobicContact CD1-CG1 3.65Å; I537-I1721 HydrophobicContact CD1-CG2 3.77Å; I537-I1721 HydrophobicContact CG1-CD1 4.44Å
1722	A	33.4	Very low	32.3	Very low	94 Å²	94	138.3 Å²	138.3	78%	0.777	75%	0.752	S	S	*	*			trans	-133.1	158.9	165.7	0	0	0	0	0	110.2
1723	E	31.2	Very low	32.2	Very low	181 Å²	181	140.9 Å²	140.9	85%	0.846	76%	0.757	S	S	*	*			trans	-112.8	-176.7	-162.3	-57	177.9	112.8	0	0	113.8
1724	S	31.5	Very low	32.2	Very low	118 Å²	118	140.4 Å²	140.4	83%	0.825	75%	0.751	S	S	*	*			trans	72.5	151.4	160.9	71.2	0	0	0	0	118.8
1725	S	31.3	Very low	32.4	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	75%	0.751	S	S	*	*			cis	-158.6	144.6	-17.5	41.7	0	0	0	0	108.5
1726	V	33.8	Very low	32.4	Very low	129 Å²	129	136.3 Å²	136.3	78%	0.782	75%	0.752	S	S	*	*				48.8	121.3	76.5	-155.6	0	0	0	0	112.4
1727	V	32.9	Very low	32.5	Very low	114 Å²	114	132.7 Å²	132.7	69%	0.691	75%	0.747	S	S	*	*				177.2	129	96.2	152.6	0	0	0	0	112.3
1728	K	31.5	Very low	32.7	Very low	151 Å²	151	136.5 Å²	136.5	66%	0.657	75%	0.75	S	S	*	*			trans	56.7	148.9	146.9	-64.9	-179.1	-170.6	-179.9	0	120.6
1729	S	31.1	Very low	32.9	Very low	93 Å²	93	138.9 Å²	138.9	65%	0.65	76%	0.755	S	S	*	*			cis	74.1	131.9	37.8	85.5	0	0	0	0	113.9
1730	T	31.2	Very low	33.1	Very low	110 Å²	110	136.5 Å²	136.5	68%	0.675	76%	0.759	S	S	*	*				-162.8	166.2	56.9	39.8	0	0	0	0	113.4
1731	D	30.4	Very low	33.2	Very low	153 Å²	153	133 Å²	133	82%	0.818	76%	0.758	S	S	*	*			trans	33.7	155.4	139	-36.8	-29.4	0	0	0	121.2
1732	A	31.2	Very low	33.5	Very low	77 Å²	77	137.6 Å²	137.6	64%	0.636	77%	0.766	S	S	*	*			cis	-160.2	173.1	17.7	0	0	0	0	0	114.7
1733	D	33	Very low	33.5	Very low	163 Å²	163	143 Å²	143	87%	0.872	77%	0.767	S	S	*	*			trans	71.8	157.8	145.6	-58.2	-25.3	0	0	0	124.6
1734	Y	37.2	Very low	33.8	Very low	177 Å²	177	141.4 Å²	141.4	69%	0.694	76%	0.763	S	S	*	*			trans	-133.3	157.4	-169.9	-119.3	-89.6	0	0	0	108.3	V1736	Y1734-V1736 HydrophobicContact CD1-CG2 4.25Å
1735	P	38	Very low	34.1	Very low	125 Å²	125	145.9 Å²	145.9	81%	0.812	77%	0.768	S	S	*	*				-142.5	-164.4	116	33.9	-16.5	0	0	0	114.6
1736	V	35.4	Very low	34.5	Very low	114 Å²	114	151.2 Å²	151.2	69%	0.691	78%	0.775	S	S	*	*			trans	-139.5	167.6	-149.7	-168	0	0	0	0	112.5	Y1734	Y1734-V1736 HydrophobicContact CD1-CG2 4.25Å
1737	M	33.2	Very low	35	Very low	162 Å²	162	150.2 Å²	150.2	80%	0.798	77%	0.771	S	S	*	*			trans	93.5	150.2	170.7	-59.7	-64.6	166.5	0	0	115.3
1738	K	37.2	Very low	35.3	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.865	77%	0.77	S	S	*	*			cis	-147.4	169.5	14.5	-133.9	154.8	-173.5	177.2	0	111
1739	M	35.9	Very low	35.8	Very low	177 Å²	177	147.6 Å²	147.6	87%	0.872	77%	0.772	S	S	*	*			trans	-103.3	155	176.2	-74.4	-166.9	-177.9	0	0	113.8
1740	S	35.1	Very low	36.3	Very low	120 Å²	120	149.1 Å²	149.1	84%	0.839	77%	0.773	S	S	*	*			trans	-161.3	179.7	144.2	64.8	0	0	0	0	111.3
1741	S	35.1	Very low	36.8	Very low	108 Å²	108	151 Å²	151	76%	0.755	77%	0.774	S	S	*	*			trans	-154	155.8	-172.8	-41.6	0	0	0	0	112.4
1742	R	34.1	Very low	37.1	Very low	225 Å²	225	150.9 Å²	150.9	85%	0.849	77%	0.772	S	S	*	*			trans	171.4	142.6	131.5	-95.7	159.7	-175.6	-158.4	2.9	117.1
1743	R	33.6	Very low	37.4	Very low	208 Å²	208	152.5 Å²	152.5	79%	0.785	77%	0.774	S	S	*	*			trans	66.9	108.2	137.7	-72.3	178.4	166	-167.3	-6.8	123.4
1744	L	37.5	Very low	37.6	Very low	148 Å²	148	150.2 Å²	150.2	78%	0.775	77%	0.766	S	S	*	*				43	135.2	103.6	-68.1	168.8	0	0	0	121.7
1745	K	37.8	Very low	37.6	Very low	211 Å²	211	149.3 Å²	149.3	92%	0.917	77%	0.768	S	S	*	*			trans	-156	155.9	136.2	-110.6	170.8	-176.9	-178	0	112.9
1746	Y	39.5	Very low	37.5	Very low	212 Å²	212	149.9 Å²	149.9	83%	0.831	76%	0.764	S	S	*	*			trans	-114.9	166.1	174.1	-93.4	-93.9	0	0	0	109.5
1747	P	44.7	Very low	37.5	Very low	108 Å²	108	148.5 Å²	148.5	70%	0.701	76%	0.759	S	S	*	*				-132.5	168.2	98.4	18.2	3.8	0	0	0	111.8
1748	S	38.4	Very low	37.7	Very low	97 Å²	97	149.2 Å²	149.2	68%	0.678	76%	0.758	S	S	*	*			cis	80.2	145.4	29.2	103	0	0	0	0	114.4
1749	T	41.2	Very low	37.5	Very low	112 Å²	112	145.2 Å²	145.2	69%	0.687	75%	0.75	S	S	*	*			cis	-160.7	149.3	15.4	-5.8	0	0	0	0	113.2
1750	N	43.7	Very low	37.7	Very low	126 Å²	126	145.8 Å²	145.8	67%	0.674	75%	0.747	S	S	*	*			trans	79.6	151.6	137.5	-74.8	21.8	0	0	0	128.3
1751	E	39.7	Very low	37.8	Very low	149 Å²	149	144.7 Å²	144.7	70%	0.696	74%	0.74	S	S	*	*			trans	65.3	116.2	154.9	-79.6	134.5	-115.4	0	0	120.4
1752	L	38.1	Very low	38.3	Very low	151 Å²	151	148.7 Å²	148.7	79%	0.791	74%	0.744	S	S	*	*				82.3	141.8	70.4	-76.7	171.6	0	0	0	112.3
1753	T	36.4	Very low	39	Very low	111 Å²	111	144.4 Å²	144.4	68%	0.681	74%	0.738	S	S	*	*			cis	-159.1	147.8	28.5	-21.3	0	0	0	0	114.1
1754	V	37.4	Very low	39.5	Very low	114 Å²	114	142.7 Å²	142.7	69%	0.691	74%	0.736	S	S	*	*			trans	70.6	117.7	131.8	138.3	0	0	0	0	124.9
1755	Q	37.2	Very low	39.9	Very low	159 Å²	159	143.5 Å²	143.5	74%	0.743	73%	0.733	S	S	*	*			trans	97.2	121.1	131.3	-76.4	-177.8	28.7	0	0	127
1756	L	37.2	Very low	40.1	Very low	137 Å²	137	140 Å²	140	72%	0.717	72%	0.72	S	S	*	*				66.3	100.2	124.4	-68	172.9	0	0	0	124.3
1757	S	33.8	Very low	40.1	Very low	84 Å²	84	135.5 Å²	135.5	59%	0.587	72%	0.715	S	S	*	*				111.9	168.2	92.4	77	0	0	0	0	121.7
1758	K	37.2	Very low	39.8	Very low	178 Å²	178	135.4 Å²	135.4	77%	0.774	72%	0.716	S	S	*	*			trans	85.9	82.7	153.1	-73.3	163.2	-172.9	170.6	0	121
1759	T	35	Very low	39.9	Very low	114 Å²	114	136.2 Å²	136.2	70%	0.699	72%	0.717	S	S	*	*				47.5	129.7	113	58	0	0	0	0	121.8
1760	K	39.3	Very low	39.7	Very low	189 Å²	189	139.5 Å²	139.5	82%	0.822	73%	0.727	S	S	*	*				167.8	118.5	121.2	-86.8	149.4	-171.5	173.7	0	108.2
1761	S	36.8	Very low	39.4	Very low	98 Å²	98	136.4 Å²	136.4	69%	0.685	73%	0.725	S	S	*	*				76.4	143.2	58.1	83.9	0	0	0	0	114.6
1762	K	46.5	Very low	39.2	Very low	192 Å²	192	134 Å²	134	84%	0.835	72%	0.724	S	S	*	*			trans	111.7	139.8	173.9	-68.2	171.2	-178.1	180	0	115.4
1763	N	47.5	Very low	39	Very low	135 Å²	135	133.9 Å²	133.9	72%	0.722	72%	0.72	S	S	*	*			cis	-167.5	163.4	-24.9	-141	-18.7	0	0	0	114.2
1764	K	45.7	Very low	38.8	Very low	171 Å²	171	137.4 Å²	137.4	74%	0.743	72%	0.722	S	S	*	*			trans	76.9	139.5	141	-98.6	178.5	178.9	179	0	123.8
1765	K	44.5	Very low	38.4	Very low	165 Å²	165	135.4 Å²	135.4	72%	0.717	71%	0.713	S	S	*	*			trans	74.7	137.1	154.7	-67.7	-173.3	160.7	-140.5	0	118.2
1766	Q	41.8	Very low	38.2	Very low	137 Å²	137	134.8 Å²	134.8	64%	0.64	72%	0.715	S	S	*	*			cis	-151.7	142.3	-13.8	-120	166.7	-52.6	0	0	107.4
1767	V	39.8	Very low	37.9	Very low	119 Å²	119	131.9 Å²	131.9	72%	0.721	71%	0.711	S	S	*	*				48.6	121.7	103.6	-178.8	0	0	0	0	112
1768	S	38.2	Very low	37.8	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	72%	0.721	S	S	*	*			cis	-166.7	171.5	38.4	20	0	0	0	0	110.6
1769	T	40.6	Very low	37.5	Very low	114 Å²	114	132.4 Å²	132.4	70%	0.699	72%	0.719	S	S	*	*			cis	-179.2	144.7	-18.8	-85.4	0	0	0	0	107.5
1770	M	37.7	Very low	37.5	Very low	182 Å²	182	132.8 Å²	132.8	90%	0.897	72%	0.717	S	S	*	*			trans	65.5	148.4	177.8	-60.1	-95	-84.5	0	0	115.3
1771	G	36.3	Very low	37.2	Very low	61 Å²	61	134 Å²	134	63%	0.629	72%	0.716	S	S	*	*			cis	-148.4	151.5	-7.7	0	0	0	0	0	109.1
1772	S	35.3	Very low	37	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	72%	0.718	S	S	*	*				63.6	117.4	82.9	-174.5	0	0	0	0	112.2
1773	Q	34.9	Very low	36.2	Very low	149 Å²	149	131.6 Å²	131.6	70%	0.696	72%	0.718	S	S	*	*			cis	-154	146.2	2.9	-120.5	171.2	94.7	0	0	108.2
1774	Y	31.2	Very low	35.7	Very low	184 Å²	184	131.3 Å²	131.3	72%	0.722	72%	0.716	S	S	*	*				49.3	128.7	110.2	-83.4	-120.7	0	0	0	113.9	E1204	E1204-Y1774 PolarHBondContact OE2-N 3.36Å
1775	S	30	Very low	35.2	Very low	72 Å²	72	129.8 Å²	129.8	50%	0.503	72%	0.715	S	S	.	*			cis	171.2	178	22.3	43.1	0	0	0	0	111.3
1776	D	32.6	Very low	34.7	Very low	146 Å²	146	126.4 Å²	126.4	78%	0.781	71%	0.708	S	S	*	*			trans	78.6	110.7	138.6	-81.3	16.2	0	0	0	122.2
1777	A	31.6	Very low	34.5	Very low	77 Å²	77	125.5 Å²	125.5	64%	0.636	70%	0.702	S	S	*	*				96.2	103.5	121.3	0	0	0	0	0	116.7
1778	L	30.6	Very low	34.3	Very low	151 Å²	151	123.6 Å²	123.6	79%	0.791	69%	0.693	S	S	*	*				67.9	87.6	73.3	-65.5	169.4	0	0	0	111.2
1779	T	31.8	Very low	34.3	Very low	121 Å²	121	123.9 Å²	123.9	74%	0.742	69%	0.686	S	S	*	*				85.4	114.6	92.3	52.6	0	0	0	0	114.8
1780	D	34.3	Very low	34.2	Very low	122 Å²	122	125.9 Å²	125.9	65%	0.652	69%	0.688	S	S	*	*				-160.2	150.1	119.1	-131.4	16.3	0	0	0	109.6
1781	R	32.5	Very low	34.1	Very low	214 Å²	214	122.3 Å²	122.3	81%	0.808	67%	0.672	S	S	*	*			cis	-142.5	147.6	-3.2	-159.5	161.4	-158.3	129.9	-9.2	110.3
1782	S	32.6	Very low	34	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	68%	0.68	S	S	*	*			trans	-94.6	156.5	-168.9	53.9	0	0	0	0	115.4
1783	V	31.1	Very low	34	Very low	139 Å²	139	128.5 Å²	128.5	84%	0.842	67%	0.671	S	S	*	*			trans	-98.6	116.5	149.3	175.9	0	0	0	0	107.8
1784	N	35.9	Very low	33.9	Very low	129 Å²	129	124.3 Å²	124.3	69%	0.69	66%	0.658	S	S	*	*			trans	-170.9	135.1	160.2	-92.7	-20.4	0	0	0	106.9
1785	I	36.2	Very low	34.3	Very low	138 Å²	138	122.8 Å²	122.8	71%	0.708	66%	0.655	S	S	*	*				86	97.5	56.5	-68.1	-179.4	0	0	0	113
1786	V	34.7	Very low	34.7	Very low	95 Å²	95	124.1 Å²	124.1	58%	0.576	65%	0.653	S	S	*	*			trans	62.2	137.1	132.2	-176.8	0	0	0	0	121.6
1787	K	36.3	Very low	34.9	Very low	118 Å²	118	125 Å²	125	51%	0.513	66%	0.657	S	S	.	*			trans	86.9	140.3	156	-99.3	175.6	165.4	157.1	0	122.2	T2011 S2012 L2013	K1787-T2011 WeakPolarHBondContact CE-O 3.36Å; K1787-T2011 PolarHBondContact NZ-O 3.18Å; K1787-S2012 WeakPolarHBondContact CE-O 3.26Å; K1787-S2012 WeakPolarHBondContact CG-O 3.2Å; K1787-L2013 WeakPolarHBondContact CA-O 3.32Å; K1787-L2013 WeakPolarHBondContact CG-O 3.24Å
1788	S	36.2	Very low	35.3	Very low	78 Å²	78	124.9 Å²	124.9	55%	0.545	65%	0.65	S	S	.	*			trans	71.7	150.7	152.7	-158.6	0	0	0	0	119.5	L2013 P2014 V2015	S1788-L2013 PolarHBondContact N-O 3.03Å; S1788-P2014 CarbonylContact C-O 3.55Å; S1788-P2014 VanDerWaalsContact C-O 3.26Å; S1788-P2014 CarbonylContact O-C 3.41Å; S1788-V2015 PolarHBondContact O-N 2.61Å
1789	L	37.2	Very low	35.4	Very low	112 Å²	112	120.2 Å²	120.2	59%	0.586	64%	0.639	S	S	*	*			cis	-174.5	140.3	-38.8	-170.3	74.2	0	0	0	107.3
1790	E	38.5	Very low	35.5	Very low	156 Å²	156	118 Å²	118	73%	0.729	62%	0.622	S	S	*	*			trans	64.4	162.4	158.3	-91.8	179.3	178.8	0	0	117.6
1791	N	35.7	Very low	35.5	Very low	106 Å²	106	117 Å²	117	57%	0.567	62%	0.615	S	S	*	*			cis	-151.6	161.2	4.2	-141.3	-45	0	0	0	112.2
1792	R	35.7	Very low	35.8	Very low	208 Å²	208	112.9 Å²	112.9	79%	0.785	61%	0.608	S	S	*	*			trans	66.6	141.4	160.5	-58.4	179.5	-176	-178.7	-1.9	118.1
1793	T	34.3	Very low	36.1	Very low	81 Å²	81	112.8 Å²	112.8	50%	0.497	61%	0.605	S	S	.	*			cis	-160.2	147.8	-5.6	9.1	0	0	0	0	112.8
1794	S	33.1	Very low	36.6	Very low	62 Å²	62	111.7 Å²	111.7	43%	0.434	59%	0.594	S	S	.	*			trans	66.3	138.2	141.3	70.9	0	0	0	0	122.2	K239	K239-S1794 WeakPolarHBondContact CE-OG 2.95Å
1795	K	39	Very low	36.7	Very low	151 Å²	151	111.1 Å²	111.1	66%	0.657	60%	0.597	S	S	*	*			trans	70.9	135.7	155.9	-65.5	165.2	158.6	-91	0	115.9
1796	E	39.3	Very low	36.7	Very low	100 Å²	100	109.8 Å²	109.8	47%	0.467	59%	0.591	S	S	.	*			cis	-152.9	160.6	2	-111.2	140.5	-151	0	0	110.6	S241	S241-E1796 VanDerWaalsContact CB-OE2 3.25Å; S241-E1796 WeakPolarHBondContact CB-OE2 3.25Å; S241-E1796 PolarHBondContact OG-OE2 2.99Å
1797	L	36.8	Very low	36.8	Very low	165 Å²	165	112.3 Å²	112.3	86%	0.864	60%	0.602	S	S	*	*			trans	-108.4	140.9	166.9	-91.6	167	0	0	0	108.3
1798	P	38.6	Very low	36.7	Very low	74 Å²	74	112 Å²	112	48%	0.481	61%	0.61	S	S	.	*				-138.5	-172.4	91.2	31.5	-12.3	0	0	0	111.3	V243	V243-P1798 HydrophobicContact CB-CG 4.34Å; V243-P1798 HydrophobicContact CG1-CG 4.11Å; V243-P1798 HydrophobicContact CG2-CG 3.52Å
1799	G	32.9	Very low	36.7	Very low	54 Å²	54	116.5 Å²	116.5	56%	0.557	62%	0.624	S	S	*	*			cis	149.5	-179.9	-0.2	0	0	0	0	0	110.4
1800	L	33.8	Very low	36.6	Very low	73 Å²	73	113 Å²	113	38%	0.382	62%	0.615	S	S	.	*			trans	76.5	152	179.3	-75.6	99.9	0	0	0	119.7	D245 L246	D245-L1800 HydrophobicContact CB-CD2 4.41Å; D245-L1800 WeakPolarHBondContact OD1-CD1 3.38Å; D245-L1800 WeakPolarHBondContact OD1-CD2 3.41Å; L246-L1800 HydrophobicContact CB-CD2 4.18Å; L246-L1800 HydrophobicContact CD1-CB 4.08Å; L246-L1800 HydrophobicContact CD1-CD2 4.34Å
1801	I	35.3	Very low	36.6	Very low	102 Å²	102	113.5 Å²	113.5	52%	0.523	62%	0.623	S	S	.	*			cis	-165.8	128.1	-38.5	-121.2	175.3	0	0	0	107.8	L246	L246-I1801 HydrophobicContact CD2-CG2 4.31Å
1802	I	38.9	Very low	36.3	Very low	127 Å²	127	113.2 Å²	113.2	65%	0.651	62%	0.621	S	S	*	*				64.1	142.1	106.9	-70.2	-176.8	0	0	0	114.5
1803	P	38.2	Very low	36.1	Very low	101 Å²	101	108.1 Å²	108.1	66%	0.656	62%	0.618	S	S	*	*			cis	-120.8	170	26.7	23.4	1.6	0	0	0	115.6
1804	L	41.3	Very low	36.3	Very low	116 Å²	116	115 Å²	115	61%	0.607	63%	0.634	S	S	*	*			cis	69.6	146.3	45.1	-68.2	-179	0	0	0	113.6
1805	P	39.3	Very low	36.6	Very low	117 Å²	117	119.7 Å²	119.7	76%	0.76	65%	0.647	S	S	*	*			cis	-101.8	156.7	31.9	4.1	19.6	0	0	0	114.8
1806	N	35.4	Very low	36.6	Very low	109 Å²	109	122.4 Å²	122.4	58%	0.583	65%	0.653	S	S	*	*				67.1	133.6	63.4	-53.9	-24	0	0	0	112.7
1807	N	36.1	Very low	36.6	Very low	149 Å²	149	126.7 Å²	126.7	80%	0.797	67%	0.67	S	S	*	*			cis	-131.8	172.4	43.5	-89.4	-35.8	0	0	0	116.4
1808	V	34.8	Very low	36.5	Very low	111 Å²	111	123.2 Å²	123.2	67%	0.673	66%	0.66	S	S	*	*			trans	-134.1	137.1	-173.5	170.8	0	0	0	0	109.7
1809	M	36.9	Very low	36.6	Very low	173 Å²	173	127 Å²	127	85%	0.852	67%	0.674	S	S	*	*			trans	174.3	140.7	144.7	-87.2	-139	-65.7	0	0	108.6
1810	G	35.8	Very low	37	Very low	39 Å²	39	129 Å²	129	40%	0.402	68%	0.677	S	S	.	*			cis	164.7	144.8	-7.1	0	0	0	0	0	112.7
1811	N	36.6	Very low	37.1	Very low	165 Å²	165	135.2 Å²	135.2	88%	0.882	70%	0.697	S	S	*	*			trans	52.4	117.3	163.4	-61.4	-27.4	0	0	0	118.6
1812	N	30	Very low	37.2	Very low	101 Å²	101	138.2 Å²	138.2	54%	0.54	71%	0.706	S	S	.	*			trans	-134.1	158	166.9	-139.8	-26.7	0	0	0	113	N345	N345-N1812 PolarHBondContact ND2-ND2 3.44Å
1813	S	32.9	Very low	36.9	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	71%	0.706	S	S	*	*			trans	79.5	99.5	176.3	-162.5	0	0	0	0	118.9
1814	R	37.5	Very low	36.5	Very low	224 Å²	224	141.9 Å²	141.9	85%	0.845	71%	0.713	S	S	*	*			trans	-151.2	124.2	135.2	-114.1	175.8	-176.7	-171.1	2.2	112.4
1815	K	38.7	Very low	36.2	Very low	162 Å²	162	142.6 Å²	142.6	70%	0.704	72%	0.717	S	S	*	*			trans	75	111.6	154.1	-63.8	177.1	179.6	175.6	0	120.6
1816	R	38.7	Very low	35.9	Very low	207 Å²	207	142.5 Å²	142.5	78%	0.781	71%	0.714	S	S	*	*				82.1	123.4	121.3	-69.8	175.5	170.8	-170.2	-4.7	120.9
1817	K	39.4	Very low	36.2	Very low	191 Å²	191	142.7 Å²	142.7	83%	0.83	72%	0.721	S	S	*	*			trans	67.9	149.5	143.3	-64.8	-179.4	176.8	-166.9	0	116.7
1818	S	36.5	Very low	35.9	Very low	91 Å²	91	139.6 Å²	139.6	64%	0.636	71%	0.712	S	S	*	*			cis	-172.8	140.8	-17.1	50.3	0	0	0	0	110.9
1819	I	38.9	Very low	35.7	Very low	155 Å²	155	141 Å²	141	80%	0.795	72%	0.715	S	S	*	*				41.4	137.5	127.4	-64.9	169	0	0	0	118.8
1820	P	43	Very low	35.4	Very low	94 Å²	94	139.6 Å²	139.6	61%	0.61	71%	0.711	S	S	*	*			cis	-149.5	-157	-20.2	42.6	-20.8	0	0	0	114.6
1821	Y	34.8	Very low	35.2	Very low	205 Å²	205	144.7 Å²	144.7	80%	0.804	73%	0.726	S	S	*	*			trans	67.2	155.2	162.2	-73.5	-44.8	0	0	0	117.3
1822	K	37.5	Very low	35.1	Very low	164 Å²	164	142 Å²	142	71%	0.713	71%	0.711	S	S	*	*			cis	-141.6	142.4	-2.1	-114.4	154.3	-173.6	177	0	106.8
1823	S	32.6	Very low	35.2	Very low	92 Å²	92	143.8 Å²	143.8	64%	0.643	72%	0.721	S	S	*	*				46.6	126.3	97.3	108.2	0	0	0	0	113.7
1824	R	30.5	Very low	35.2	Very low	213 Å²	213	143.4 Å²	143.4	80%	0.804	72%	0.718	S	S	*	*			cis	-174.1	163.8	44.2	-111.8	173.9	176.3	-155.5	-0.6	110.5
1825	L	34.5	Very low	35	Very low	131 Å²	131	142.1 Å²	142.1	69%	0.686	71%	0.714	S	S	*	*			trans	49.1	124	144.6	-55.6	167.6	0	0	0	118.9
1826	T	33	Very low	34.8	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	71%	0.709	S	S	*	*				53.9	144.4	62.7	71.8	0	0	0	0	115.5
1827	P	40.9	Very low	34.7	Very low	112 Å²	112	137.4 Å²	137.4	73%	0.727	71%	0.707	S	S	*	*			cis	-138.5	-161.5	-11.3	32.8	-8.6	0	0	0	113.9
1828	S	30	Very low	34.3	Very low	85 Å²	85	132.5 Å²	132.5	59%	0.594	70%	0.697	S	S	*	*			trans	71.1	120.2	138.1	61	0	0	0	0	121.9
1829	D	30.6	Very low	34.2	Very low	141 Å²	141	132.7 Å²	132.7	75%	0.754	70%	0.704	S	S	*	*				84.5	131.9	128.1	-62.1	1.6	0	0	0	122.5
1830	N	31.6	Very low	34.5	Very low	142 Å²	142	130.3 Å²	130.3	76%	0.759	70%	0.699	S	S	*	*			trans	95.5	130.9	133.1	-86.3	-26	0	0	0	122.5
1831	M	32	Very low	33.9	Very low	147 Å²	147	131.2 Å²	131.2	72%	0.724	71%	0.708	S	S	*	*			trans	80.1	103.1	143.9	-63.3	-76.7	-88.3	0	0	120.1
1832	L	32.7	Very low	33.8	Very low	107 Å²	107	127.6 Å²	127.6	56%	0.56	70%	0.702	S	S	*	*				58.1	140.8	124.9	-72.1	174.3	0	0	0	121.5
1833	N	33.9	Very low	33.5	Very low	140 Å²	140	126.1 Å²	126.1	75%	0.749	71%	0.707	S	S	*	*			trans	72.1	147.2	146.6	-71.9	-0.3	0	0	0	117.4
1834	S	31.3	Very low	33.4	Very low	92 Å²	92	127.7 Å²	127.7	64%	0.643	71%	0.713	S	S	*	*			cis	-161.8	154.5	-5.3	38.4	0	0	0	0	111.9
1835	Y	34.7	Very low	33.3	Very low	197 Å²	197	121.4 Å²	121.4	77%	0.773	70%	0.701	S	S	*	*			trans	74.6	133	145.8	-96.2	-121.6	0	0	0	118
1836	D	34.3	Very low	33.2	Very low	111 Å²	111	121.9 Å²	121.9	59%	0.594	70%	0.703	S	S	*	*				39.4	142.8	110.6	-73.6	15.9	0	0	0	118.3
1837	Q	35	Very low	33.1	Very low	159 Å²	159	123.2 Å²	123.2	74%	0.743	71%	0.705	S	S	*	*			cis	-167.6	177.5	20.4	-117.5	164.8	55.5	0	0	105.9
1838	S	32.2	Very low	32.8	Very low	89 Å²	89	123.3 Å²	123.3	62%	0.622	71%	0.706	S	S	*	*			cis	-162.3	136.5	-4.4	47.9	0	0	0	0	109.1
1839	A	33.7	Very low	32.9	Very low	94 Å²	94	128.2 Å²	128.2	78%	0.777	72%	0.716	S	S	*	*			trans	66.4	173.2	131.3	0	0	0	0	0	118.3
1840	P	45.3	Very low	32.9	Very low	106 Å²	106	128.1 Å²	128.1	69%	0.688	72%	0.721	S	S	*	*			trans	-128.5	-173.4	-150.4	43.9	-30.8	0	0	0	114.7
1841	S	31.4	Very low	32.8	Very low	113 Å²	113	125.6 Å²	125.6	79%	0.79	72%	0.719	S	S	*	*			trans	-151.5	102.9	148.3	-80.6	0	0	0	0	111.8
1842	N	32.5	Very low	32.9	Very low	129 Å²	129	127.4 Å²	127.4	69%	0.69	72%	0.723	S	S	*	*				35.6	152.3	118.5	-58.4	-15.4	0	0	0	121.4
1843	T	30.9	Very low	32.8	Very low	133 Å²	133	128.7 Å²	128.7	82%	0.816	73%	0.731	S	S	*	*			trans	70.7	134.2	143.7	39.9	0	0	0	0	118.9
1844	V	30.8	Very low	32.7	Very low	125 Å²	125	131.2 Å²	131.2	76%	0.758	73%	0.73	S	S	*	*			cis	-157.5	178.4	-7.8	83.7	0	0	0	0	111.9
1845	S	27.4	Very low	32.8	Very low	81 Å²	81	131.9 Å²	131.9	57%	0.566	72%	0.723	S	S	*	*			trans	-37.1	156.7	167.8	54.4	0	0	0	0	116
1846	L	33.3	Very low	32.7	Very low	140 Å²	140	125.5 Å²	125.5	73%	0.733	71%	0.707	S	S	*	*				-165.5	139	71.3	-79.6	163.4	0	0	0	114
1847	I	30.2	Very low	32.6	Very low	144 Å²	144	125.9 Å²	125.9	74%	0.738	71%	0.713	S	S	*	*				34.4	137.1	121.4	-60	179.5	0	0	0	118.1
1848	P	35.4	Very low	32.3	Very low	115 Å²	115	122.3 Å²	122.3	75%	0.747	71%	0.706	S	S	*	*			cis	-144.3	166.9	31	25.7	0.8	0	0	0	121.1
1849	K	30.7	Very low	32.1	Very low	188 Å²	188	124.1 Å²	124.1	82%	0.817	71%	0.713	S	S	*	*			trans	8.4	148.7	145.1	-63.2	179.1	178.3	176	0	124.5
1850	T	30.8	Very low	32.1	Very low	139 Å²	139	125.8 Å²	125.8	85%	0.853	71%	0.713	S	S	*	*			trans	72.1	139.4	151.2	46.3	0	0	0	0	119.8
1851	A	31	Very low	31.8	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	71%	0.712	S	S	*	*			cis	-165.2	167.5	-8.5	0	0	0	0	0	113.5
1852	K	32.9	Very low	31.7	Very low	185 Å²	185	126.7 Å²	126.7	80%	0.804	71%	0.714	S	S	*	*			trans	91.6	128.3	159.8	-78.1	-168.1	167.1	-160.9	0	122.4
1853	D	30.7	Very low	31.6	Very low	135 Å²	135	124 Å²	124	72%	0.722	71%	0.709	S	S	*	*			trans	71.5	123.8	142.3	-54.2	-21.1	0	0	0	123.2
1854	R	32.4	Very low	31.6	Very low	193 Å²	193	125.4 Å²	125.4	73%	0.728	70%	0.704	S	S	*	*			trans	82.8	152.7	151.1	-99.8	176.8	170.9	162.1	-5.5	122.9
1855	E	33.6	Very low	31.6	Very low	105 Å²	105	125.2 Å²	125.2	49%	0.491	69%	0.69	S	S	.	*			trans	75.5	155	158.4	-62.6	-92.9	122.7	0	0	119.7	V1340 T1341 P1342	V1340-E1855 PolarHBondContact O-N 3.27Å; T1341-E1855 CarbonylContact C-O 3.25Å; P1342-E1855 WeakPolarHBondContact CD-O 3.26Å
1856	S	31.5	Very low	31.7	Very low	64 Å²	64	127.2 Å²	127.2	45%	0.448	69%	0.693	S	S	.	*			trans	-85.9	152.8	-152.1	55	0	0	0	0	119.7	V1340 T1341	V1340-S1856 VanDerWaalsContact CG1-CB 3.45Å; T1341-S1856 CarbonylContact O-C 3.01Å; T1341-S1856 WeakPolarHBondContact O-CA 3.21Å
1857	V	31.8	Very low	31.5	Very low	118 Å²	118	127.2 Å²	127.2	72%	0.715	68%	0.684	S	S	*	*			trans	-166.3	143.1	136.2	128.3	0	0	0	0	109.6	T1341	T1341-V1857 PolarHBondContact O-N 2.66Å
1858	S	28.8	Very low	31.5	Very low	84 Å²	84	124.3 Å²	124.3	59%	0.587	68%	0.676	S	S	*	*			cis	112.3	134.5	-13.6	91.4	0	0	0	0	119
1859	V	29	Very low	31.2	Very low	128 Å²	128	128.1 Å²	128.1	78%	0.776	68%	0.676	S	S	*	*			trans	73.6	122.4	172.9	-175.2	0	0	0	0	112.9
1860	V	33.4	Very low	31.2	Very low	128 Å²	128	125.2 Å²	125.2	78%	0.776	67%	0.667	S	S	*	*				75.3	148.1	55.7	170.2	0	0	0	0	111.7
1861	P	38.4	Very low	31.7	Very low	104 Å²	104	121.6 Å²	121.6	68%	0.675	65%	0.645	S	S	*	*			cis	-136.9	-162	10.5	25.1	3.7	0	0	0	117.1
1862	V	31.3	Very low	32	Very low	135 Å²	135	121 Å²	121	82%	0.818	63%	0.633	S	S	*	*			trans	66.3	154.2	154.8	-86.8	0	0	0	0	121.3
1863	A	29.3	Very low	31.7	Very low	73 Å²	73	117 Å²	117	60%	0.603	63%	0.628	S	S	*	*			cis	-155.4	154.8	-4.5	0	0	0	0	0	114.5
1864	K	32	Very low	31.8	Very low	161 Å²	161	116.2 Å²	116.2	70%	0.7	63%	0.628	S	S	*	*			trans	35.3	139.5	140.3	-55.7	163.2	-172.4	164.6	0	119.3
1865	R	29.6	Very low	31.7	Very low	122 Å²	122	113.9 Å²	113.9	46%	0.46	63%	0.629	S	S	.	*				-176.2	152.1	53.5	-137.3	148.9	171.4	152.3	-12	113.3	D730	D730-R1865 VanDerWaalsContact CB-NE 3.29Å; D730-R1865 IonicContact OD1-CZ 3.89Å; D730-R1865 IonicContact OD1-NE 2.74Å; D730-R1865 PolarHBondContact OD1-NE 3.43Å; D730-R1865 IonicContact OD1-NH2 2.79Å; D730-R1865 PolarHBondContact OD1-NH2 3.5Å; D730-R1865 IonicContact OD2-NE 3.49Å; D730-R1865 PolarHBondContact OD2-NE 3.14Å
1866	L	30	Very low	31.6	Very low	122 Å²	122	117 Å²	117	64%	0.639	64%	0.643	S	S	*	*			trans	21.8	146.7	142.4	-64	-178.9	0	0	0	121.8
1867	R	29.8	Very low	31.4	Very low	140 Å²	140	118.2 Å²	118.2	53%	0.528	65%	0.651	S	S	.	*			cis	-155.8	142.3	14.2	-88.5	136.7	-165.5	-158.9	13	107.4	P728 T729	P728-R1867 VanDerWaalsContact O-CZ 3.29Å; P728-R1867 PolarHBondContact O-NH1 2.98Å; P728-R1867 PolarHBondContact O-NH2 2.89Å; T729-R1867 PolarHBondContact OG1-NH1 2.76Å; T729-R1867 PolarHBondContact OG1-NH2 3.26Å
1868	S	30.3	Very low	31.5	Very low	84 Å²	84	120.3 Å²	120.3	59%	0.587	66%	0.657	S	S	*	*				84.9	123.2	56.5	90.9	0	0	0	0	118.3
1869	R	29.2	Very low	31.5	Very low	194 Å²	194	121 Å²	121	73%	0.732	66%	0.662	S	S	*	*			trans	80.2	140.8	163.7	-50.8	179.8	179.7	-179.7	1.3	117.4	M1411	M1411-R1869 WeakPolarHBondContact O-CA 2.98Å
1870	M	29.6	Very low	31.5	Very low	128 Å²	128	120 Å²	120	63%	0.631	66%	0.661	S	S	*	*			cis	-146	149	20.9	-82.4	-152.4	128.5	0	0	114.9	M1411 S1412	M1411-M1870 WeakPolarHBondContact O-CA 3.37Å; S1412-M1870 CarbonylContact O-C 3.59Å; S1412-M1870 WeakPolarHBondContact O-CA 2.86Å; S1412-M1870 WeakPolarHBondContact O-CB 3.35Å; S1412-M1870 WeakPolarHBondContact O-CE 3.11Å; S1412-M1870 WeakPolarHBondContact O-CG 3.29Å
1871	T	41.6	Very low	31.3	Very low	63 Å²	63	118.7 Å²	118.7	39%	0.387	66%	0.657	S	S	.	*			trans	-99.7	-178.5	169.2	62.6	0	0	0	0	113.5	S1412 L1413	S1412-T1871 CarbonylContact C-O 3.54Å; S1412-T1871 WeakPolarHBondContact CA-OG1 3.26Å; S1412-T1871 PolarHBondContact N-OG1 3.4Å; S1412-T1871 PolarHBondContact O-N 2.9Å; L1413-T1871 CarbonylContact C-O 3.52Å; L1413-T1871 VanDerWaalsContact N-C 3.32Å; L1413-T1871 PolarHBondContact N-O 3.05Å; L1413-T1871 PolarHBondContact N-OG1 3.15Å; L1413-T1871 VanDerWaalsContact N-OG1 3.11Å
1872	P	36.1	Very low	31	Very low	74 Å²	74	125.2 Å²	125.2	48%	0.481	67%	0.668	S	S	.	*				-154	171	100.8	38.6	-20.8	0	0	0	117.3
1873	S	27.8	Very low	31	Very low	102 Å²	102	125.2 Å²	125.2	71%	0.713	67%	0.669	S	S	*	*			trans	68.8	161.8	156.7	27.3	0	0	0	0	119.6
1874	V	32.6	Very low	31.1	Very low	118 Å²	118	132.3 Å²	132.3	72%	0.715	68%	0.68	S	S	*	*			cis	159.5	124.3	-41.5	149	0	0	0	0	108.8
1875	I	31.3	Very low	31.1	Very low	144 Å²	144	135.5 Å²	135.5	74%	0.738	69%	0.688	S	S	*	*			trans	69.6	145.7	166.9	-72.3	165.4	0	0	0	113
1876	E	29.7	Very low	31.2	Very low	170 Å²	170	134.3 Å²	134.3	79%	0.794	70%	0.704	S	S	*	*			cis	-144.3	-178.3	28.4	-155.1	131.3	-136.4	0	0	115.8
1877	C	28.7	Very low	31.4	Very low	91 Å²	91	135.1 Å²	135.1	62%	0.615	71%	0.714	S	S	*	*			trans	-25.7	155.9	165.9	-61.8	0	0	0	0	117.9
1878	L	32.9	Very low	31.6	Very low	161 Å²	161	137.1 Å²	137.1	84%	0.843	73%	0.726	S	S	*	*				-145.2	137.5	58.2	-69.7	162.2	0	0	0	111.4
1879	S	28.7	Very low	32	Very low	100 Å²	100	139 Å²	139	70%	0.699	73%	0.734	S	S	*	*				55.8	123.4	66.9	-61.7	0	0	0	0	113.1
1880	S	29.5	Very low	32.5	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	73%	0.73	S	S	*	*			cis	-167	132.5	43.2	-166.9	0	0	0	0	115.6
1881	S	28.8	Very low	32.7	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	74%	0.736	S	S	*	*			trans	58.9	120.8	132.3	-51.7	0	0	0	0	124.4
1882	R	32.7	Very low	32.1	Very low	241 Å²	241	136.4 Å²	136.4	91%	0.909	75%	0.748	S	S	*	*				14.3	134.5	123	-63.3	175.1	166.9	167.6	-3.5	117.2
1883	T	31.1	Very low	31.8	Very low	136 Å²	136	139.1 Å²	139.1	83%	0.834	76%	0.757	S	S	*	*				-161.1	154.3	58.6	43.6	0	0	0	0	113.3
1884	R	30.8	Very low	32	Very low	222 Å²	222	140.9 Å²	140.9	84%	0.838	76%	0.757	S	S	*	*			trans	-106.5	128.5	164.2	-90	-173.4	172.1	-169.3	-1.2	111.5
1885	R	31.9	Very low	32	Very low	227 Å²	227	138.1 Å²	138.1	86%	0.857	75%	0.752	S	S	*	*			trans	64	104.4	151.9	-59	176.5	176.8	-172.8	-2.6	120.1
1886	A	32.4	Very low	32	Very low	98 Å²	98	140.3 Å²	140.3	81%	0.81	76%	0.76	S	S	*	*			trans	-165	102.2	143.5	0	0	0	0	0	117.3
1887	V	33.9	Very low	31.9	Very low	138 Å²	138	137.5 Å²	137.5	84%	0.836	76%	0.759	S	S	*	*			trans	65.4	86.1	136.1	-165.3	0	0	0	0	122.4
1888	K	34.6	Very low	31.9	Very low	183 Å²	183	137.8 Å²	137.8	80%	0.796	77%	0.768	S	S	*	*				77.4	104.6	106.8	-162.3	165.1	-174.3	162.3	0	124.1
1889	V	39.4	Very low	31.8	Very low	124 Å²	124	136.5 Å²	136.5	75%	0.752	77%	0.767	S	S	*	*			trans	72.5	148.6	134.4	169.5	0	0	0	0	118.6
1890	P	39.6	Very low	31.9	Very low	100 Å²	100	137 Å²	137	65%	0.649	77%	0.765	S	S	*	*			cis	-130	168.1	11.5	15.2	11.9	0	0	0	120
1891	D	32.1	Very low	32	Very low	140 Å²	140	138.5 Å²	138.5	75%	0.749	77%	0.766	S	S	*	*			trans	75.1	144.9	134.7	-55.2	-12.7	0	0	0	128.6
1892	S	29.2	Very low	32.2	Very low	90 Å²	90	138.3 Å²	138.3	63%	0.629	76%	0.764	S	S	*	*			trans	63.8	102.1	143.7	65.1	0	0	0	0	122.9	K1631	K1631-S1892 PolarHBondContact NZ-O 3.21Å
1893	L	30.4	Very low	32.3	Very low	130 Å²	130	132.9 Å²	132.9	68%	0.681	76%	0.763	S	S	*	*			trans	79.3	143.7	131.6	-58.7	176.7	0	0	0	123.1	K1631	K1631-L1893 PolarHBondContact NZ-O 2.72Å
1894	I	31.8	Very low	32.5	Very low	139 Å²	139	130 Å²	130	71%	0.713	76%	0.76	S	S	*	*			trans	47.5	139.1	136	-56.9	165.5	0	0	0	118.7
1895	G	32.2	Very low	32.7	Very low	60 Å²	60	129.4 Å²	129.4	62%	0.619	76%	0.764	S	S	*	*			cis	174.8	-179.5	-2.2	0	0	0	0	0	113.1
1896	E	32.7	Very low	32.8	Very low	190 Å²	190	123.5 Å²	123.5	89%	0.888	76%	0.757	S	S	*	*			trans	52.6	143.6	166.1	-75.1	127	-130.6	0	0	122.3
1897	S	26.1	Very low	32.8	Very low	112 Å²	112	123.6 Å²	123.6	78%	0.783	75%	0.752	S	S	*	*			trans	-145.3	107.2	167.8	60.7	0	0	0	0	111.1
1898	A	28.9	Very low	32.8	Very low	97 Å²	97	124.4 Å²	124.4	80%	0.802	75%	0.748	S	S	*	*			trans	65.4	150.9	178.8	0	0	0	0	0	115
1899	T	30.6	Very low	32.8	Very low	133 Å²	133	120.7 Å²	120.7	82%	0.816	74%	0.741	S	S	*	*			cis	-121.1	-177.5	6.6	43	0	0	0	0	113.5
1900	T	30.8	Very low	32.4	Very low	110 Å²	110	122.7 Å²	122.7	68%	0.675	74%	0.74	S	S	*	*			trans	-44.8	162.8	174.1	61.1	0	0	0	0	115
1901	D	32.6	Very low	32	Very low	139 Å²	139	124 Å²	124	74%	0.743	75%	0.746	S	S	*	*			cis	-157.2	158.3	42.5	-108.1	-58.2	0	0	0	118.5
1902	S	32.5	Very low	31.9	Very low	96 Å²	96	122.2 Å²	122.2	67%	0.671	74%	0.744	S	S	*	*			trans	51.4	135.3	147.4	82.1	0	0	0	0	125.2
1903	S	34.3	Very low	32	Very low	126 Å²	126	123 Å²	123	88%	0.881	75%	0.75	S	S	*	*			trans	75.5	175.6	145.7	88.2	0	0	0	0	120.5
1904	G	36.6	Very low	32.1	Very low	75 Å²	75	128.5 Å²	128.5	77%	0.773	76%	0.762	S	S	*	*			trans	101.5	121.9	-178.7	0	0	0	0	0	115.7
1905	K	34.8	Very low	32.1	Very low	210 Å²	210	131.2 Å²	131.2	91%	0.913	77%	0.769	S	S	*	*			trans	-126.1	-180	176	-69.4	175.4	-176.3	164.5	0	110.5
1906	S	34.2	Very low	32.3	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	78%	0.778	S	S	*	*			trans	78.1	126.3	-179.2	-152.5	0	0	0	0	112.8
1907	S	32.5	Very low	32.2	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	78%	0.777	S	S	*	*			cis	74.7	145.4	44.7	106.6	0	0	0	0	113
1908	M	33.8	Very low	32.5	Very low	154 Å²	154	134.4 Å²	134.4	76%	0.759	77%	0.771	S	S	*	*			cis	-157	166.9	0.6	-147.5	177	46.7	0	0	110
1909	V	34.3	Very low	32.7	Very low	106 Å²	106	137.9 Å²	137.9	64%	0.642	77%	0.771	S	S	*	*			trans	42.5	141.9	138.4	148	0	0	0	0	120.9
1910	K	31.4	Very low	32.9	Very low	165 Å²	165	136 Å²	136	72%	0.717	76%	0.763	S	S	*	*			cis	170.5	152.8	-10.1	-161.5	-170.1	-133.3	165.9	0	106.9
1911	T	30.8	Very low	33.2	Very low	129 Å²	129	137 Å²	137	79%	0.791	76%	0.764	S	S	*	*			trans	61.3	172.2	158.1	28.9	0	0	0	0	116.6
1912	S	29.9	Very low	33.6	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	76%	0.76	S	S	*	*			cis	-148.8	150.1	-18.6	165.7	0	0	0	0	110.5
1913	S	30.5	Very low	33.7	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	76%	0.759	S	S	*	*			trans	-50.6	130.7	169.7	46.2	0	0	0	0	117.6
1914	R	33.8	Very low	33.8	Very low	244 Å²	244	137 Å²	137	92%	0.921	74%	0.738	S	S	*	*			trans	-135.5	137.1	133	-72.8	-177.7	176.1	177.9	-1.2	105.8
1915	K	30.9	Very low	33.7	Very low	197 Å²	197	136.3 Å²	136.3	86%	0.857	72%	0.715	S	S	*	*			cis	78.1	68.5	32.5	-161	-158.3	174.6	-167.8	0	113.8
1916	V	36.2	Very low	33.9	Very low	135 Å²	135	133 Å²	133	82%	0.818	71%	0.706	S	S	*	*			trans	-109.2	142.3	154.5	178.7	0	0	0	0	108.8
1917	K	30.6	Very low	33.9	Very low	200 Å²	200	135 Å²	135	87%	0.87	70%	0.704	S	S	*	*			trans	-117.8	118.5	166.4	-85.6	-176.3	175.4	-179.3	0	107.8
1918	S	33.1	Very low	34.2	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	70%	0.703	S	S	*	*			trans	-134.5	112.7	149.8	28.7	0	0	0	0	104.3
1919	Q	32.4	Very low	34.1	Very low	171 Å²	171	134 Å²	134	80%	0.799	71%	0.71	S	S	*	*				62.5	104.5	92.8	-77.4	174.2	-42.2	0	0	110.4
1920	S	34.3	Very low	34	Very low	93 Å²	93	137.5 Å²	137.5	65%	0.65	72%	0.717	S	S	*	*				82	144.1	86.1	92.8	0	0	0	0	109.9
1921	N	37.5	Very low	34.1	Very low	131 Å²	131	134.6 Å²	134.6	70%	0.701	71%	0.713	S	S	*	*			cis	-153.8	172.6	9.7	-97.2	-35.4	0	0	0	105.1
1922	K	41.1	Very low	34.4	Very low	151 Å²	151	133.9 Å²	133.9	66%	0.657	70%	0.703	S	S	*	*			cis	-155.9	170.3	-0.9	-126	173	-178.3	-150.3	0	109.6
1923	E	35.2	Very low	34.4	Very low	139 Å²	139	131.8 Å²	131.8	65%	0.65	69%	0.688	S	S	*	*			trans	15.5	145.4	133.8	-63.6	179.8	105.9	0	0	119
1924	V	35.9	Very low	34.5	Very low	72 Å²	72	136 Å²	136	44%	0.436	69%	0.693	S	S	.	*			cis	-169.7	154.2	41.3	80.4	0	0	0	0	116.3	G922	G922-V1924 WeakPolarHBondContact O-CG1 3.5Å; G922-V1924 WeakPolarHBondContact O-CG2 3.35Å
1925	I	35.5	Very low	34.4	Very low	59 Å²	59	126.4 Å²	126.4	30%	0.303	66%	0.662	S	S	.	*			trans	7.4	127.6	146.4	-56.6	169.6	0	0	0	116.5
1926	I	37.6	Very low	34.6	Very low	142 Å²	142	121.7 Å²	121.7	73%	0.728	64%	0.641	S	S	*	*				-123.8	135.1	73.9	-68.3	-178.8	0	0	0	114
1927	Q	35.5	Very low	35.1	Very low	146 Å²	146	125.1 Å²	125.1	68%	0.682	65%	0.645	S	S	*	*			trans	-89	156.9	-174.4	-87.6	-168.1	-1.7	0	0	114.8
1928	P	38.6	Very low	35.7	Very low	102 Å²	102	121.4 Å²	121.4	66%	0.662	63%	0.629	S	S	*	*			trans	-84.6	171.4	179.4	36.6	-38.1	0	0	0	113.3
1929	S	31.9	Very low	36.4	Very low	131 Å²	131	122.9 Å²	122.9	92%	0.916	63%	0.634	S	S	*	*			trans	-135.4	80.5	160.2	-85.2	0	0	0	0	111.8
1930	K	32.4	Very low	37.2	Very low	179 Å²	179	118.9 Å²	118.9	78%	0.778	62%	0.624	S	S	*	*			trans	-61.3	143.4	178	-97.7	177.7	177.6	167.9	0	113
1931	T	33.2	Very low	37.6	Very low	104 Å²	104	118.5 Å²	118.5	64%	0.638	62%	0.622	S	S	*	*			trans	76.4	129.8	138.8	55.6	0	0	0	0	122.3	S1933	T1931-S1933 PolarHBondContact O-N 3.34Å
1932	I	35.5	Very low	38.4	Very low	113 Å²	113	117.8 Å²	117.8	58%	0.579	62%	0.622	S	S	*	*				69.6	40.2	128.4	-55	167.6	0	0	0	115.5	H1255 R1256	H1255-I1932 PolarHBondContact ND1-O 3.13Å; R1256-I1932 WeakPolarHBondContact CD-O 3.03Å
1933	S	30.4	Very low	38.6	Very low	57 Å²	57	116.7 Å²	116.7	40%	0.399	62%	0.624	S	S	.	*				55.2	152.4	114.7	64.9	0	0	0	0	123.2	H1255 R1256 T1931	H1255-S1933 PolarHBondContact CE1-N 2.87Å; H1255-S1933 VanDerWaalsContact CE1-N 3.26Å; H1255-S1933 PolarHBondContact ND1-N 3.21Å; H1255-S1933 PolarHBondContact ND1-O 2.63Å; H1255-S1933 VanDerWaalsContact ND1-O 3.15Å; R1256-S1933 PolarHBondContact NH1-OG 3.42Å; R1256-S1933 PolarHBondContact NH2-O 3.45Å; R1256-S1933 PolarHBondContact NH2-OG 3.4Å; T1931-S1933 PolarHBondContact O-N 3.34Å
1934	K	32.8	Very low	39	Very low	196 Å²	196	118.2 Å²	118.2	85%	0.852	63%	0.628	S	S	*	*			trans	-45.7	126.6	-175.3	-54.7	176.7	-178.3	178.7	0	114.7	R1256	R1256-K1934 PolarHBondContact NH2-O 3.36Å
1935	T	31.6	Very low	39.5	Very low	44 Å²	44	123.2 Å²	123.2	27%	0.27	65%	0.647	S	S	.	*			trans	-97.6	106.3	149.8	22.2	0	0	0	0	110.5	H1255 R1256	H1255-T1935 PolarHBondContact O-OG1 3.17Å; R1256-T1935 HydrophobicContact CG-CG2 4.06Å
1936	K	36	Very low	39.6	Very low	98 Å²	98	126 Å²	126	43%	0.426	67%	0.67	S	S	.	*			trans	61.2	120.4	146.2	-58.5	-173.2	171.4	-165.6	0	118.8	S2158	K1936-S2158 PolarHBondContact NZ-OG 2.89Å
1937	K	46.9	Very low	39.9	Very low	207 Å²	207	125.3 Å²	125.3	90%	0.9	68%	0.675	S	S	*	*				-87.8	167.7	121	-135.2	176.3	-176.7	-176.4	0	108.9
1938	K	42.3	Very low	39.9	Very low	122 Å²	122	125.4 Å²	125.4	53%	0.53	68%	0.68	S	S	.	*			trans	-118.9	-156.3	173.7	-161.4	-151.9	-60.2	166.1	0	106.2	R2157 S2158	K1938-R2157 WeakPolarHBondContact CD-O 3Å; K1938-R2157 VanDerWaalsContact CE-O 3.32Å; K1938-R2157 WeakPolarHBondContact CE-O 3.13Å; K1938-R2157 VanDerWaalsContact CG-O 3.24Å; K1938-R2157 WeakPolarHBondContact CG-O 3.39Å; K1938-S2158 VanDerWaalsContact CE-O 3.27Å; K1938-S2158 WeakPolarHBondContact CE-O 3.11Å
1939	V	47.5	Very low	39.7	Very low	124 Å²	124	125.7 Å²	125.7	75%	0.752	69%	0.685	S	S	*	*			trans	76	135	171.9	-169	0	0	0	0	110.4
1940	S	48.7	Very low	40.3	Very low	86 Å²	86	124.5 Å²	124.5	60%	0.601	67%	0.668	S	S	*	*			cis	-145.9	-178.8	-9.6	43.2	0	0	0	0	111.4
1941	S	43.3	Very low	40.9	Very low	85 Å²	85	118.6 Å²	118.6	59%	0.594	64%	0.644	S	S	*	*				65	160.1	108.1	70.6	0	0	0	0	116.7
1942	T	55.2	Low	41.4	Very low	116 Å²	116	117.3 Å²	117.3	71%	0.712	63%	0.633	S	S	*	*			trans	62.1	149.3	150.5	44.2	0	0	0	0	119.3
1943	D	45.1	Very low	41.7	Very low	128 Å²	128	113.9 Å²	113.9	68%	0.684	62%	0.615	S	S	*	*			cis	-165.3	164.3	-44.1	-113.8	-47.9	0	0	0	109
1944	F	42.7	Very low	42.2	Very low	171 Å²	171	112.9 Å²	112.9	75%	0.75	61%	0.608	S	S	*	*			trans	56.9	147.9	157.6	-83	-118.3	0	0	0	123.5
1945	Q	47.6	Very low	42.6	Very low	177 Å²	177	107.8 Å²	107.8	83%	0.827	59%	0.593	S	S	*	*			trans	68.3	136.9	151.5	-74.8	156.2	-28.5	0	0	123
1946	C	37.7	Very low	42.9	Very low	118 Å²	118	110.1 Å²	110.1	80%	0.797	60%	0.604	S	S	*	*			trans	-138	168.7	166.6	-72.9	0	0	0	0	108.1
1947	P	42.7	Very low	43	Very low	127 Å²	127	108.1 Å²	108.1	83%	0.825	61%	0.606	S	S	*	*			trans	-126.3	150.5	137.5	36.5	-28.7	0	0	0	112.8
1948	D	35.1	Very low	42.5	Very low	148 Å²	148	101.1 Å²	101.1	79%	0.791	58%	0.58	S	S	*	*			trans	-78	167.8	167.5	-58.3	-72.4	0	0	0	110.4
1949	S	36.3	Very low	42.4	Very low	108 Å²	108	100.2 Å²	100.2	76%	0.755	58%	0.576	S	S	*	*				160.8	157	93.4	51.1	0	0	0	0	107.6
1950	L	43	Very low	42	Very low	107 Å²	107	98.6 Å²	98.6	56%	0.56	57%	0.57	S	S	*	*			cis	-166.3	-178.5	-2.7	-120.1	178	0	0	0	109.7	V1014	V1014-L1950 HydrophobicContact CB-CD2 3.71Å; V1014-L1950 HydrophobicContact CG1-CD2 3.54Å; V1014-L1950 HydrophobicContact CG2-CD2 3.81Å
1951	L	45.9	Very low	41.7	Very low	55 Å²	55	99.9 Å²	99.9	29%	0.288	58%	0.575	S	S	.	*			trans	63.1	129.1	141.8	-70.1	172.4	0	0	0	119.2	V1014 K1016 H1953	V1014-L1951 HydrophobicContact CG1-CD2 4.22Å; V1014-L1951 HydrophobicContact CG2-CD2 4.17Å; K1016-L1951 VanDerWaalsContact CE-O 3.31Å; K1016-L1951 WeakPolarHBondContact CE-O 3.38Å; K1016-L1951 PolarHBondContact NZ-O 3.28Å; L1951-H1953 WeakPolarHBondContact CD2-CE1 3.22Å
1952	D	42.7	Very low	42.1	Very low	76 Å²	76	102.2 Å²	102.2	41%	0.406	58%	0.581	S	S	.	*			cis	-146.4	140.5	26.8	-84.9	-29.5	0	0	0	120.6	R1015	R1015-D1952 WeakPolarHBondContact CD-O 3.5Å; R1015-D1952 PolarHBondContact NH1-O 3.32Å
1953	H	43	Very low	41.9	Very low	41 Å²	41	103.3 Å²	103.3	19%	0.19	58%	0.582	C	S	.	*				49.2	133	124.8	-49.2	-22.1	0	0	0	123.9	R1015 P1275 E1276 M1277 L1951	R1015-H1953 PolarHBondContact NH1-O 2.57Å; R1015-H1953 PolarHBondContact NH2-O 3.27Å; R1015-H1953 VanDerWaalsContact NH2-O 3.1Å; P1275-H1953 PolarHBondContact O-N 3.17Å; P1275-H1953 PolarHBondContact O-ND1 3.08Å; E1276-H1953 PolarHBondContact N-CE1 2.73Å; E1276-H1953 PolarHBondContact N-ND1 2.94Å; E1276-H1953 PolarHBondContact O-CD2 3.46Å; E1276-H1953 PolarHBondContact O-CE1 3.12Å; E1276-H1953 PolarHBondContact O-ND1 2.86Å; E1276-H1953 PolarHBondContact O-NE2 3.2Å; M1277-H1953 VanDerWaalsContact C-CB 3.47Å; M1277-H1953 WeakPolarHBondContact O-CB 3.4Å; M1277-H1953 PolarHBondContact O-CD2 2.95Å; M1277-H1953 VanDerWaalsContact O-CG 3.25Å; L1951-H1953 WeakPolarHBondContact CD2-CE1 3.22Å
1954	S	40.7	Very low	41.9	Very low	36 Å²	36	102.2 Å²	102.2	25%	0.252	58%	0.583	S	S	.	*			cis	-120.9	-166.2	-1.4	59.4	0	0	0	0	110.3	R1015 E1276	R1015-S1954 VanDerWaalsContact CZ-N 3.33Å; R1015-S1954 VanDerWaalsContact CZ-O 3.24Å; R1015-S1954 PolarHBondContact NE-O 2.75Å; R1015-S1954 VanDerWaalsContact NH2-N 3.14Å; R1015-S1954 PolarHBondContact NH2-O 2.89Å; E1276-S1954 VanDerWaalsContact OE2-CB 3.31Å; E1276-S1954 WeakPolarHBondContact OE2-CB 3.21Å
1955	V	40.1	Very low	41.9	Very low	90 Å²	90	98.6 Å²	98.6	55%	0.545	59%	0.585	S	S	.	*			cis	-144	155.8	14.4	-129.1	0	0	0	0	111.5	T1274 E1276	T1274-V1955 WeakPolarHBondContact CB-O 3.28Å; T1274-V1955 PolarHBondContact OG1-O 3.22Å; E1276-V1955 VanDerWaalsContact OE1-CA 3.23Å; E1276-V1955 WeakPolarHBondContact OE1-CA 3.27Å; E1276-V1955 WeakPolarHBondContact OE1-CG1 3.15Å
1956	N	39.1	Very low	41.5	Very low	92 Å²	92	94.6 Å²	94.6	49%	0.492	58%	0.577	S	S	.	*			trans	-56.9	172.1	172.6	-89.5	-37.7	0	0	0	114.6	P1275 E1276	P1275-N1956 WeakPolarHBondContact CG-OD1 3.18Å; E1276-N1956 WeakPolarHBondContact CG-ND2 3.23Å; E1276-N1956 PolarHBondContact OE1-N 3.29Å; E1276-N1956 PolarHBondContact OE1-ND2 2.67Å
1957	A	36.5	Very low	41.6	Very low	57 Å²	57	97.3 Å²	97.3	47%	0.471	58%	0.575	S	S	.	*			cis	176.7	-174.1	-32.7	0	0	0	0	0	107.6
1958	V	36.9	Very low	41.4	Very low	60 Å²	60	101.9 Å²	101.9	36%	0.364	58%	0.576	S	S	.	*			cis	-161.7	144.5	20.2	-148.3	0	0	0	0	113.5	R990	R990-V1958 HydrophobicContact CB-CG1 4.43Å; R990-V1958 HydrophobicContact CG-CB 4.46Å; R990-V1958 HydrophobicContact CG-CG1 3.99Å; R990-V1958 HydrophobicContact CG-CG2 4.11Å
1959	K	41.7	Very low	41.3	Very low	103 Å²	103	99.3 Å²	99.3	45%	0.448	57%	0.569	S	S	.	*			trans	71.1	155.9	153.9	-94.7	179.2	-174	-167.9	0	119.7	M1009 S1010 L1011	M1009-K1959 PolarHBondContact O-NZ 2.62Å; S1010-K1959 VanDerWaalsContact C-NZ 3.25Å; S1010-K1959 WeakPolarHBondContact O-CE 3.32Å; S1010-K1959 PolarHBondContact O-NZ 3.12Å; L1011-K1959 WeakPolarHBondContact O-CE 3.36Å; L1011-K1959 WeakPolarHBondContact O-CG 2.93Å
1960	S	38.9	Very low	41.2	Very low	89 Å²	89	101.3 Å²	101.3	62%	0.622	57%	0.57	S	S	*	*			cis	-156.5	131.4	17.4	-177.2	0	0	0	0	116.7
1961	T	42.1	Very low	41	Very low	114 Å²	114	101.6 Å²	101.6	70%	0.699	57%	0.567	S	S	*	*			trans	57.2	145.4	142.2	69.1	0	0	0	0	127.4
1962	N	52.1	Low	40.4	Very low	133 Å²	133	103.3 Å²	103.3	71%	0.711	57%	0.569	S	S	*	*			trans	89	96.2	135.7	-77.6	-10	0	0	0	125
1963	N	49.8	Very low	40	Very low	140 Å²	140	105.1 Å²	105.1	75%	0.749	58%	0.578	S	S	*	*				87.9	135.3	114	-93.2	-22	0	0	0	125
1964	C	44.5	Very low	39.5	Very low	105 Å²	105	106.3 Å²	106.3	71%	0.709	60%	0.595	S	S	*	*			trans	62.2	103.4	140.7	-69	0	0	0	0	123.3
1965	A	42.5	Very low	39.1	Very low	94 Å²	94	109.8 Å²	109.8	78%	0.777	61%	0.611	S	S	*	*				85.4	137.5	104.7	0	0	0	0	0	123
1966	S	40.2	Very low	38.8	Very low	94 Å²	94	110.3 Å²	110.3	66%	0.657	61%	0.614	S	S	*	*			trans	88.3	91.8	135	-144.9	0	0	0	0	121.5
1967	K	39.6	Very low	38.4	Very low	175 Å²	175	117.4 Å²	117.4	76%	0.761	63%	0.634	S	S	*	*				66	139.5	119.8	-67.5	170.3	-172	163.1	0	121.3
1968	R	38.8	Very low	38.1	Very low	222 Å²	222	125 Å²	125	84%	0.838	65%	0.651	S	S	*	*			trans	67.8	98.4	149.1	-69.2	168.9	-179.3	178.6	-0.3	117
1969	S	33.1	Very low	37.9	Very low	94 Å²	94	128.5 Å²	128.5	66%	0.657	67%	0.672	S	S	*	*			cis	81.8	140.7	44.5	87.7	0	0	0	0	116.4
1970	I	33.1	Very low	37.8	Very low	150 Å²	150	128.8 Å²	128.8	77%	0.769	69%	0.687	S	S	*	*			trans	69.7	107.8	160.4	-52.5	158.9	0	0	0	116
1971	K	38.8	Very low	37.6	Very low	114 Å²	114	130.7 Å²	130.7	50%	0.496	70%	0.697	S	S	.	*				-158.2	128	121.6	-106.2	160.7	-178.4	178.9	0	108.5	E1244	E1244-K1971 WeakPolarHBondContact OE1-CE 3.5Å; E1244-K1971 IonicContact OE1-NZ 3.63Å; E1244-K1971 PolarHBondContact OE1-NZ 2.82Å
1972	R	35.1	Very low	37.6	Very low	90 Å²	90	127.8 Å²	127.8	34%	0.34	68%	0.681	S	S	.	*				65.2	140.3	104.4	-75	-170.7	-175.6	151.1	4.7	113.8	S1243 E1244	S1243-R1972 PolarHBondContact O-NH2 2.86Å; E1244-R1972 IonicContact OE1-CZ 2.97Å; E1244-R1972 IonicContact OE1-NH1 3.58Å; E1244-R1972 PolarHBondContact OE1-NH1 2.91Å; E1244-R1972 IonicContact OE1-NH2 2.68Å; E1244-R1972 PolarHBondContact OE1-NH2 3.26Å; E1244-R1972 IonicContact OE2-CZ 2.72Å; E1244-R1972 VanDerWaalsContact OE2-CZ 3.29Å; E1244-R1972 IonicContact OE2-NH1 3.73Å; E1244-R1972 PolarHBondContact OE2-NH1 3.07Å; E1244-R1972 IonicContact OE2-NH2 3.37Å; E1244-R1972 PolarHBondContact OE2-NH2 3.19Å
1973	L	33.5	Very low	37.3	Very low	114 Å²	114	127.5 Å²	127.5	60%	0.597	68%	0.678	S	S	*	*			cis	-165.4	-162	-15	-158	92.5	0	0	0	106.5	S1240	S1240-L1973 WeakPolarHBondContact O-CD2 3.37Å
1974	A	32.9	Very low	37.1	Very low	66 Å²	66	123.5 Å²	123.5	55%	0.545	66%	0.66	S	S	.	*			trans	77.8	132.3	141.2	0	0	0	0	0	120.5
1975	D	31.7	Very low	37	Very low	109 Å²	109	124 Å²	124	58%	0.583	66%	0.655	S	S	*	*			trans	71.9	128.2	133.7	-59.8	-14.3	0	0	0	121.7
1976	V	33.8	Very low	37	Very low	101 Å²	101	123.2 Å²	123.2	61%	0.612	65%	0.649	S	S	*	*			cis	105.6	115.5	29.4	166.6	0	0	0	0	111.6
1977	R	31.9	Very low	37.2	Very low	242 Å²	242	128.4 Å²	128.4	91%	0.913	66%	0.659	S	S	*	*			trans	66.1	179.2	165.1	-68.7	161	-168.3	156	3.9	115.9
1978	R	30.1	Very low	37.3	Very low	217 Å²	217	130.4 Å²	130.4	82%	0.819	66%	0.662	S	S	*	*			trans	-113.8	162.3	-164.4	-66.2	167.6	164.7	164.9	-10.9	109.8
1979	V	31.5	Very low	37.4	Very low	133 Å²	133	125 Å²	125	81%	0.806	65%	0.649	S	S	*	*	S	Bend	trans	89.6	97.1	163.5	-166.5	0	0	0	0	117.3
1980	S	39.2	Very low	37.6	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	66%	0.656	S	S	*	*			trans	68.1	88.9	142.5	-49.4	0	0	0	0	123.1
1981	P	35.5	Very low	37.8	Very low	129 Å²	129	126.6 Å²	126.6	84%	0.838	64%	0.636	S	S	*	*			trans	-105.8	179	174	40.4	-34.7	0	0	0	116.2
1982	S	42.4	Very low	37.7	Very low	52 Å²	52	129.3 Å²	129.3	36%	0.364	64%	0.643	S	S	.	*			trans	-153.4	135.1	-171.3	84.7	0	0	0	0	122	S1233 V1234	S1233-S1982 PolarHBondContact N-O 3.33Å; V1234-S1982 VanDerWaalsContact C-OG 3.31Å; V1234-S1982 PolarHBondContact N-OG 2.73Å; V1234-S1982 PolarHBondContact O-OG 2.96Å
1983	I	45.5	Very low	38.1	Very low	128 Å²	128	129.5 Å²	129.5	66%	0.656	65%	0.65	S	S	*	*			trans	68.7	-166.2	151.8	-10.1	-172	0	0	0	120.9	K1232	K1232-I1983 WeakPolarHBondContact O-CD1 3.45Å; K1232-I1983 VanDerWaalsContact O-CG1 3.22Å; K1232-I1983 WeakPolarHBondContact O-CG1 3.42Å
1984	P	44.5	Very low	38.3	Very low	55 Å²	55	128.8 Å²	128.8	36%	0.357	65%	0.647	S	S	.	*				-139.7	-171.2	-126.2	49.5	-30.1	0	0	0	121.8	P1231	P1231-P1984 HydrophobicContact CB-CG 4.12Å
1985	L	43.8	Very low	38.7	Very low	117 Å²	117	131 Å²	131	61%	0.613	65%	0.646	S	S	*	*			trans	94.5	134	144.2	-83.5	172.2	0	0	0	126.7	T1230	T1230-L1985 HydrophobicContact CG2-CD1 4.46Å
1986	A	42.3	Very low	39.1	Very low	77 Å²	77	129.8 Å²	129.8	64%	0.636	65%	0.646	S	S	*	*				95.7	126.7	126.3	0	0	0	0	0	128.1
1987	K	44.8	Very low	39.3	Very low	203 Å²	203	131.2 Å²	131.2	88%	0.883	65%	0.65	S	S	*	*			trans	66.1	150.8	145.8	-63	-178.4	175.8	-174.2	0	120.4
1988	R	40.1	Very low	39.7	Very low	216 Å²	216	126 Å²	126	82%	0.815	64%	0.639	S	S	*	*			cis	-156	151	34	-102.3	-173.8	162.9	140.8	-6.9	113.7
1989	L	41	Very low	40	Very low	110 Å²	110	124.1 Å²	124.1	58%	0.576	64%	0.637	S	S	*	*			trans	53.4	141.9	140.1	-56.6	177.9	0	0	0	121	E1043	E1043-L1989 WeakPolarHBondContact OE1-CD2 3.17Å
1990	R	38.2	Very low	40.1	Very low	210 Å²	210	121 Å²	121	79%	0.792	62%	0.62	S	S	*	*			cis	-137.7	140.3	-9.1	-52.4	-174.9	-170.7	-177.8	3	107.2	E1043	E1043-R1990 WeakPolarHBondContact OE1-CA 3.45Å
1991	N	37.9	Very low	39.9	Very low	66 Å²	66	120.1 Å²	120.1	35%	0.353	61%	0.61	S	S	.	*				60.5	120	77	-135.4	3.1	0	0	0	113	E1043	E1043-N1991 WeakPolarHBondContact CB-ND2 3.16Å; E1043-N1991 WeakPolarHBondContact OE2-CB 3.33Å; E1043-N1991 PolarHBondContact OE2-ND2 3.15Å
1992	R	36.9	Very low	39.8	Very low	172 Å²	172	117 Å²	117	65%	0.649	59%	0.588	S	S	*	*				-166.3	152.9	57.6	-90.1	176.7	153	179	-6.7	114.3	G1190	G1190-R1992 PolarHBondContact O-NH2 2.97Å; G1190-R1992 VanDerWaalsContact O-NH2 3.12Å
1993	I	41.7	Very low	39.4	Very low	94 Å²	94	117.8 Å²	117.8	48%	0.482	59%	0.594	S	S	.	*				65.2	137.5	129.9	-66.6	174.8	0	0	0	118.6
1994	D	38.3	Very low	38.8	Very low	99 Å²	99	120 Å²	120	53%	0.529	60%	0.602	S	S	.	*			cis	-151.8	150.6	2.7	-110.4	-8.1	0	0	0	110.1
1995	Q	42.4	Very low	38.4	Very low	113 Å²	113	124.8 Å²	124.8	53%	0.528	62%	0.619	S	S	.	*				62.4	149.8	92.7	-69.1	-172.2	92.6	0	0	116.9
1996	S	39.5	Very low	37.8	Very low	83 Å²	83	124.6 Å²	124.6	58%	0.58	62%	0.622	S	S	*	*			cis	178.2	160.4	-13	51.9	0	0	0	0	110.7
1997	D	38.8	Very low	37.5	Very low	131 Å²	131	131.4 Å²	131.4	70%	0.701	63%	0.632	S	S	*	*			cis	-178.8	137.6	-36.7	-123.9	-51.8	0	0	0	111.6
1998	I	39.4	Very low	37.2	Very low	132 Å²	132	126.9 Å²	126.9	68%	0.677	62%	0.617	S	S	*	*			trans	74.8	148	161.1	-41.7	145	0	0	0	115.1
1999	K	36.4	Very low	37.1	Very low	178 Å²	178	123.7 Å²	123.7	77%	0.774	61%	0.612	S	S	*	*			cis	-151.1	166.9	47.5	-77.7	75.4	170.4	-171.1	0	110.2
2000	C	33.1	Very low	36.8	Very low	66 Å²	66	126.4 Å²	126.4	45%	0.446	62%	0.621	S	S	.	*			cis	84	121.6	25.1	-63.8	0	0	0	0	119.1
2001	V	35.4	Very low	36.6	Very low	92 Å²	92	120.6 Å²	120.6	56%	0.558	61%	0.609	S	S	*	*			trans	174.2	138.8	148.1	150.9	0	0	0	0	111.6	S2138 V2139 T2140	V2001-S2138 WeakPolarHBondContact CG2-OG 3.21Å; V2001-V2139 CarbonylContact C-O 2.91Å; V2001-V2139 VanDerWaalsContact N-C 3.35Å; V2001-T2140 PolarHBondContact N-OG1 2.66Å; V2001-T2140 WeakPolarHBondContact O-CB 3.23Å; V2001-T2140 WeakPolarHBondContact O-CG2 3.24Å; V2001-T2140 PolarHBondContact O-OG1 2.71Å
2002	T	33.6	Very low	36.5	Very low	62 Å²	62	120.7 Å²	120.7	38%	0.38	62%	0.615	S	S	.	*			trans	-114.6	170.6	-173.7	34.4	0	0	0	0	113.1	S2138 V2139 T2140	T2002-S2138 VanDerWaalsContact OG1-CA 3.27Å; T2002-S2138 WeakPolarHBondContact OG1-CA 3.39Å; T2002-S2138 WeakPolarHBondContact OG1-CB 3.26Å; T2002-V2139 WeakPolarHBondContact CA-O 3.29Å; T2002-V2139 WeakPolarHBondContact CB-O 3.45Å; T2002-V2139 HydrophobicContact CG2-CB 4.13Å; T2002-V2139 WeakPolarHBondContact CG2-O 3.36Å; T2002-V2139 PolarHBondContact N-O 3.09Å; T2002-V2139 PolarHBondContact OG1-N 3.5Å; T2002-V2139 PolarHBondContact OG1-O 3.2Å; T2002-T2140 HydrophobicContact CG2-CG2 4.26Å
2003	S	34.2	Very low	36.5	Very low	70 Å²	70	118 Å²	118	49%	0.49	61%	0.613	S	S	.	*				84.7	117.7	128.3	48.2	0	0	0	0	119.2
2004	E	33.5	Very low	36.4	Very low	174 Å²	174	116.3 Å²	116.3	81%	0.813	61%	0.608	S	S	*	*				86.9	161.9	129.9	-74.6	165.4	-137.1	0	0	120.3
2005	H	34.8	Very low	36.4	Very low	156 Å²	156	116.7 Å²	116.7	72%	0.722	61%	0.614	S	S	*	*			trans	69	78.6	168	-93.8	68.6	0	0	0	118.4
2006	T	32.4	Very low	36.1	Very low	112 Å²	112	119 Å²	119	69%	0.687	62%	0.622	S	S	*	*				6.2	132.3	117.1	54.5	0	0	0	0	117.3
2007	R	34.3	Very low	36	Very low	220 Å²	220	121.3 Å²	121.3	83%	0.83	63%	0.628	S	S	*	*				-169.3	147.7	115.7	-108.4	-165.3	168.5	131.1	-0.2	112.4
2008	N	39	Very low	35.9	Very low	108 Å²	108	121.7 Å²	121.7	58%	0.578	63%	0.626	S	S	*	*			trans	61.3	157	149.6	-61.1	33.6	0	0	0	117.9
2009	E	37.7	Very low	36	Very low	150 Å²	150	118 Å²	118	70%	0.701	61%	0.61	S	S	*	*			cis	-155.2	146	-31	-115.1	148.8	-168.5	0	0	108.5
2010	E	35	Very low	36	Very low	167 Å²	167	112 Å²	112	78%	0.78	59%	0.591	S	S	*	*			trans	43	139.3	143.8	-67.1	-161.4	168.1	0	0	125.3
2011	T	35.2	Very low	36.4	Very low	87 Å²	87	114.7 Å²	114.7	53%	0.534	60%	0.597	S	S	.	*			trans	91.6	108.1	132.3	-73.3	0	0	0	0	121.2	K1787	K1787-T2011 WeakPolarHBondContact CE-O 3.36Å; K1787-T2011 PolarHBondContact NZ-O 3.18Å
2012	S	34	Very low	36.8	Very low	68 Å²	68	117.7 Å²	117.7	48%	0.476	60%	0.603	S	S	.	*			trans	64.1	96	133.3	79	0	0	0	0	124.7	K1787	K1787-S2012 WeakPolarHBondContact CE-O 3.26Å; K1787-S2012 WeakPolarHBondContact CG-O 3.2Å
2013	L	37.4	Very low	37.2	Very low	115 Å²	115	122.9 Å²	122.9	60%	0.602	62%	0.62	S	S	*	*				54.7	168.9	121.2	-60.3	176.7	0	0	0	121.1	K1787 S1788	K1787-L2013 WeakPolarHBondContact CA-O 3.32Å; K1787-L2013 WeakPolarHBondContact CG-O 3.24Å; S1788-L2013 PolarHBondContact N-O 3.03Å
2014	P	40.4	Very low	37.6	Very low	60 Å²	60	129.3 Å²	129.3	39%	0.39	63%	0.633	S	S	.	*				-143	177	-54.8	42	-26.1	0	0	0	115.7	S1788	S1788-P2014 CarbonylContact C-O 3.55Å; S1788-P2014 VanDerWaalsContact C-O 3.26Å; S1788-P2014 CarbonylContact O-C 3.41Å
2015	V	36.9	Very low	37.9	Very low	107 Å²	107	128 Å²	128	65%	0.648	63%	0.632	S	S	*	*				102.8	142.6	125.5	100.9	0	0	0	0	123.6	S1788	S1788-V2015 PolarHBondContact O-N 2.61Å
2016	K	37.4	Very low	38.1	Very low	160 Å²	160	123.8 Å²	123.8	70%	0.696	63%	0.63	S	S	*	*			trans	96.8	106.8	146.4	-77.3	-175.2	161.4	-80.4	0	123.7
2017	D	36.8	Very low	38.3	Very low	132 Å²	132	124.7 Å²	124.7	71%	0.706	64%	0.636	S	S	*	*				95.4	162.7	115.5	-61.2	-3.7	0	0	0	124
2018	Q	36.6	Very low	38.5	Very low	139 Å²	139	123.1 Å²	123.1	65%	0.65	64%	0.635	S	S	*	*			trans	-119.1	-140.2	-154.5	-138.1	-162.8	63.5	0	0	110.4	V232	V232-Q2018 HydrophobicContact CG1-CG 3.87Å
2019	P	41.6	Very low	38.4	Very low	55 Å²	55	123.1 Å²	123.1	36%	0.357	64%	0.639	S	S	.	*			cis	-133.1	-168.7	-2.4	33.9	-8.9	0	0	0	115.3	S233 K234	S233-P2019 CarbonylContact C-O 3.49Å; S233-P2019 VanDerWaalsContact C-O 3.25Å; S233-P2019 WeakPolarHBondContact CA-O 3.19Å; S233-P2019 PolarHBondContact N-O 2.63Å; S233-P2019 VanDerWaalsContact N-O 3.16Å; K234-P2019 VanDerWaalsContact CA-O 3.23Å; K234-P2019 WeakPolarHBondContact CA-O 3.44Å; K234-P2019 PolarHBondContact N-O 3.47Å
2020	S	37	Very low	38.7	Very low	53 Å²	53	122 Å²	122	37%	0.371	64%	0.638	S	S	.	*			trans	50.6	140.3	139.3	66.8	0	0	0	0	121.9	S233 K234	S233-S2020 CarbonylContact C-O 3.01Å; S233-S2020 WeakPolarHBondContact CA-O 3.17Å; S233-S2020 PolarHBondContact N-O 2.8Å; K234-S2020 PolarHBondContact N-O 3.16Å
2021	E	41.1	Very low	38.7	Very low	122 Å²	122	120.4 Å²	120.4	57%	0.57	64%	0.635	S	S	*	*			cis	179.4	179.2	11.9	-124.4	-165.9	145.1	0	0	115.2
2022	K	43.1	Very low	38.9	Very low	155 Å²	155	122.9 Å²	122.9	67%	0.674	64%	0.644	S	S	*	*			trans	84.6	98.1	145.2	-79	158.2	178.5	130.8	0	124.7
2023	K	42.7	Very low	39.2	Very low	170 Å²	170	129.6 Å²	129.6	74%	0.739	66%	0.659	S	S	*	*				65.9	120.3	113.2	-74	-179.4	178.9	170	0	125.2
2024	R	43	Very low	39.4	Very low	206 Å²	206	129.5 Å²	129.5	78%	0.777	66%	0.659	S	S	*	*				101.8	134.1	116.4	-89.8	-170.4	168.9	-178.1	-4.1	124.8
2025	N	40.1	Very low	39.3	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	68%	0.678	S	S	*	*			trans	80.9	149.5	145.8	-61.9	-0.1	0	0	0	120.5
2026	G	38.4	Very low	39.5	Very low	66 Å²	66	138 Å²	138	68%	0.68	68%	0.675	S	S	*	*			trans	-161.2	-86.6	-170.7	0	0	0	0	0	117.2
2027	T	36.3	Very low	39.5	Very low	131 Å²	131	137.1 Å²	137.1	80%	0.804	67%	0.674	S	S	*	*			trans	76.3	151	175.7	1.8	0	0	0	0	120.4
2028	K	39.8	Very low	39.5	Very low	187 Å²	187	135.8 Å²	135.8	81%	0.813	67%	0.67	S	S	*	*			trans	71.3	155.5	154	-70.1	174	-178.5	177.8	0	118.5
2029	T	37	Very low	39.4	Very low	108 Å²	108	135.5 Å²	135.5	66%	0.663	67%	0.672	S	S	*	*			cis	-165.8	168.4	-21.2	23	0	0	0	0	111.9
2030	N	42.6	Very low	39.1	Very low	128 Å²	128	138.4 Å²	138.4	68%	0.684	69%	0.689	S	S	*	*			trans	83.5	126.3	147.2	-71.7	-17.4	0	0	0	122.4
2031	N	36.3	Very low	38.9	Very low	133 Å²	133	140.5 Å²	140.5	71%	0.711	70%	0.703	S	S	*	*				35.9	142	118.3	-50.7	-40.8	0	0	0	119.2
2032	L	39.3	Very low	38.9	Very low	139 Å²	139	140 Å²	140	73%	0.728	71%	0.711	S	S	*	*			cis	-141.8	149.2	47.7	-108.5	89.4	0	0	0	111.7
2033	R	39.3	Very low	38.4	Very low	209 Å²	209	138.2 Å²	138.2	79%	0.789	72%	0.717	S	S	*	*				49.8	139.8	95.6	-84.7	179.2	172.7	-175.1	1.2	113.8
2034	N	42.7	Very low	38.2	Very low	112 Å²	112	139.6 Å²	139.6	60%	0.599	72%	0.723	S	S	*	*			cis	-167	163.1	22.9	-137.5	-15.1	0	0	0	115.7
2035	R	37.3	Very low	38	Very low	208 Å²	208	135.1 Å²	135.1	79%	0.785	72%	0.721	S	S	*	*			trans	68.8	128.4	132.9	-149.1	164.3	-167.6	147.6	2	120.4
2036	K	40.8	Very low	37.8	Very low	138 Å²	138	135.6 Å²	135.6	60%	0.6	72%	0.723	S	S	*	*			cis	-176.7	146.6	-22	-116.1	177.5	151.2	-149.9	0	108.4
2037	Q	38.1	Very low	38	Very low	142 Å²	142	137.4 Å²	137.4	66%	0.664	72%	0.723	S	S	*	*			trans	63.9	171.8	140	-67.8	175.6	-41.1	0	0	117.6
2038	V	35.9	Very low	37.7	Very low	104 Å²	104	137 Å²	137	63%	0.63	72%	0.72	S	S	*	*			cis	-146.6	139.7	3.8	93.7	0	0	0	0	110.5
2039	I	34.9	Very low	37.3	Very low	133 Å²	133	132.1 Å²	132.1	68%	0.682	71%	0.714	S	S	*	*				42.1	139.7	118.9	-65.9	-177.2	0	0	0	119
2040	T	34.8	Very low	37	Very low	116 Å²	116	132.7 Å²	132.7	71%	0.712	72%	0.723	S	S	*	*			cis	-161.5	173.4	-11.1	30.7	0	0	0	0	110.6
2041	S	33.8	Very low	36.5	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	72%	0.724	S	S	*	*			trans	-44.8	171.4	146.2	55.2	0	0	0	0	114.5
2042	P	40.7	Very low	36.3	Very low	113 Å²	113	130.1 Å²	130.1	73%	0.734	73%	0.725	S	S	*	*			cis	-150.7	-164.5	27.3	44.4	-22.5	0	0	0	118.3
2043	S	33.5	Very low	36	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	73%	0.729	S	S	*	*			trans	98.9	175.2	150.8	83.3	0	0	0	0	120.2
2044	K	38	Very low	35.5	Very low	199 Å²	199	126.7 Å²	126.7	87%	0.865	72%	0.722	S	S	*	*			trans	-123.7	-174	-162.4	-50.5	174	-176.7	166.7	0	108.4
2045	P	38.8	Very low	35	Very low	113 Å²	113	127.8 Å²	127.8	73%	0.734	73%	0.732	S	S	*	*			cis	-140.6	-160.7	3	43.1	-21.3	0	0	0	116.1
2046	L	35.7	Very low	34.7	Very low	157 Å²	157	121.6 Å²	121.6	82%	0.822	72%	0.721	S	S	*	*			trans	-18.9	170.2	151.9	-75.9	148.3	0	0	0	119.3
2047	P	41.8	Very low	34.3	Very low	104 Å²	104	120.4 Å²	120.4	68%	0.675	73%	0.725	S	S	*	*			cis	-142.3	-164.1	11.9	26.9	0.8	0	0	0	117.4
2048	T	31.2	Very low	34	Very low	123 Å²	123	119.1 Å²	119.1	76%	0.755	72%	0.723	S	S	*	*			trans	75.6	105.8	139.9	35.1	0	0	0	0	124.4
2049	A	31.5	Very low	33.8	Very low	83 Å²	83	120 Å²	120	69%	0.686	72%	0.72	S	S	*	*				89.9	148.3	106.7	0	0	0	0	0	123.9
2050	S	31	Very low	33.5	Very low	121 Å²	121	118.2 Å²	118.2	85%	0.846	72%	0.72	S	S	*	*			trans	71.9	158.9	155.2	82.2	0	0	0	0	118.4
2051	S	31.2	Very low	33.4	Very low	102 Å²	102	120.1 Å²	120.1	71%	0.713	72%	0.718	S	S	*	*			cis	-162.8	165	-39.6	-172.5	0	0	0	0	109.3
2052	S	32.1	Very low	33.2	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	72%	0.718	S	S	*	*			trans	71.5	162.9	152	98.1	0	0	0	0	116.7
2053	K	32.9	Very low	32.8	Very low	185 Å²	185	122.8 Å²	122.8	80%	0.804	72%	0.717	S	S	*	*			cis	-158.8	-179.4	-29.5	-122.7	179.9	-178.6	176.8	0	108.6
2054	S	29.6	Very low	32.7	Very low	90 Å²	90	122 Å²	122	63%	0.629	71%	0.708	S	S	*	*			trans	54.7	120.6	138.1	68.4	0	0	0	0	119.5
2055	V	31	Very low	32.5	Very low	135 Å²	135	118.1 Å²	118.1	82%	0.818	70%	0.696	S	S	*	*				101.7	143.9	92.3	153.1	0	0	0	0	110
2056	S	31.5	Very low	32.3	Very low	78 Å²	78	121.3 Å²	121.3	55%	0.545	70%	0.698	S	S	.	*			cis	-166.7	-157.9	-23.4	61.8	0	0	0	0	106.5
2057	T	32.8	Very low	32.2	Very low	114 Å²	114	118.3 Å²	118.3	70%	0.699	69%	0.69	S	S	*	*			trans	63.4	150.7	149.6	51.1	0	0	0	0	119.9
2058	N	30.7	Very low	31.8	Very low	115 Å²	115	121.4 Å²	121.4	62%	0.615	69%	0.693	S	S	*	*			cis	-151.4	152.8	-35.1	-123.6	17.3	0	0	0	108.4
2059	E	31.9	Very low	32	Very low	121 Å²	121	119.7 Å²	119.7	57%	0.565	68%	0.683	S	S	*	*			trans	59.2	-171.3	148.5	-64.2	175.3	103	0	0	113.2	K2061	E2059-K2061 WeakPolarHBondContact OE1-CE 3.29Å; E2059-K2061 IonicContact OE1-NZ 2.83Å; E2059-K2061 PolarHBondContact OE1-NZ 3.13Å
2060	S	30	Very low	32.1	Very low	97 Å²	97	126.8 Å²	126.8	68%	0.678	69%	0.692	S	S	*	*			cis	-111.2	145.6	-11.6	-71.4	0	0	0	0	107.6
2061	K	31.4	Very low	32.1	Very low	155 Å²	155	125.3 Å²	125.3	67%	0.674	68%	0.681	S	S	*	*				44.7	119.3	77.7	-57.7	170.4	176.5	167.2	0	109.8	E2059	E2059-K2061 WeakPolarHBondContact OE1-CE 3.29Å; E2059-K2061 IonicContact OE1-NZ 2.83Å; E2059-K2061 PolarHBondContact OE1-NZ 3.13Å
2062	D	29.5	Very low	32.3	Very low	127 Å²	127	130.4 Å²	130.4	68%	0.679	69%	0.685	S	S	*	*			cis	-168.7	-160.1	10.5	-143.6	-47.7	0	0	0	111.2
2063	I	32.1	Very low	32.2	Very low	138 Å²	138	133.2 Å²	133.2	71%	0.708	69%	0.686	S	S	*	*			trans	71.8	116.1	135.3	-81.5	163.6	0	0	0	118.1
2064	T	31.5	Very low	32.3	Very low	101 Å²	101	131 Å²	131	62%	0.62	68%	0.681	S	S	*	*			cis	-168.1	-175.4	-14.9	5.8	0	0	0	0	111.8
2065	L	34.2	Very low	32.5	Very low	117 Å²	117	134.8 Å²	134.8	61%	0.613	69%	0.687	S	S	*	*			trans	51.1	119.5	137.1	-63.2	159.3	0	0	0	121
2066	K	35.1	Very low	32.5	Very low	180 Å²	180	139.7 Å²	139.7	78%	0.783	69%	0.69	S	S	*	*				60.3	-170.8	124.4	-63.2	179.3	-174.1	161.5	0	116.8
2067	S	33.9	Very low	32.6	Very low	93 Å²	93	140.2 Å²	140.2	65%	0.65	70%	0.7	S	S	*	*				-102.5	144.1	-56.7	-68.5	0	0	0	0	107.5
2068	K	33.2	Very low	32.6	Very low	169 Å²	169	139.8 Å²	139.8	74%	0.735	70%	0.701	S	S	*	*			cis	68.5	147.6	48	-151	-162.7	-176.8	-178.4	0	112.2
2069	T	34.2	Very low	32.8	Very low	88 Å²	88	140 Å²	140	54%	0.54	71%	0.707	S	S	.	*			trans	65	115.6	158.4	35.2	0	0	0	0	120.4
2070	R	35.4	Very low	33.1	Very low	232 Å²	232	140 Å²	140	88%	0.875	72%	0.715	S	S	*	*				80	157.5	127.9	-69	172.4	175.2	-175.5	-2	118.2
2071	S	31	Very low	33.9	Very low	89 Å²	89	140.4 Å²	140.4	62%	0.622	72%	0.715	S	S	*	*			cis	-178.5	-170.2	-31.2	-159.4	0	0	0	0	107.7
2072	R	33.7	Very low	34.1	Very low	209 Å²	209	136.9 Å²	136.9	79%	0.789	71%	0.707	S	S	*	*			trans	47.4	100.2	143.1	-75.8	164.1	-172.4	-151.9	-2.9	116
2073	H	31.6	Very low	34.3	Very low	164 Å²	164	135.8 Å²	135.8	76%	0.759	70%	0.701	S	S	*	*				98.4	172.3	85.5	-101.8	-37.9	0	0	0	110.2
2074	I	34.2	Very low	34.6	Very low	139 Å²	139	133.4 Å²	133.4	71%	0.713	69%	0.689	S	S	*	*			trans	65.4	124	143.1	-82.4	159.9	0	0	0	115.8
2075	K	34.4	Very low	34.7	Very low	170 Å²	170	135 Å²	135	74%	0.739	69%	0.693	S	S	*	*			cis	-133.9	149.4	11.6	-104.4	143.5	-171	178.9	0	108.6
2076	R	31.3	Very low	34.8	Very low	237 Å²	237	134.1 Å²	134.1	89%	0.894	69%	0.692	S	S	*	*				41.5	103.5	90.5	-59.8	-176.1	177.8	175.8	-2	114.6
2077	A	32.7	Very low	34.8	Very low	90 Å²	90	132 Å²	132	74%	0.744	69%	0.689	S	S	*	*			trans	-167.4	96.1	138.2	0	0	0	0	0	106.5
2078	S	31.8	Very low	34.9	Very low	104 Å²	104	133 Å²	133	73%	0.727	69%	0.691	S	S	*	*				88.1	148.6	60.9	67.8	0	0	0	0	112.9
2079	V	36.7	Very low	34.8	Very low	121 Å²	121	130.3 Å²	130.3	73%	0.733	69%	0.694	S	S	*	*			trans	66.3	94.3	175.2	-165.8	0	0	0	0	112.9
2080	T	37.1	Very low	35.3	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	70%	0.702	S	S	*	*				60.3	161.8	50	86.9	0	0	0	0	113.8
2081	P	46.5	Very low	35.1	Very low	106 Å²	106	129.9 Å²	129.9	69%	0.688	70%	0.702	S	S	*	*			cis	-124.2	-146.8	-27.6	21.3	3.3	0	0	0	109.4
2082	V	36.2	Very low	35.2	Very low	82 Å²	82	135.3 Å²	135.3	50%	0.497	71%	0.709	S	S	.	*			trans	75.3	121.9	150.6	171.9	0	0	0	0	118.7
2083	D	33.9	Very low	35.2	Very low	104 Å²	104	136.3 Å²	136.3	56%	0.556	71%	0.713	S	S	*	*			cis	-165.2	175.6	-24.3	-136.2	-22.4	0	0	0	114.2
2084	N	37.2	Very low	35.3	Very low	87 Å²	87	131 Å²	131	47%	0.465	69%	0.692	S	S	.	*			trans	72.5	113.5	136.6	-75.9	-31	0	0	0	122.2
2085	I	34.6	Very low	35.4	Very low	136 Å²	136	130.1 Å²	130.1	70%	0.697	69%	0.688	S	S	*	*				68.8	131.8	113.7	-64.5	178.8	0	0	0	118.6
2086	T	35.4	Very low	35.6	Very low	98 Å²	98	129.1 Å²	129.1	60%	0.601	68%	0.679	S	S	*	*			cis	-169.3	178.3	-18.1	41.5	0	0	0	0	109.1
2087	N	35.6	Very low	35.8	Very low	134 Å²	134	121.3 Å²	121.3	72%	0.717	66%	0.661	S	S	*	*				85.2	128	126.1	-83.3	-14.9	0	0	0	123.3
2088	V	36.8	Very low	35.7	Very low	115 Å²	115	124.3 Å²	124.3	70%	0.697	65%	0.653	S	S	*	*				71	87.1	126.5	-178.9	0	0	0	0	117.9
2089	S	30.9	Very low	35.9	Very low	113 Å²	113	128.3 Å²	128.3	79%	0.79	66%	0.658	S	S	*	*				63.8	161.3	103.8	-67.4	0	0	0	0	121.5
2090	P	44.9	Very low	35.7	Very low	110 Å²	110	128.4 Å²	128.4	71%	0.714	66%	0.658	S	S	*	*			trans	-119	145.7	-154.3	39.2	-27.4	0	0	0	115.7
2091	K	31.3	Very low	35.4	Very low	200 Å²	200	129.7 Å²	129.7	87%	0.87	66%	0.659	S	S	*	*			trans	-179.2	168.1	142.1	-101.4	151.4	-172.8	174.2	0	112.9
2092	R	32.9	Very low	34.8	Very low	203 Å²	203	130.1 Å²	130.1	77%	0.766	66%	0.66	S	S	*	*			trans	-11.5	132.3	156.4	-56.7	161.8	169.4	-169.7	-4.2	114.9
2093	R	34	Very low	34.9	Very low	231 Å²	231	132.4 Å²	132.4	87%	0.872	68%	0.677	S	S	*	*				-145.7	141.8	68.2	-92.5	173.3	160.7	132.9	-9.1	110.1
2094	V	33.1	Very low	34.7	Very low	53 Å²	53	131.6 Å²	131.6	32%	0.321	69%	0.685	S	S	.	*				67.4	115.3	72	178.5	0	0	0	0	112.6	T164 K166	T164-V2094 HydrophobicContact CG2-CG1 4.26Å; K166-V2094 HydrophobicContact CD-CG2 4.16Å
2095	L	36.5	Very low	34.3	Very low	120 Å²	120	132 Å²	132	63%	0.628	69%	0.694	S	S	*	*				-173.4	140.5	113.9	-84.9	173.3	0	0	0	109.3
2096	R	37.6	Very low	34.1	Very low	148 Å²	148	133.6 Å²	133.6	56%	0.558	70%	0.699	S	S	*	*			trans	42.8	132.5	135.9	-53.2	176.4	173.1	165	-2.9	119.1	M163 T164	M163-R2096 HydrophobicContact CB-CG 4.04Å; M163-R2096 HydrophobicContact CE-CB 4.39Å; M163-R2096 HydrophobicContact CG-CB 4.29Å; M163-R2096 HydrophobicContact CG-CG 3.62Å; M163-R2096 HydrophobicContact SD-CB 3.94Å; M163-R2096 HydrophobicContact SD-CG 3.95Å; T164-R2096 HydrophobicContact CG2-CG 4Å
2097	S	36.5	Very low	33.9	Very low	74 Å²	74	135.8 Å²	135.8	52%	0.517	71%	0.705	S	S	.	*			cis	-145.7	142.7	9.7	-39.3	0	0	0	0	107.8	M163	M163-S2097 WeakPolarHBondContact CE-OG 3.37Å; M163-S2097 PolarHBondContact SD-OG 3.49Å
2098	W	30.4	Very low	33.8	Very low	152 Å²	152	134.1 Å²	134.1	58%	0.576	70%	0.704	S	S	*	*				50.4	102.4	69	-78.2	30.1	0	0	0	114.6	M163 T164	M163-W2098 VanDerWaalsContact C-CH2 3.47Å; M163-W2098 WeakPolarHBondContact O-CH2 3.3Å; M163-W2098 WeakPolarHBondContact O-CZ3 3.2Å; T164-W2098 VanDerWaalsContact N-CE2 3.33Å; T164-W2098 VanDerWaalsContact N-CZ2 3.32Å; T164-W2098 PolarHBondContact O-NE1 3.2Å
2099	K	36.6	Very low	33.7	Very low	188 Å²	188	137.6 Å²	137.6	82%	0.817	71%	0.713	S	S	*	*				-156.7	138.5	87.1	-149	168.6	-173.8	179.9	0	111.1
2100	V	31.3	Very low	34.3	Very low	123 Å²	123	136.4 Å²	136.4	75%	0.745	70%	0.702	S	S	*	*			trans	-104.7	135.8	166.3	170	0	0	0	0	106.6
2101	I	31.4	Very low	33.9	Very low	146 Å²	146	137.6 Å²	137.6	75%	0.749	70%	0.701	S	S	*	*			trans	-130.7	111	159.2	-61.6	-176.5	0	0	0	106.7
2102	T	33.9	Very low	34.1	Very low	116 Å²	116	134 Å²	134	71%	0.712	69%	0.688	S	S	*	*			trans	-74.9	159	171	17.9	0	0	0	0	110.7
2103	P	37.9	Very low	34.3	Very low	129 Å²	129	131.6 Å²	131.6	84%	0.838	69%	0.685	S	S	*	*			trans	-82.1	149.9	-160.3	33.1	-37	0	0	0	114.2
2104	A	28.7	Very low	34.4	Very low	88 Å²	88	127.9 Å²	127.9	73%	0.727	68%	0.675	S	S	*	*			trans	-150.7	166.9	168.2	0	0	0	0	0	110.6
2105	S	29.9	Very low	34.5	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	70%	0.698	S	S	*	*			trans	49.5	94.6	150.5	62.3	0	0	0	0	120.2
2106	E	30.6	Very low	34.5	Very low	170 Å²	170	131.4 Å²	131.4	79%	0.794	70%	0.698	S	S	*	*				84.4	153.7	104.3	-81.3	177.3	142.1	0	0	126
2107	I	31.7	Very low	34.5	Very low	143 Å²	143	130.4 Å²	130.4	73%	0.733	71%	0.709	S	S	*	*			trans	85	151.8	145.1	-79.2	159.3	0	0	0	120.8
2108	S	33.2	Very low	34.4	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	72%	0.719	S	S	*	*			trans	52.2	93	174.6	45.1	0	0	0	0	118.6
2109	Q	35.1	Very low	34.8	Very low	189 Å²	189	133.2 Å²	133.2	88%	0.883	73%	0.729	S	S	*	*				85.1	151.5	69.9	-72.3	-87.1	-11.9	0	0	114.4
2110	P	42.7	Very low	34.8	Very low	88 Å²	88	131 Å²	131	57%	0.571	73%	0.725	S	S	*	*			trans	-120.4	-169	-155.9	45.9	-36.1	0	0	0	114.2
2111	I	37	Very low	35.3	Very low	135 Å²	135	129.9 Å²	129.9	69%	0.692	72%	0.718	S	S	*	*			trans	-169.5	112.6	151.5	-98.6	147.6	0	0	0	104.3
2112	Q	36	Very low	35.7	Very low	124 Å²	124	127.2 Å²	127.2	58%	0.579	71%	0.706	S	S	*	*				50.2	130.5	77.8	-61.4	-161.7	59.1	0	0	112.1
2113	E	36.6	Very low	35.9	Very low	152 Å²	152	128 Å²	128	71%	0.71	70%	0.699	S	S	*	*				-149.1	147	50.3	-78.5	178.9	112.6	0	0	109.4
2114	K	35.8	Very low	36	Very low	153 Å²	153	123.8 Å²	123.8	67%	0.665	67%	0.672	S	S	*	*			cis	91	156.5	46.9	-81.4	175.4	164	164.7	0	113.8
2115	I	36.1	Very low	36.6	Very low	156 Å²	156	126.8 Å²	126.8	80%	0.8	67%	0.669	S	S	*	*			trans	79.6	141.9	170.1	-44.2	-174.1	0	0	0	115.8
2116	S	35.4	Very low	37	Very low	91 Å²	91	127.8 Å²	127.8	64%	0.636	67%	0.667	S	S	*	*				-176.2	125.8	-65.9	-93.8	0	0	0	0	113.1
2117	T	36.8	Very low	37.5	Very low	127 Å²	127	128.3 Å²	128.3	78%	0.779	67%	0.666	S	S	*	*			trans	63.8	153.5	138	66.1	0	0	0	0	123.3
2118	S	35.6	Very low	37.8	Very low	105 Å²	105	126.7 Å²	126.7	73%	0.734	66%	0.663	S	S	*	*			trans	94	146.7	142.6	95.4	0	0	0	0	117.1
2119	K	37.6	Very low	38	Very low	181 Å²	181	127.6 Å²	127.6	79%	0.787	67%	0.665	S	S	*	*			cis	-170.6	175.3	-13.2	-122.7	178.6	-175.1	178.3	0	110.5
2120	I	38.1	Very low	38.2	Very low	141 Å²	141	124.6 Å²	124.6	72%	0.723	66%	0.655	S	S	*	*			trans	73.5	153.5	150.2	-71.3	154.9	0	0	0	118.4
2121	T	40.3	Very low	38.2	Very low	99 Å²	99	126.1 Å²	126.1	61%	0.607	66%	0.658	S	S	*	*				-159.3	165.5	-59	52.8	0	0	0	0	112.5
2122	N	40	Very low	38.3	Very low	91 Å²	91	126.4 Å²	126.4	49%	0.487	66%	0.661	S	S	.	*			trans	86.5	126.1	132.4	-84.1	-36.1	0	0	0	124.1	V1061	V1061-N2122 WeakPolarHBondContact CG1-O 3.32Å
2123	K	39.8	Very low	38.5	Very low	132 Å²	132	124.3 Å²	124.3	57%	0.574	66%	0.66	S	S	*	*			trans	70.5	155.1	132	-69.3	173.7	-175.4	178.6	0	119.7	P1062 P1063	P1062-K2123 CarbonylContact C-O 3.5Å; P1062-K2123 WeakPolarHBondContact CA-O 3.32Å; P1063-K2123 WeakPolarHBondContact CA-O 3.26Å; P1063-K2123 WeakPolarHBondContact CB-O 3.45Å
2124	S	39.1	Very low	38.7	Very low	40 Å²	40	119.9 Å²	119.9	28%	0.28	64%	0.641	S	S	.	*			cis	178	165.8	-18.8	62	0	0	0	0	113.9	P1062 T1064	P1062-S2124 PolarHBondContact O-N 3.14Å; T1064-S2124 PolarHBondContact N-O 2.76Å
2125	K	40.7	Very low	39	Very low	151 Å²	151	116.7 Å²	116.7	66%	0.657	63%	0.631	S	S	*	*			trans	71.1	157.9	151.5	-68.5	172.4	163.8	-170.3	0	118.6	T1064	T1064-K2125 HydrophobicContact CG2-CB 3.62Å; T1064-K2125 HydrophobicContact CG2-CD 3.62Å; T1064-K2125 HydrophobicContact CG2-CG 4.19Å
2126	L	39.1	Very low	39.2	Very low	117 Å²	117	115.6 Å²	115.6	61%	0.613	63%	0.627	S	S	*	*			cis	-160.3	152.1	-9.5	-105.5	162.5	0	0	0	113.7
2127	K	39.9	Very low	39.2	Very low	181 Å²	181	115.8 Å²	115.8	79%	0.787	63%	0.629	S	S	*	*			trans	52.9	166.4	144.6	-79.9	177.9	177.9	-171.2	0	124
2128	T	39	Very low	39.1	Very low	108 Å²	108	112 Å²	112	66%	0.663	61%	0.608	S	S	*	*			cis	178.8	174.2	-39.5	-85	0	0	0	0	110.1
2129	T	38.3	Very low	39.2	Very low	119 Å²	119	111.2 Å²	111.2	73%	0.73	60%	0.598	S	S	*	*			trans	93.9	145.8	167.3	74.1	0	0	0	0	117.2
2130	N	39.3	Very low	39.1	Very low	126 Å²	126	105.5 Å²	105.5	67%	0.674	58%	0.578	S	S	*	*			cis	-157.7	153.3	-13.8	-113.9	10.4	0	0	0	115.5
2131	N	40.7	Very low	38.9	Very low	120 Å²	120	103.3 Å²	103.3	64%	0.642	58%	0.575	S	S	*	*			trans	67.1	134.9	138.4	-64.9	7.3	0	0	0	127.3
2132	N	39.9	Very low	38.7	Very low	141 Å²	141	108.3 Å²	108.3	75%	0.754	59%	0.589	S	S	*	*			trans	70.7	153.5	138.9	-65.6	9.6	0	0	0	123.7
2133	S	40.4	Very low	38.4	Very low	80 Å²	80	108.8 Å²	108.8	56%	0.559	60%	0.599	S	S	*	*			cis	-173.5	161.8	-34.7	60.5	0	0	0	0	113.6
2134	N	41.6	Very low	38.2	Very low	59 Å²	59	108.3 Å²	108.3	32%	0.316	61%	0.607	S	S	.	*			trans	94.2	128.9	141.7	-87.5	-61.1	0	0	0	126.3	S551 A552 A553	S551-N2134 VanDerWaalsContact CB-OD1 3.27Å; S551-N2134 WeakPolarHBondContact CB-OD1 3.18Å; S551-N2134 VanDerWaalsContact O-CG 3.31Å; S551-N2134 PolarHBondContact O-ND2 2.66Å; S551-N2134 PolarHBondContact O-OD1 3.01Å; S551-N2134 PolarHBondContact OG-ND2 2.97Å; S551-N2134 PolarHBondContact OG-OD1 2.93Å; A552-N2134 WeakPolarHBondContact O-CA 3.31Å; A552-N2134 PolarHBondContact O-N 3.03Å; A553-N2134 WeakPolarHBondContact CB-O 3.32Å
2135	N	42	Very low	38	Very low	85 Å²	85	115.8 Å²	115.8	46%	0.455	64%	0.638	S	S	.	*			trans	54.4	122.5	151.8	-67.9	-34	0	0	0	127	A552	A552-N2135 WeakPolarHBondContact CB-OD1 3.4Å
2136	N	38.5	Very low	37.8	Very low	133 Å²	133	112.5 Å²	112.5	71%	0.711	64%	0.639	S	S	*	*				57.8	156.7	118.1	-58.5	-3.1	0	0	0	122.9
2137	S	37.3	Very low	37.7	Very low	96 Å²	96	114.1 Å²	114.1	67%	0.671	64%	0.641	S	S	*	*			cis	-169.7	-175	-21.1	58.8	0	0	0	0	111.9
2138	S	33.7	Very low	37.7	Very low	48 Å²	48	108.5 Å²	108.5	34%	0.336	62%	0.618	S	S	.	*			trans	96.3	152.2	156.9	87.7	0	0	0	0	121.9	V2001 T2002	V2001-S2138 WeakPolarHBondContact CG2-OG 3.21Å; T2002-S2138 VanDerWaalsContact OG1-CA 3.27Å; T2002-S2138 WeakPolarHBondContact OG1-CA 3.39Å; T2002-S2138 WeakPolarHBondContact OG1-CB 3.26Å
2139	V	37.6	Very low	37.7	Very low	88 Å²	88	106.8 Å²	106.8	53%	0.533	61%	0.61	S	S	.	*			trans	-156.1	142	-155.5	168.4	0	0	0	0	114.3	V2001 T2002	V2001-V2139 CarbonylContact C-O 2.91Å; V2001-V2139 VanDerWaalsContact N-C 3.35Å; T2002-V2139 WeakPolarHBondContact CA-O 3.29Å; T2002-V2139 WeakPolarHBondContact CB-O 3.45Å; T2002-V2139 HydrophobicContact CG2-CB 4.13Å; T2002-V2139 WeakPolarHBondContact CG2-O 3.36Å; T2002-V2139 PolarHBondContact N-O 3.09Å; T2002-V2139 PolarHBondContact OG1-N 3.5Å; T2002-V2139 PolarHBondContact OG1-O 3.2Å
2140	T	35.5	Very low	37.7	Very low	61 Å²	61	104 Å²	104	37%	0.374	60%	0.596	S	S	.	*			trans	-160.6	123.4	156.1	30.7	0	0	0	0	115.8	V2001 T2002	V2001-T2140 PolarHBondContact N-OG1 2.66Å; V2001-T2140 WeakPolarHBondContact O-CB 3.23Å; V2001-T2140 WeakPolarHBondContact O-CG2 3.24Å; V2001-T2140 PolarHBondContact O-OG1 2.71Å; T2002-T2140 HydrophobicContact CG2-CG2 4.26Å
2141	S	35	Very low	37.7	Very low	95 Å²	95	106 Å²	106	66%	0.664	61%	0.605	S	S	*	*				47.6	121.4	106	-52.5	0	0	0	0	124.8
2142	K	34.7	Very low	37.6	Very low	204 Å²	204	105.4 Å²	105.4	89%	0.887	61%	0.61	S	S	*	*				107.9	153.5	119.6	-90.4	179.7	178	-178.7	0	121.5
2143	S	34.8	Very low	37.8	Very low	101 Å²	101	104.7 Å²	104.7	71%	0.706	61%	0.605	S	S	*	*			trans	63.6	111.4	168.4	-139.1	0	0	0	0	117
2144	T	35.7	Very low	37.8	Very low	121 Å²	121	111.3 Å²	111.3	74%	0.742	62%	0.617	S	S	*	*			cis	69.1	112.6	46.9	74.4	0	0	0	0	116.2
2145	Q	34.3	Very low	38.1	Very low	197 Å²	197	115.9 Å²	115.9	92%	0.921	64%	0.637	S	S	*	*				-157.5	178.9	93.8	-95	-162	32.3	0	0	111
2146	A	37.4	Very low	38.2	Very low	83 Å²	83	116.3 Å²	116.3	69%	0.686	64%	0.642	S	S	*	*			trans	-102.3	168.8	-174.8	0	0	0	0	0	112
2147	K	35.7	Very low	38.6	Very low	150 Å²	150	117.5 Å²	117.5	65%	0.652	64%	0.637	S	S	*	*				-175.9	117.3	122	-101.7	-168.9	171.6	-159.6	0	115.5	E1271	E1271-K2147 WeakPolarHBondContact OE1-CE 3.43Å; E1271-K2147 IonicContact OE1-NZ 3.33Å; E1271-K2147 PolarHBondContact OE1-NZ 2.87Å
2148	Q	40.6	Very low	38.9	Very low	63 Å²	63	115.5 Å²	115.5	29%	0.294	62%	0.623	S	S	.	*				63.7	113.1	106.9	-73	-168	-21	0	0	121.1	E1269 T1270 E1271	E1269-Q2148 HydrophobicContact CB-CB 4.4Å; E1269-Q2148 HydrophobicContact CB-CG 3.84Å; E1269-Q2148 VanDerWaalsContact CD-CG 3.45Å; E1269-Q2148 HydrophobicContact CG-CG 4.23Å; E1269-Q2148 VanDerWaalsContact OE1-CG 3.27Å; E1269-Q2148 WeakPolarHBondContact OE1-CG 3.14Å; E1269-Q2148 PolarHBondContact OE1-NE2 2.66Å; T1270-Q2148 HydrophobicContact CG2-CB 4.1Å; T1270-Q2148 HydrophobicContact CG2-CG 3.98Å; T1270-Q2148 WeakPolarHBondContact OG1-CA 3.21Å; T1270-Q2148 WeakPolarHBondContact OG1-CB 2.92Å; T1270-Q2148 WeakPolarHBondContact OG1-CG 3.24Å; E1271-Q2148 VanDerWaalsContact OE2-CB 3.29Å; E1271-Q2148 WeakPolarHBondContact OE2-CB 3.35Å
2149	S	38.3	Very low	39.6	Very low	72 Å²	72	117.9 Å²	117.9	50%	0.503	63%	0.625	S	S	.	*			trans	171.8	151.9	139.2	-81.2	0	0	0	0	116.1	E1269 T1270 E1271	E1269-S2149 CarbonylContact O-C 3.5Å; E1269-S2149 VanDerWaalsContact O-C 3.28Å; T1270-S2149 VanDerWaalsContact OG1-CA 3.31Å; T1270-S2149 WeakPolarHBondContact OG1-CA 3.47Å; T1270-S2149 PolarHBondContact OG1-N 3.47Å; T1270-S2149 VanDerWaalsContact OG1-N 3.08Å; E1271-S2149 WeakPolarHBondContact CB-OG 3.23Å; E1271-S2149 PolarHBondContact O-OG 3.04Å
2150	S	39.5	Very low	40	Very low	62 Å²	62	118.3 Å²	118.3	43%	0.434	63%	0.628	S	S	.	*			trans	-165.1	149.3	170.1	70.3	0	0	0	0	115.3	E1269 T1270	E1269-S2150 VanDerWaalsContact O-CB 3.27Å; E1269-S2150 WeakPolarHBondContact O-CB 3.32Å; E1269-S2150 PolarHBondContact O-N 2.79Å; E1269-S2150 VanDerWaalsContact O-N 3.16Å; E1269-S2150 PolarHBondContact O-OG 3.35Å; T1270-S2150 PolarHBondContact O-N 2.77Å
2151	I	38.1	Very low	40.2	Very low	167 Å²	167	122.7 Å²	122.7	86%	0.856	64%	0.637	S	S	*	*			trans	-133.8	155.6	168.4	-67.7	-174.6	0	0	0	110.3
2152	S	39.3	Very low	40.3	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	64%	0.639	S	S	*	*			trans	-136.8	-140.2	-165.3	71.1	0	0	0	0	114.4
2153	I	43.2	Very low	40.6	Very low	126 Å²	126	121.4 Å²	121.4	65%	0.646	63%	0.627	S	S	*	*			trans	106	107.3	158.7	-58	-173	0	0	0	119.6
2154	R	41.8	Very low	40.9	Very low	220 Å²	220	122.4 Å²	122.4	83%	0.83	62%	0.622	S	S	*	*			trans	68.3	159	146.1	-68.8	171.6	-166.7	-168.9	5.4	121.7
2155	Q	47.2	Very low	41.2	Very low	155 Å²	155	122.5 Å²	122.5	72%	0.724	62%	0.616	S	S	*	*			cis	-164.2	-170.6	-46.1	-126.2	-170.7	63.5	0	0	114.7
2156	T	44.2	Very low	41.6	Very low	93 Å²	93	118.1 Å²	118.1	57%	0.571	60%	0.598	S	S	*	*			trans	79.2	75.9	151.7	41.8	0	0	0	0	126
2157	R	47.5	Very low	41.8	Very low	158 Å²	158	120.3 Å²	120.3	60%	0.596	59%	0.592	S	S	*	*				66.9	104.7	114.3	-71.4	177.7	171.8	177.4	0.3	123.8	K1938	K1938-R2157 WeakPolarHBondContact CD-O 3Å; K1938-R2157 VanDerWaalsContact CE-O 3.32Å; K1938-R2157 WeakPolarHBondContact CE-O 3.13Å; K1938-R2157 VanDerWaalsContact CG-O 3.24Å; K1938-R2157 WeakPolarHBondContact CG-O 3.39Å
2158	S	43.9	Very low	42.2	Very low	54 Å²	54	118.3 Å²	118.3	38%	0.378	59%	0.588	S	S	.	*				84.6	147.8	104.5	80	0	0	0	0	127.4	K1936 K1938	K1936-S2158 PolarHBondContact NZ-OG 2.89Å; K1938-S2158 VanDerWaalsContact CE-O 3.27Å; K1938-S2158 WeakPolarHBondContact CE-O 3.11Å
2159	R	47.4	Very low	42.4	Very low	99 Å²	99	122.3 Å²	122.3	37%	0.374	61%	0.609	S	S	.	*			trans	70.7	152.5	145.6	-79.4	-168.7	-165.7	165.6	7	119.8
2160	T	45.2	Very low	42.7	Very low	97 Å²	97	126.2 Å²	126.2	60%	0.595	62%	0.617	S	S	*	*			cis	-152.9	143.2	6.3	-13	0	0	0	0	115.1
2161	R	41.6	Very low	42.9	Very low	153 Å²	153	131.5 Å²	131.5	58%	0.577	63%	0.633	S	S	*	*			trans	36.2	134.8	140	-82	-170.6	-177.4	162.2	-1	122.9	G1257	G1257-R2161 PolarHBondContact O-NH1 2.86Å; G1257-R2161 PolarHBondContact O-NH2 3.43Å
2162	Q	36.1	Very low	43.4	Very low	149 Å²	149	128.3 Å²	128.3	70%	0.696	61%	0.612	S	S	*	*				-85.5	0	83.7	-84.3	173.7	-73.5	0	0	110	D421 L423	D421-Q2162 PolarHBondContact OD2-NE2 2.69Å; L423-Q2162 HydrophobicContact CD1-CB 4.2Å

Retrieved 2,162 of 2,162 residues in 318.8 ms (Link to these results)

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