| 1 | M | 36.4 | Very low | 40.5 | Very low | 248 Ų | 248 | 135.5 Ų | 135.5 | 100% | 1.222 | 77% | 0.769 | S | S | * | * | | | | 0 | 133.3 | 0 | -75.6 | 156.5 | 150.4 | 0 | 0 | 107.1 | | |
| 2 | V | 28 | Very low | 40.7 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | trans | -129.2 | 162.1 | 179.7 | -177.5 | 0 | 0 | 0 | 0 | 106 | | |
| 3 | D | 33.9 | Very low | 40.5 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | 69.4 | 146.9 | -175.6 | -47 | -54.5 | 0 | 0 | 0 | 113.4 | | |
| 4 | S | 39.7 | Very low | 40.9 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -138.9 | 173 | 18.5 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 5 | N | 41.1 | Very low | 41 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | 111.5 | 56.1 | 166.8 | -58.5 | -12.8 | 0 | 0 | 0 | 117.1 | | |
| 6 | A | 40.5 | Very low | 41 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | | | trans | -92.3 | 99 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 7 | L | 43.9 | Very low | 41.1 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | | | trans | -69.9 | 145.6 | 167 | -107.6 | 71.7 | 0 | 0 | 0 | 110.3 | | |
| 8 | S | 45.2 | Very low | 41.2 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 46% | 0.462 | 70% | 0.704 | S | S | . | * | | | trans | -81.8 | 147.1 | -169 | 80.8 | 0 | 0 | 0 | 0 | 112.9 | K10 E11 | S8-K10 PolarHBondContact O-N 3.4Å; S8-E11 PolarHBondContact N-OE2 3.41Å; S8-E11 PolarHBondContact O-N 3.27Å; S8-E11 PolarHBondContact OG-OE2 3.34Å |
| 9 | S | 41.6 | Very low | 41.1 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -60.6 | -11 | -177.4 | -41.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 10 | K | 47.1 | Very low | 41.2 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -79.8 | -18.7 | 175.7 | -77.6 | -176.4 | 175.5 | 175.8 | 0 | 114 | S8 | S8-K10 PolarHBondContact O-N 3.4Å |
| 11 | E | 48.6 | Very low | 41.1 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 48% | 0.477 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -87.6 | -36.9 | -176.7 | -67.8 | 171.2 | 120.3 | 0 | 0 | 111.8 | S8 Y13 R14 S15 | S8-E11 PolarHBondContact N-OE2 3.41Å; S8-E11 PolarHBondContact O-N 3.27Å; S8-E11 PolarHBondContact OG-OE2 3.34Å; E11-Y13 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 3.14Å; E11-R14 WeakPolarHBondContact O-CB 3.36Å; E11-R14 PolarHBondContact O-N 3.03Å; E11-S15 PolarHBondContact O-N 3.45Å |
| 12 | Y | 42 | Very low | 40.9 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -53.6 | -47.9 | 175.5 | -165.2 | -89.3 | 0 | 0 | 0 | 112.2 | R14 S15 E16 | Y12-R14 PolarHBondContact O-N 3.05Å; Y12-R14 VanDerWaalsContact O-N 3.14Å; Y12-S15 PolarHBondContact O-N 3.31Å; Y12-E16 PolarHBondContact O-N 3.02Å |
| 13 | Y | 38.8 | Very low | 41 | Very low | 177 Ų | 177 | 141 Ų | 141 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -66.2 | -14.7 | -179.6 | -132 | -85 | 0 | 0 | 0 | 114.1 | E11 | E11-Y13 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 3.14Å |
| 14 | R | 45.7 | Very low | 41 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 74% | 0.74 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -88.7 | -44.6 | 179.3 | -137.6 | 171.6 | -169.7 | 162.3 | 2 | 111.3 | E11 Y12 E16 L17 Q18 | E11-R14 WeakPolarHBondContact O-CB 3.36Å; E11-R14 PolarHBondContact O-N 3.03Å; Y12-R14 PolarHBondContact O-N 3.05Å; Y12-R14 VanDerWaalsContact O-N 3.14Å; R14-E16 VanDerWaalsContact C-N 3.35Å; R14-E16 PolarHBondContact O-N 3.18Å; R14-L17 PolarHBondContact O-N 3.2Å; R14-Q18 PolarHBondContact O-N 3.49Å |
| 15 | S | 42.1 | Very low | 40.6 | Very low | 69 Ų | 69 | 141.7 Ų | 141.7 | 48% | 0.483 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -62.5 | -38.5 | 177 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | E11 Y12 L17 Q18 N19 | E11-S15 PolarHBondContact O-N 3.45Å; Y12-S15 PolarHBondContact O-N 3.31Å; S15-L17 PolarHBondContact O-N 3.49Å; S15-Q18 PolarHBondContact O-N 3.45Å; S15-N19 PolarHBondContact O-N 3.34Å |
| 16 | E | 41.4 | Very low | 40.1 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 48% | 0.477 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -73.1 | -28.1 | -175.9 | -163.9 | 164.2 | -165 | 0 | 0 | 113.5 | Y12 R14 | Y12-E16 PolarHBondContact O-N 3.02Å; R14-E16 VanDerWaalsContact C-N 3.35Å; R14-E16 PolarHBondContact O-N 3.18Å |
| 17 | L | 42.7 | Very low | 39.8 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 59% | 0.586 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -73.3 | -35.2 | 167.7 | -77.2 | 169.9 | 0 | 0 | 0 | 112.2 | R14 S15 R20 | R14-L17 PolarHBondContact O-N 3.2Å; S15-L17 PolarHBondContact O-N 3.49Å; L17-R20 PolarHBondContact O-N 3.4Å |
| 18 | Q | 42.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 55% | 0.551 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -71.3 | -32.8 | -178 | -154.2 | 158.3 | -5.2 | 0 | 0 | 112.1 | R14 S15 R20 | R14-Q18 PolarHBondContact O-N 3.49Å; S15-Q18 PolarHBondContact O-N 3.45Å; Q18-R20 VanDerWaalsContact C-N 3.29Å; Q18-R20 PolarHBondContact O-N 3.34Å |
| 19 | N | 40.5 | Very low | 38.7 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -9.8 | 174.3 | -76.2 | -12.9 | 0 | 0 | 0 | 114.8 | S15 | S15-N19 PolarHBondContact O-N 3.34Š|
| 20 | R | 41.5 | Very low | 38.4 | Very low | 209 Ų | 209 | 145.1 Ų | 145.1 | 79% | 0.789 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 4.4 | 177 | -76 | -170.3 | 175.9 | -129.6 | -0.2 | 114.8 | L17 Q18 | L17-R20 PolarHBondContact O-N 3.4Å; Q18-R20 VanDerWaalsContact C-N 3.29Å; Q18-R20 PolarHBondContact O-N 3.34Å |
| 21 | L | 38.9 | Very low | 37.6 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -125.3 | 6.2 | -172.5 | -70.8 | 174.3 | 0 | 0 | 0 | 115.8 | | |
| 22 | Y | 32.9 | Very low | 37.1 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | | | trans | -101.4 | 92.8 | 175.9 | -85.8 | -80.9 | 0 | 0 | 0 | 113 | | |
| 23 | F | 29.6 | Very low | 37 | Very low | 213 Ų | 213 | 147.8 Ų | 147.8 | 93% | 0.934 | 75% | 0.747 | S | S | * | * | | | trans | -89.3 | 127.4 | 155.5 | -94.2 | -87.9 | 0 | 0 | 0 | 109.3 | | |
| 24 | S | 34.2 | Very low | 37.3 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | trans | -133.5 | 91.3 | 175.5 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 25 | N | 31.4 | Very low | 37.5 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | | | trans | 37.5 | 106.4 | 148.5 | -57.3 | -20.2 | 0 | 0 | 0 | 119.5 | | |
| 26 | G | 31.6 | Very low | 38.4 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | | | trans | -146.6 | 111.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 27 | S | 33.7 | Very low | 39.5 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | | | trans | 32.2 | 115 | 166.1 | 59.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 28 | S | 31.4 | Very low | 40.6 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | | | trans | -79.4 | 123.7 | 170.1 | -49.2 | 0 | 0 | 0 | 0 | 113 | | |
| 29 | Q | 35.5 | Very low | 42.1 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | | | trans | -141 | 130.6 | 150.4 | -72.5 | -165.3 | -15.9 | 0 | 0 | 109.7 | | |
| 30 | D | 34.3 | Very low | 43.8 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | | | trans | 10 | 96.8 | 174.3 | -63.5 | -4.2 | 0 | 0 | 0 | 119.6 | K32 | D30-K32 VanDerWaalsContact C-N 3.31Å; D30-K32 PolarHBondContact O-N 2.91Å |
| 31 | M | 29.8 | Very low | 45.1 | Very low | 196 Ų | 196 | 132.2 Ų | 132.2 | 97% | 0.966 | 71% | 0.708 | S | S | * | * | | | trans | -65.9 | 88.7 | 154 | -79.2 | -171.2 | 169.6 | 0 | 0 | 110.4 | I33 | M31-I33 PolarHBondContact O-N 3.47Š|
| 32 | K | 39.6 | Very low | 46.3 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | | | trans | -65.2 | 120.3 | 163.5 | -81.2 | -178.6 | 177.5 | 172.9 | 0 | 109.3 | D30 | D30-K32 VanDerWaalsContact C-N 3.31Å; D30-K32 PolarHBondContact O-N 2.91Å |
| 33 | I | 38.3 | Very low | 47.1 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | | | trans | -52 | 132 | 174.1 | -60 | 170.8 | 0 | 0 | 0 | 108.6 | M31 Y35 | M31-I33 PolarHBondContact O-N 3.47Å; I33-Y35 PolarHBondContact O-N 3.34Å |
| 34 | P | 46.6 | Very low | 48 | Very low | 86 Ų | 86 | 118.4 Ų | 118.4 | 56% | 0.558 | 66% | 0.656 | S | S | * | * | | | trans | -60.5 | 114.3 | 174 | -21.3 | 32.6 | 0 | 0 | 0 | 109.7 | | |
| 35 | Y | 48.8 | Very low | 48.4 | Very low | 212 Ų | 212 | 119.9 Ų | 119.9 | 83% | 0.831 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 126.4 | 170.6 | -73.1 | -84.1 | 0 | 0 | 0 | 108.2 | I33 C37 | I33-Y35 PolarHBondContact O-N 3.34Å; Y35-C37 PolarHBondContact O-N 2.91Å |
| 36 | P | 60.7 | Low | 49.1 | Very low | 66 Ų | 66 | 114.1 Ų | 114.1 | 43% | 0.429 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 137.2 | 178.8 | 25.8 | -34.1 | 0 | 0 | 0 | 109 | T38 | P36-T38 PolarHBondContact O-N 3.06Š|
| 37 | C | 65.4 | Low | 50.1 | Low | 24 Ų | 24 | 118.5 Ų | 118.5 | 16% | 0.162 | 64% | 0.641 | C | S | . | * | P | Polyproline II helix | trans | -57.4 | 127.7 | -178.2 | 172.5 | 0 | 0 | 0 | 0 | 110 | Y35 C39 C40 K41 Q42 C52 | Y35-C37 PolarHBondContact O-N 2.91Å; C37-C39 PolarHBondContact O-N 3.42Å; C37-C39 VanDerWaalsContact O-N 3.13Å; C37-C40 VanDerWaalsContact CB-SG 3.6Å; C37-C40 PolarHBondContact O-N 2.96Å; C37-K41 WeakPolarHBondContact O-CA 3.46Å; C37-K41 PolarHBondContact O-N 3.09Å; C37-Q42 PolarHBondContact N-O 3.44Å; C37-C52 HydrophobicContact CB-CB 4.19Å |
| 38 | T | 66.1 | Low | 50.9 | Low | 127 Ų | 127 | 122.3 Ų | 122.3 | 78% | 0.779 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -29.1 | -176.7 | 45.2 | 0 | 0 | 0 | 0 | 113 | P36 | P36-T38 PolarHBondContact O-N 3.06Š|
| 39 | C | 73.6 | Confident | 52 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 54% | 0.541 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -45.9 | 179.7 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | C37 T57 | C37-C39 PolarHBondContact O-N 3.42Å; C37-C39 VanDerWaalsContact O-N 3.13Å; C39-T57 HydrophobicContact CB-CG2 4.22Å; C39-T57 PolarHBondContact SG-OG1 3.32Å; C39-T57 VanDerWaalsContact SG-OG1 3.41Å |
| 40 | C | 76.6 | Confident | 53.2 | Low | 35 Ų | 35 | 114.9 Ų | 114.9 | 24% | 0.236 | 61% | 0.611 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -109.1 | -15.5 | -173 | 69.4 | 0 | 0 | 0 | 0 | 115.3 | C37 Q42 C55 | C37-C40 VanDerWaalsContact CB-SG 3.6Å; C37-C40 PolarHBondContact O-N 2.96Å; C40-Q42 PolarHBondContact O-N 3.27Å; C40-Q42 PolarHBondContact SG-N 3.32Å; C40-Q42 VanDerWaalsContact SG-N 3.41Å; C40-C55 HydrophobicContact CB-CB 4.22Å |
| 41 | K | 68.3 | Low | 54.6 | Low | 163 Ų | 163 | 113.8 Ų | 113.8 | 71% | 0.709 | 60% | 0.596 | S | S | * | * | | | trans | 55.6 | 19.5 | -170.5 | -62.7 | -164 | 175.1 | -168.5 | 0 | 115.7 | C37 | C37-K41 WeakPolarHBondContact O-CA 3.46Å; C37-K41 PolarHBondContact O-N 3.09Å |
| 42 | Q | 63.2 | Low | 56.6 | Low | 118 Ų | 118 | 105 Ų | 105 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | | | trans | -97.5 | 158.4 | 173.2 | -60.4 | -165.3 | 40.9 | 0 | 0 | 111.4 | C37 C40 S44 D54 | C37-Q42 PolarHBondContact N-O 3.44Å; C40-Q42 PolarHBondContact O-N 3.27Å; C40-Q42 PolarHBondContact SG-N 3.32Å; C40-Q42 VanDerWaalsContact SG-N 3.41Å; Q42-S44 PolarHBondContact O-N 3.41Å; Q42-D54 WeakPolarHBondContact CB-OD2 3.32Å |
| 43 | N | 51.3 | Low | 57.8 | Low | 116 Ų | 116 | 100.4 Ų | 100.4 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | | | trans | -97.5 | 68.3 | -177.7 | -71.4 | -1.8 | 0 | 0 | 0 | 110.7 | P45 | N43-P45 WeakPolarHBondContact O-CD 3.32Š|
| 44 | S | 47.2 | Very low | 59.4 | Low | 24 Ų | 24 | 97.4 Ų | 97.4 | 17% | 0.168 | 53% | 0.534 | C | S | . | . | | | trans | -69.4 | 120.2 | 175.1 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | Q42 S46 C52 D54 | Q42-S44 PolarHBondContact O-N 3.41Å; S44-S46 PolarHBondContact O-N 3.23Å; S44-C52 PolarHBondContact OG-SG 2.8Å; S44-C52 VanDerWaalsContact OG-SG 3.36Å; S44-D54 WeakPolarHBondContact CB-OD2 3.36Å |
| 45 | P | 43.7 | Very low | 60.9 | Low | 132 Ų | 132 | 95.5 Ų | 95.5 | 86% | 0.857 | 52% | 0.522 | S | S | * | . | | | trans | -85.4 | 87.7 | -177.7 | 33.6 | -34 | 0 | 0 | 0 | 112.2 | N43 | N43-P45 WeakPolarHBondContact O-CD 3.32Š|
| 46 | S | 44.8 | Very low | 61.7 | Low | 47 Ų | 47 | 90.1 Ų | 90.1 | 33% | 0.329 | 51% | 0.507 | S | S | . | . | | | trans | -147.1 | 89.5 | 171.6 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | S44 F48 | S44-S46 PolarHBondContact O-N 3.23Å; S46-F48 PolarHBondContact O-N 3.2Å |
| 47 | I | 54 | Low | 62 | Low | 163 Ų | 163 | 89 Ų | 89 | 84% | 0.836 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.3 | 175.3 | -64 | 173.3 | 0 | 0 | 0 | 112.2 | | |
| 48 | F | 50.5 | Low | 61.6 | Low | 205 Ų | 205 | 92.3 Ų | 92.3 | 90% | 0.899 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 9.4 | -172.8 | -64 | -78.5 | 0 | 0 | 0 | 115.1 | S46 | S46-F48 PolarHBondContact O-N 3.2Š|
| 49 | S | 54.1 | Low | 60.8 | Low | 59 Ų | 59 | 89.7 Ų | 89.7 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | | | trans | -104.9 | 133.1 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | R51 | S49-R51 WeakPolarHBondContact CB-O 3.37Å; S49-R51 PolarHBondContact O-N 3.13Å; S49-R51 PolarHBondContact OG-N 3.36Å; S49-R51 VanDerWaalsContact OG-N 3.15Å; S49-R51 PolarHBondContact OG-O 3.17Å |
| 50 | S | 60.3 | Low | 59.6 | Low | 96 Ų | 96 | 91.6 Ų | 91.6 | 67% | 0.671 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -73.2 | -5.1 | 170.5 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | P58 A59 | S50-P58 WeakPolarHBondContact O-CA 3.26Å; S50-A59 PolarHBondContact O-N 3.44Å |
| 51 | R | 63.8 | Low | 57.8 | Low | 122 Ų | 122 | 96.5 Ų | 96.5 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | B | Isolated β-bridge | trans | -130.2 | 144.5 | 179.4 | -63 | -178.5 | 170.4 | -162.5 | -7.9 | 112.1 | S49 D56 T57 | S49-R51 WeakPolarHBondContact CB-O 3.37Å; S49-R51 PolarHBondContact O-N 3.13Å; S49-R51 PolarHBondContact OG-N 3.36Å; S49-R51 VanDerWaalsContact OG-N 3.15Å; S49-R51 PolarHBondContact OG-O 3.17Å; R51-D56 WeakPolarHBondContact CD-O 3.32Å; R51-D56 WeakPolarHBondContact CD-OD1 3.4Å; R51-D56 IonicContact CZ-OD1 3.87Å; R51-D56 IonicContact CZ-OD2 2.9Å; R51-D56 IonicContact NE-OD1 3.84Å; R51-D56 IonicContact NH1-OD1 2.78Å; R51-D56 PolarHBondContact NH1-OD1 3.46Å; R51-D56 IonicContact NH1-OD2 3.62Å; R51-D56 PolarHBondContact NH1-OD2 3.43Å; R51-T57 WeakPolarHBondContact CA-O 3.45Å |
| 52 | C | 71.3 | Confident | 56 | Low | 12 Ų | 12 | 97.9 Ų | 97.9 | 8% | 0.081 | 54% | 0.542 | C | S | . | . | | | trans | -69 | 130.6 | 171.6 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | C37 S44 D54 C55 D56 T57 | C37-C52 HydrophobicContact CB-CB 4.19Å; S44-C52 PolarHBondContact OG-SG 2.8Å; S44-C52 VanDerWaalsContact OG-SG 3.36Å; C52-D54 VanDerWaalsContact C-N 3.28Å; C52-D54 PolarHBondContact O-N 3.01Å; C52-C55 PolarHBondContact O-N 3.19Å; C52-C55 VanDerWaalsContact SG-SG 3.6Å; C52-D56 WeakPolarHBondContact O-CA 3.37Å; C52-D56 PolarHBondContact O-N 2.91Å; C52-T57 PolarHBondContact N-O 3.19Å |
| 53 | A | 65 | Low | 54.6 | Low | 79 Ų | 79 | 98.9 Ų | 98.9 | 65% | 0.653 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -32.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 54 | D | 71.3 | Confident | 53.7 | Low | 80 Ų | 80 | 100.7 Ų | 100.7 | 43% | 0.428 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.6 | -15.6 | -173.1 | -48.7 | -42.2 | 0 | 0 | 0 | 113.9 | Q42 S44 C52 | Q42-D54 WeakPolarHBondContact CB-OD2 3.32Å; S44-D54 WeakPolarHBondContact CB-OD2 3.36Å; C52-D54 VanDerWaalsContact C-N 3.28Å; C52-D54 PolarHBondContact O-N 3.01Å |
| 55 | C | 78.8 | Confident | 52.7 | Low | 45 Ų | 45 | 106.9 Ų | 106.9 | 30% | 0.304 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -145.1 | 2.1 | -173.5 | 61.5 | 0 | 0 | 0 | 0 | 115.8 | C40 C52 T57 | C40-C55 HydrophobicContact CB-CB 4.22Å; C52-C55 PolarHBondContact O-N 3.19Å; C52-C55 VanDerWaalsContact SG-SG 3.6Å; C55-T57 PolarHBondContact O-N 3.36Å; C55-T57 PolarHBondContact SG-OG1 3.41Å |
| 56 | D | 66.5 | Low | 52 | Low | 99 Ų | 99 | 108.8 Ų | 108.8 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | | | trans | 60.1 | 5.5 | 172.4 | -152.5 | 30.9 | 0 | 0 | 0 | 115.5 | R51 C52 | R51-D56 WeakPolarHBondContact CD-O 3.32Å; R51-D56 WeakPolarHBondContact CD-OD1 3.4Å; R51-D56 IonicContact CZ-OD1 3.87Å; R51-D56 IonicContact CZ-OD2 2.9Å; R51-D56 IonicContact NE-OD1 3.84Å; R51-D56 IonicContact NH1-OD1 2.78Å; R51-D56 PolarHBondContact NH1-OD1 3.46Å; R51-D56 IonicContact NH1-OD2 3.62Å; R51-D56 PolarHBondContact NH1-OD2 3.43Å; C52-D56 WeakPolarHBondContact O-CA 3.37Å; C52-D56 PolarHBondContact O-N 2.91Å |
| 57 | T | 65.8 | Low | 51.1 | Low | 44 Ų | 44 | 111.3 Ų | 111.3 | 27% | 0.27 | 61% | 0.61 | S | S | . | * | | | trans | -72.9 | 137.7 | 178.3 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | C39 R51 C52 C55 | C39-T57 HydrophobicContact CB-CG2 4.22Å; C39-T57 PolarHBondContact SG-OG1 3.32Å; C39-T57 VanDerWaalsContact SG-OG1 3.41Å; R51-T57 WeakPolarHBondContact CA-O 3.45Å; C52-T57 PolarHBondContact N-O 3.19Å; C55-T57 PolarHBondContact O-N 3.36Å; C55-T57 PolarHBondContact SG-OG1 3.41Å |
| 58 | P | 57.5 | Low | 49.9 | Very low | 93 Ų | 93 | 109.4 Ų | 109.4 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | B | Isolated β-bridge | trans | -64.7 | 141.8 | 174.3 | 29 | -34.9 | 0 | 0 | 0 | 111 | S50 I60 | S50-P58 WeakPolarHBondContact O-CA 3.26Å; P58-I60 PolarHBondContact O-N 3.28Å |
| 59 | A | 48.8 | Very low | 49 | Very low | 72 Ų | 72 | 105.2 Ų | 105.2 | 60% | 0.595 | 60% | 0.598 | S | S | * | * | | | trans | -68.1 | 113.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S50 N61 | S50-A59 PolarHBondContact O-N 3.44Å; A59-N61 PolarHBondContact O-N 2.84Å |
| 60 | I | 48 | Very low | 47.7 | Very low | 120 Ų | 120 | 110 Ų | 110 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | | | trans | -70 | 101 | 170.9 | -55.8 | 177.3 | 0 | 0 | 0 | 107.5 | P58 Y62 | P58-I60 PolarHBondContact O-N 3.28Å; I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 HydrophobicContact CB-CD2 4.31Å; I60-Y62 HydrophobicContact CB-CE2 4.08Å; I60-Y62 HydrophobicContact CG2-CD2 3.76Å; I60-Y62 HydrophobicContact CG2-CE2 3.42Å; I60-Y62 VanDerWaalsContact CG2-CE2 3.42Å; I60-Y62 HydrophobicContact CG2-CG 4.48Å; I60-Y62 PolarHBondContact O-N 3.43Å |
| 61 | N | 38.6 | Very low | 46.3 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | | | trans | -79.1 | 78.2 | -171.9 | -164.7 | -0.2 | 0 | 0 | 0 | 111.3 | A59 N63 | A59-N61 PolarHBondContact O-N 2.84Å; N61-N63 VanDerWaalsContact C-N 3.32Å; N61-N63 PolarHBondContact O-N 3.2Å |
| 62 | Y | 31.8 | Very low | 44.7 | Very low | 193 Ų | 193 | 113.7 Ų | 113.7 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | | | trans | -70.8 | 84.5 | 170.6 | -73.2 | -78 | 0 | 0 | 0 | 111 | I60 | I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 HydrophobicContact CB-CD2 4.31Å; I60-Y62 HydrophobicContact CB-CE2 4.08Å; I60-Y62 HydrophobicContact CG2-CD2 3.76Å; I60-Y62 HydrophobicContact CG2-CE2 3.42Å; I60-Y62 VanDerWaalsContact CG2-CE2 3.42Å; I60-Y62 HydrophobicContact CG2-CG 4.48Å; I60-Y62 PolarHBondContact O-N 3.43Å |
| 63 | N | 33.5 | Very low | 42.9 | Very low | 139 Ų | 139 | 119 Ų | 119 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | | | trans | -123 | 117.4 | 152.8 | -85.9 | -69.3 | 0 | 0 | 0 | 109 | N61 | N61-N63 VanDerWaalsContact C-N 3.32Å; N61-N63 PolarHBondContact O-N 3.2Å |
| 64 | L | 32.3 | Very low | 41.3 | Very low | 153 Ų | 153 | 121.6 Ų | 121.6 | 80% | 0.801 | 67% | 0.668 | S | S | * | * | | | trans | -68 | 159.4 | 166.8 | -76.9 | 79.9 | 0 | 0 | 0 | 109.6 | L66 | L64-L66 PolarHBondContact O-N 2.96Å; L64-L66 VanDerWaalsContact O-N 3.09Å |
| 65 | N | 26.3 | Very low | 39.3 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | | | trans | -46.6 | 112 | 178.3 | -60 | -28.9 | 0 | 0 | 0 | 113.1 | | |
| 66 | L | 29.5 | Very low | 37.2 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | | | trans | -116.2 | 98.4 | 149.7 | -116.9 | 80.4 | 0 | 0 | 0 | 107.7 | L64 | L64-L66 PolarHBondContact O-N 2.96Å; L64-L66 VanDerWaalsContact O-N 3.09Å |
| 67 | S | 25.8 | Very low | 35.5 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | | | trans | -107.7 | 101.3 | -178 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 68 | T | 28 | Very low | 33.8 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | trans | -143.2 | 98.4 | 162.6 | 48.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 69 | T | 31.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 138 Ų | 138 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | | 48.5 | 113.2 | 77.3 | 70.6 | 0 | 0 | 0 | 0 | 113 | F71 | T69-F71 PolarHBondContact O-N 3.18Š|
| 70 | N | 27.1 | Very low | 31.5 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -54.5 | 131.1 | 166.1 | -56.7 | -25.6 | 0 | 0 | 0 | 109.8 | | |
| 71 | F | 31.5 | Very low | 30.8 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | | | trans | -149.1 | 144.4 | 144.7 | -99.9 | -69.8 | 0 | 0 | 0 | 110 | T69 | T69-F71 PolarHBondContact O-N 3.18Š|
| 72 | S | 29.5 | Very low | 30.5 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | -84.9 | 171.3 | 170.8 | -173 | 0 | 0 | 0 | 0 | 110.1 | | |
| 73 | D | 33.3 | Very low | 30.3 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | trans | 70.5 | 107.3 | 160.1 | -63.9 | -76.7 | 0 | 0 | 0 | 119.5 | | |
| 74 | N | 31.2 | Very low | 30.3 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | | 54.6 | 84 | 121.8 | -58.4 | -47 | 0 | 0 | 0 | 119.3 | | |
| 75 | N | 30.8 | Very low | 30.3 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | | -179.1 | 154.7 | 119.7 | -101 | -62.9 | 0 | 0 | 0 | 113.1 | | |
| 76 | P | 34.8 | Very low | 30.3 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | trans | -93.4 | 137.4 | 171.2 | 35 | -30.2 | 0 | 0 | 0 | 113.4 | | |
| 77 | N | 29.9 | Very low | 30.5 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | | | trans | 46.8 | 117.1 | 148.2 | -163 | 9.6 | 0 | 0 | 0 | 119.1 | F79 | N77-F79 PolarHBondContact OD1-N 3.29Š|
| 78 | P | 30.7 | Very low | 30.7 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | | | | -144.7 | 132.7 | 113.6 | 36.1 | -21.7 | 0 | 0 | 0 | 117.1 | | |
| 79 | F | 28 | Very low | 31 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | | 23.4 | 127.6 | 124.4 | -97.6 | -99.1 | 0 | 0 | 0 | 122.3 | N77 | N77-F79 PolarHBondContact OD1-N 3.29Š|
| 80 | S | 28.6 | Very low | 31 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | 58.3 | 91.3 | 136.5 | 65.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 81 | Q | 34.7 | Very low | 31.3 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -149.8 | 144.6 | 146.7 | -71.5 | -162 | 16.1 | 0 | 0 | 108.4 | | |
| 82 | F | 32.1 | Very low | 31.3 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 75% | 0.746 | 74% | 0.735 | S | S | * | * | | | cis | -144.5 | 149.2 | -11.6 | -129.3 | -73.2 | 0 | 0 | 0 | 109.2 | | |
| 83 | T | 28 | Very low | 31.3 | Very low | 115 Ų | 115 | 139 Ų | 139 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | trans | -78.6 | 148.9 | 176.7 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 84 | F | 32.8 | Very low | 31.1 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | | | trans | -149.7 | 128 | 145.1 | -103.4 | -74.7 | 0 | 0 | 0 | 113.3 | | |
| 85 | L | 31.7 | Very low | 31.2 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | | | trans | 24.4 | 121.3 | 158.5 | -60.5 | 169.4 | 0 | 0 | 0 | 118.7 | | |
| 86 | S | 27 | Very low | 31.1 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | cis | 67.4 | 102.3 | 28.7 | 101.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 87 | K | 33.6 | Very low | 30.9 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | trans | 164.3 | 153.5 | 151.6 | -91 | 152.7 | -172.6 | 174.1 | 0 | 109.1 | | |
| 88 | S | 30.1 | Very low | 30.9 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | | | cis | 167.6 | 153.7 | -36.2 | 54.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 89 | K | 34.5 | Very low | 30.9 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | | | trans | 81.8 | 108.5 | 161.5 | -58.3 | 176.8 | -177.7 | -176.5 | 0 | 118.4 | | |
| 90 | D | 31.5 | Very low | 31 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | | | | -57.6 | 150.9 | 123.5 | -46.5 | -78.6 | 0 | 0 | 0 | 109.2 | | |
| 91 | P | 34 | Very low | 31.3 | Very low | 89 Ų | 89 | 143.7 Ų | 143.7 | 58% | 0.578 | 73% | 0.729 | S | S | * | * | | | | -156.1 | 170.2 | 110.6 | 40.5 | -23.9 | 0 | 0 | 0 | 116.7 | | |
| 92 | F | 31.7 | Very low | 31.1 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 83% | 0.833 | 72% | 0.724 | S | S | * | * | | | trans | 70.4 | 130.6 | 160.3 | -61.6 | -54 | 0 | 0 | 0 | 116.6 | | |
| 93 | S | 28.7 | Very low | 31.1 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | | 72.3 | 131.9 | 53.7 | -157.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 94 | S | 29.7 | Very low | 31.4 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | | | cis | -174.8 | 166.3 | 10.7 | 18.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 95 | V | 31.8 | Very low | 31.4 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | | | trans | 71 | 150.1 | 149.8 | 159.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 96 | W | 30.3 | Very low | 31.5 | Very low | 242 Ų | 242 | 139.6 Ų | 139.6 | 92% | 0.917 | 72% | 0.721 | S | S | * | * | | | cis | -124.1 | 163.4 | 16.1 | -117.3 | -63.6 | 0 | 0 | 0 | 114.1 | | |
| 97 | N | 30 | Very low | 31.7 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | | | trans | -82.3 | 166.3 | 161.3 | -76.2 | -18.6 | 0 | 0 | 0 | 111.7 | | |
| 98 | N | 29.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | | | trans | 80.8 | 128.5 | 145.2 | -83.4 | 29.1 | 0 | 0 | 0 | 121.9 | | |
| 99 | E | 31.8 | Very low | 32.1 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | | | | 85.1 | 101.2 | 128.7 | -69.2 | 179.3 | 110.2 | 0 | 0 | 122.8 | | |
| 100 | Q | 29.6 | Very low | 32.5 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | | 80.5 | 158.5 | 127.9 | -59.3 | -174.5 | 46 | 0 | 0 | 119.6 | | |
| 101 | H | 34.3 | Very low | 32.7 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | 65.2 | 115.7 | -179.6 | -59.3 | -90.2 | 0 | 0 | 0 | 115.8 | | |
| 102 | N | 30.3 | Very low | 32.8 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | | 90.3 | 129.6 | 55.3 | -94.4 | -24.7 | 0 | 0 | 0 | 114.5 | | |
| 103 | F | 32.2 | Very low | 33.1 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | | | trans | 84.1 | 117 | 153.1 | -81.5 | -131.5 | 0 | 0 | 0 | 121.6 | | |
| 104 | V | 34.9 | Very low | 33.8 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | | | | 71.2 | 95.1 | 123.7 | -176.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 105 | N | 31.8 | Very low | 34 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | | 70.4 | 149.8 | 109.5 | -141.6 | 17 | 0 | 0 | 0 | 123.8 | | |
| 106 | N | 33.6 | Very low | 34.7 | Very low | 117 Ų | 117 | 140 Ų | 140 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | trans | 82.1 | 103.5 | 156.2 | -62.9 | -32.5 | 0 | 0 | 0 | 124.1 | | |
| 107 | N | 33 | Very low | 35 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | | 39.4 | 128.3 | 120.1 | -55.8 | -15.7 | 0 | 0 | 0 | 124 | | |
| 108 | S | 34.8 | Very low | 35.3 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | | | | 165.5 | 173.4 | 129 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 109 | L | 35.8 | Very low | 35.6 | Very low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | | -160.9 | -158.5 | -58.8 | -144.9 | 75.8 | 0 | 0 | 0 | 108.9 | | |
| 110 | P | 43.3 | Very low | 35.7 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | | -130.8 | -174.7 | -129.7 | 45.9 | -27.1 | 0 | 0 | 0 | 118.4 | | |
| 111 | S | 35 | Very low | 35.8 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | 168.2 | -177.2 | 139.7 | -77.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 112 | K | 35.8 | Very low | 35.9 | Very low | 192 Ų | 192 | 129.3 Ų | 129.3 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | | | | -168.4 | 170.4 | -84.2 | -159.1 | -178.5 | -177.2 | -174.6 | 0 | 112.9 | | |
| 113 | V | 39.7 | Very low | 36 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | 86.6 | 164.2 | 156.4 | -108.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 114 | P | 42.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | | -150 | -177.4 | -110.9 | 51.3 | -31.3 | 0 | 0 | 0 | 123.4 | | |
| 115 | S | 33.9 | Very low | 35.8 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | 87.2 | 164.4 | 135.1 | 76.9 | 0 | 0 | 0 | 0 | 125.5 | | |
| 116 | P | 46.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | | | trans | -132.2 | -160.4 | -151.5 | 47.6 | -32.4 | 0 | 0 | 0 | 117.6 | | |
| 117 | V | 37.2 | Very low | 35.6 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | -177.9 | 136.4 | 154.3 | 132.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 118 | N | 36 | Very low | 35.6 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | 48.7 | 159.3 | 147.8 | -64.2 | 0.7 | 0 | 0 | 0 | 125.4 | | |
| 119 | S | 35.4 | Very low | 35.4 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | | | cis | -175.8 | 137.6 | -13.3 | 51.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 120 | S | 34.6 | Very low | 35.1 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | 63.1 | 166.5 | 135.3 | -49.8 | 0 | 0 | 0 | 0 | 122.3 | | |
| 121 | L | 32.7 | Very low | 34.4 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | cis | -165.7 | 165.8 | -6.4 | -143.2 | 69.9 | 0 | 0 | 0 | 114.4 | | |
| 122 | T | 34.8 | Very low | 34 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | trans | 64.3 | 152 | 150.2 | 39.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 123 | T | 32.6 | Very low | 33.7 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | | | cis | -176.3 | 152.9 | -30 | 22.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 124 | L | 30.6 | Very low | 33.1 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | trans | 79.5 | 107.9 | 142.5 | -72.6 | 164.3 | 0 | 0 | 0 | 125.6 | | |
| 125 | K | 32.6 | Very low | 32.4 | Very low | 177 Ų | 177 | 129 Ų | 129 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | | 63.6 | 134.1 | 113.9 | -88.1 | -163.1 | 165.8 | -158 | 0 | 126.8 | | |
| 126 | C | 30.6 | Very low | 32 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 60% | 0.595 | 72% | 0.717 | S | S | * | * | | | trans | 68.3 | 157.3 | 131.3 | -63.5 | 0 | 0 | 0 | 0 | 121 | | |
| 127 | D | 31.1 | Very low | 31.2 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | | | cis | -166.3 | 172.7 | -18.3 | -98.8 | -21.7 | 0 | 0 | 0 | 111.6 | | |
| 128 | E | 32.1 | Very low | 30.7 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | trans | 79.3 | 170.8 | 148.2 | -89.5 | -179.2 | -169.4 | 0 | 0 | 124.7 | | |
| 129 | F | 30.9 | Very low | 30.3 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | | | trans | 75.2 | 137.2 | 176.6 | -64.3 | -91.6 | 0 | 0 | 0 | 119.8 | | |
| 130 | S | 29.9 | Very low | 30 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | | | cis | -163.9 | 170.9 | -25.7 | -135.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 131 | T | 28.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | | | trans | -16.3 | 164.4 | 161.5 | 57 | 0 | 0 | 0 | 0 | 121.6 | | |
| 132 | S | 27.8 | Very low | 29.7 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | | | cis | 170.9 | 152.7 | -26.5 | 68.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 133 | K | 29 | Very low | 29.7 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | | | trans | 66.1 | 155.9 | 152.5 | -70.1 | 172.7 | 177.6 | 175.5 | 0 | 116.3 | | |
| 134 | I | 26.8 | Very low | 29.6 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 68% | 0.677 | 72% | 0.72 | S | S | * | * | | | cis | -157.9 | 154.4 | -12.1 | -121.8 | 168.5 | 0 | 0 | 0 | 111 | | |
| 135 | N | 26.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | | | trans | 63.7 | 117.7 | 155.5 | -77.5 | -4.5 | 0 | 0 | 0 | 124.3 | | |
| 136 | L | 27.2 | Very low | 29.6 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 63% | 0.628 | 72% | 0.715 | S | S | * | * | | | | 84.6 | 103.2 | 115.5 | -69.6 | 173.3 | 0 | 0 | 0 | 122.7 | | |
| 137 | R | 27.7 | Very low | 29.4 | Very low | 210 Ų | 210 | 139 Ų | 139 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | | | | 88.3 | 160.4 | 117.5 | -110.2 | -178.1 | -164.4 | 148.6 | 5 | 120 | | |
| 138 | N | 27.6 | Very low | 29.4 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | 74.8 | 140 | 165.9 | -62.4 | -0.2 | 0 | 0 | 0 | 115.1 | | |
| 139 | T | 28.5 | Very low | 29.2 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | | | cis | -160.3 | 156.3 | -7.3 | 11.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 140 | I | 28.3 | Very low | 29.1 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | | | trans | 27.1 | 128.5 | 143.3 | -33.5 | 152.7 | 0 | 0 | 0 | 119.3 | | |
| 141 | E | 29.7 | Very low | 29 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | | | | 177.5 | 171 | 112.5 | -93.5 | -170.2 | -177.4 | 0 | 0 | 115 | | |
| 142 | L | 30.2 | Very low | 29.3 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | | | trans | -114.7 | 155.4 | -166.9 | -68.5 | 79.6 | 0 | 0 | 0 | 113.1 | | |
| 143 | S | 34.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | trans | -161.4 | 120.7 | 136.9 | 6.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 144 | T | 31.2 | Very low | 29.6 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | | | | 71.1 | 143.3 | 63 | 61.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 145 | N | 30.1 | Very low | 29.9 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | | | trans | 74.5 | 140.1 | 170.9 | -56.6 | -36.8 | 0 | 0 | 0 | 116.4 | | |
| 146 | Q | 33 | Very low | 30.1 | Very low | 152 Ų | 152 | 136 Ų | 136 | 71% | 0.71 | 72% | 0.715 | S | S | * | * | | | cis | -162.3 | 165.2 | -1.4 | -117.7 | 159.3 | 20 | 0 | 0 | 111.4 | | |
| 147 | L | 27.6 | Very low | 30.1 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | | | trans | 14.3 | 130.6 | 144.7 | -58.2 | 162 | 0 | 0 | 0 | 119 | | |
| 148 | A | 29.8 | Very low | 30.4 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | | | | 179.1 | 124.8 | 91.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 149 | I | 28.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 131 Ų | 131 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | | 50.5 | 140.4 | 121.3 | -48.7 | 164.2 | 0 | 0 | 0 | 119.9 | | |
| 150 | S | 28.5 | Very low | 30.9 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | 74.6 | 145.1 | 154.6 | 52.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 151 | N | 29.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | | | cis | -178.6 | 178.6 | -32.7 | -109.6 | 12.7 | 0 | 0 | 0 | 108.1 | | |
| 152 | E | 32.5 | Very low | 31.3 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | | | trans | 39.1 | 136.6 | 132.8 | -62.6 | 153.7 | 177.6 | 0 | 0 | 119.6 | | |
| 153 | D | 33.3 | Very low | 31.4 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | | | cis | -171 | -178.3 | 10.8 | -126.4 | -22.2 | 0 | 0 | 0 | 115.8 | | |
| 154 | D | 31.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | | | trans | 64 | 90.2 | 143.1 | -91.3 | -26.9 | 0 | 0 | 0 | 123.1 | | |
| 155 | S | 31.7 | Very low | 31.6 | Very low | 81 Ų | 81 | 136 Ų | 136 | 57% | 0.566 | 73% | 0.733 | S | S | * | * | | | | 66 | 162.1 | 94.9 | 87.4 | 0 | 0 | 0 | 0 | 124.1 | | |
| 156 | R | 31.4 | Very low | 31.8 | Very low | 234 Ų | 234 | 139.7 Ų | 139.7 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | | | trans | 70.3 | 151.7 | 156.1 | -72.1 | 168.2 | 176.3 | -168 | 0.2 | 118 | | |
| 157 | C | 27.7 | Very low | 31.8 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | | | cis | -172 | 168 | -24.1 | -164.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 158 | G | 33.7 | Very low | 32.1 | Very low | 54 Ų | 54 | 134 Ų | 134 | 56% | 0.557 | 74% | 0.738 | S | S | * | * | | | trans | 106 | 139.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 159 | D | 37.3 | Very low | 32.2 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | | | cis | -144.9 | 166.2 | -1.2 | -82.6 | -50 | 0 | 0 | 0 | 112.2 | | |
| 160 | M | 29 | Very low | 32.6 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | -116.8 | 142.2 | 177.2 | -54 | -176.7 | -65.2 | 0 | 0 | 111.7 | I162 | M160-I162 HydrophobicContact CB-CD1 3.92Å; M160-I162 HydrophobicContact CB-CG1 3.68Å; M160-I162 HydrophobicContact CE-CD1 4.22Å; M160-I162 HydrophobicContact CE-CG1 4.43Å; M160-I162 WeakPolarHBondContact O-CD1 3.38Å |
| 161 | E | 36.2 | Very low | 33 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | | | trans | -140.1 | 100 | 147.4 | -76.9 | -170 | 154.1 | 0 | 0 | 105.6 | | |
| 162 | I | 29.6 | Very low | 33.4 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | | | | 73.6 | 144.6 | 52.9 | -41.1 | 158 | 0 | 0 | 0 | 112.3 | M160 | M160-I162 HydrophobicContact CB-CD1 3.92Å; M160-I162 HydrophobicContact CB-CG1 3.68Å; M160-I162 HydrophobicContact CE-CD1 4.22Å; M160-I162 HydrophobicContact CE-CG1 4.43Å; M160-I162 WeakPolarHBondContact O-CD1 3.38Å |
| 163 | I | 32.7 | Very low | 33.4 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | | | trans | 79.6 | 117.9 | 170.1 | -43.3 | -177.9 | 0 | 0 | 0 | 113.1 | | |
| 164 | N | 37.6 | Very low | 33.2 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | | | cis | -148.7 | 158.3 | 39.3 | -139.3 | -22.6 | 0 | 0 | 0 | 115 | | |
| 165 | N | 31.9 | Very low | 33.2 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | | | trans | -111.3 | 154.6 | 178.6 | -66.2 | -75.7 | 0 | 0 | 0 | 111.5 | | |
| 166 | K | 34.4 | Very low | 33 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | | | | 159.5 | 142.6 | 111.9 | -89.6 | 177.4 | 178.8 | -179.4 | 0 | 114.7 | | |
| 167 | G | 33.2 | Very low | 32.8 | Very low | 68 Ų | 68 | 141.8 Ų | 141.8 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | trans | 86.5 | 139.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 168 | T | 34.2 | Very low | 32.8 | Very low | 115 Ų | 115 | 143 Ų | 143 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | cis | -158.2 | 158.9 | -5.3 | 24.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 169 | E | 32.7 | Very low | 32.6 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 23.8 | 141.1 | 146.8 | -67.7 | 112.4 | -125.6 | 0 | 0 | 120.7 | | |
| 170 | E | 35.4 | Very low | 32.1 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | | | cis | -169.2 | 165.7 | 8 | -119.9 | -160.7 | -132.5 | 0 | 0 | 108 | | |
| 171 | N | 36.5 | Very low | 32.1 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 54% | 0.54 | 74% | 0.739 | S | S | . | * | | | cis | -168.2 | 173.6 | -9.2 | -149.8 | -13.6 | 0 | 0 | 0 | 110.8 | | |
| 172 | N | 38 | Very low | 31.6 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | | | trans | 57.9 | 150.8 | 151.3 | -59.8 | -41 | 0 | 0 | 0 | 120.5 | | |
| 173 | N | 33.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | | | cis | -160.4 | 141.7 | -24.9 | -97.6 | -28.2 | 0 | 0 | 0 | 106 | | |
| 174 | I | 28.8 | Very low | 31.4 | Very low | 137 Ų | 137 | 143 Ų | 143 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | | | | 70.2 | 89.9 | 57.4 | -56.4 | 176.9 | 0 | 0 | 0 | 114.6 | | |
| 175 | R | 32.3 | Very low | 30.9 | Very low | 233 Ų | 233 | 143.2 Ų | 143.2 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | | 174.1 | 138.1 | 125.1 | -100.5 | 164.8 | 169.7 | 162.1 | -2.3 | 109.8 | | |
| 176 | S | 27.6 | Very low | 30.7 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | | | cis | 107.3 | 133 | 11.2 | -57.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 177 | Y | 27.2 | Very low | 30.4 | Very low | 211 Ų | 211 | 140 Ų | 140 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | | | trans | 81.8 | 108.7 | 164.3 | -74.4 | -77 | 0 | 0 | 0 | 121.8 | | |
| 178 | H | 27 | Very low | 30.3 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | | 35 | 130.4 | 125.1 | -78.8 | -106.9 | 0 | 0 | 0 | 120.5 | | |
| 179 | Q | 29 | Very low | 30.1 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 93% | 0.925 | 71% | 0.713 | S | S | * | * | | | | -147.8 | 158.7 | 107.5 | -118.8 | 169.7 | -5.9 | 0 | 0 | 112.9 | | |
| 180 | V | 27 | Very low | 30 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 62% | 0.624 | 71% | 0.713 | S | S | * | * | | | trans | -124.7 | 140.1 | -175.9 | 170.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 181 | I | 28.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | | | trans | 175.9 | 116.1 | 160.2 | -94.9 | 148.2 | 0 | 0 | 0 | 104.8 | | |
| 182 | H | 27 | Very low | 29.9 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | | | | 52.9 | 134 | 84.2 | -70.6 | -80.9 | 0 | 0 | 0 | 112.9 | | |
| 183 | T | 27.9 | Very low | 29.6 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 64% | 0.638 | 73% | 0.731 | S | S | * | * | | | cis | -160.2 | 166 | 15.4 | -5.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 184 | D | 29 | Very low | 29.5 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | | | trans | 60 | 112.2 | 148.1 | -53.8 | -30.5 | 0 | 0 | 0 | 123.7 | | |
| 185 | N | 27.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | | | | 28.3 | 144.1 | 120.3 | -53.6 | -43.1 | 0 | 0 | 0 | 119.8 | | |
| 186 | A | 28.4 | Very low | 29.7 | Very low | 68 Ų | 68 | 143 Ų | 143 | 56% | 0.562 | 74% | 0.742 | S | S | * | * | | | cis | -173 | 174.5 | 41.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 187 | Y | 27.4 | Very low | 29.8 | Very low | 212 Ų | 212 | 146.6 Ų | 146.6 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | trans | 71 | 153 | 159.2 | -57.7 | -58 | 0 | 0 | 0 | 118.4 | | |
| 188 | H | 31.6 | Very low | 30 | Very low | 153 Ų | 153 | 146 Ų | 146 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | cis | -149.3 | 142 | 1.6 | -149 | -96.7 | 0 | 0 | 0 | 113.8 | | |
| 189 | M | 28.6 | Very low | 30.2 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | | | trans | 10.2 | 134.4 | 158.7 | -58.1 | -69.8 | -178.9 | 0 | 0 | 123.7 | | |
| 190 | N | 32.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | | 165 | 152.6 | 105.2 | -89.7 | -31.9 | 0 | 0 | 0 | 113.2 | | |
| 191 | Q | 33.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 145 Ų | 145 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | | | cis | -166.1 | 159.9 | -37.2 | -128.3 | -170.5 | 36.2 | 0 | 0 | 110.2 | | |
| 192 | S | 35.5 | Very low | 30.1 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 68.6 | 149.4 | 174.2 | 82.1 | 0 | 0 | 0 | 0 | 117 | | |
| 193 | N | 31.5 | Very low | 30.2 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | cis | -139.2 | 140.3 | 4.4 | -135.9 | -3 | 0 | 0 | 0 | 111.4 | | |
| 194 | P | 31.4 | Very low | 30.1 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | trans | -100.2 | 159.4 | -169.8 | 38.6 | -34.2 | 0 | 0 | 0 | 114 | | |
| 195 | N | 34.6 | Very low | 30 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | | | trans | -174.2 | 36.7 | 138.5 | -101.3 | -47.7 | 0 | 0 | 0 | 113.3 | | |
| 196 | L | 31.3 | Very low | 30 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -103.7 | 62.4 | 175.8 | -159 | 159.3 | 0 | 0 | 0 | 109.9 | | |
| 197 | L | 28.6 | Very low | 29.9 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -156.9 | 65.9 | 171.8 | -142.2 | 102.1 | 0 | 0 | 0 | 114.1 | | |
| 198 | K | 31.6 | Very low | 29.8 | Very low | 198 Ų | 198 | 150.6 Ų | 150.6 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -154.2 | 130.6 | 156 | -117.5 | 166.6 | -174.7 | 172.6 | 0 | 110.4 | | |
| 199 | L | 31.8 | Very low | 29.6 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | trans | 63.7 | 52.5 | -175.4 | -69.3 | 85.8 | 0 | 0 | 0 | 116.1 | | |
| 200 | L | 26.3 | Very low | 29.5 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | | | | -88.5 | 112.1 | 118.3 | -89 | 171.1 | 0 | 0 | 0 | 107 | | |
| 201 | S | 29.1 | Very low | 29.3 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | | | trans | -161.3 | 110.7 | 164.1 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 202 | N | 28.5 | Very low | 29 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 46.7 | 122.3 | 150.9 | -60.2 | -11 | 0 | 0 | 0 | 121.1 | | |
| 203 | C | 27.8 | Very low | 28.6 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | | | trans | -66 | 172.1 | 151.7 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 204 | N | 26.3 | Very low | 28.4 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | 76.9 | 148.3 | 177.3 | -45.1 | -48.5 | 0 | 0 | 0 | 113.1 | | |
| 205 | Q | 27.3 | Very low | 28.4 | Very low | 177 Ų | 177 | 152.4 Ų | 152.4 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | | | cis | -132.2 | 156.2 | 23.8 | -61.8 | 176 | 4 | 0 | 0 | 114.7 | | |
| 206 | L | 28 | Very low | 28.1 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | | | trans | -81.2 | 112.4 | 171.4 | -80.3 | 153.1 | 0 | 0 | 0 | 111.6 | | |
| 207 | V | 25.4 | Very low | 27.9 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 62% | 0.624 | 80% | 0.8 | S | S | * | * | | | trans | -152.1 | 135.7 | 170.7 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 208 | R | 25.5 | Very low | 27.7 | Very low | 215 Ų | 215 | 145.7 Ų | 145.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | cis | -146.8 | 137.4 | -29.4 | -96.9 | 166.3 | -166.3 | 148.5 | 4.5 | 104 | | |
| 209 | N | 26.9 | Very low | 27.5 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | | 61.5 | 146.3 | 72.3 | -80.8 | 3.8 | 0 | 0 | 0 | 115.8 | | |
| 210 | S | 27 | Very low | 27.3 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 69.9 | 127.3 | -166.5 | 66 | 0 | 0 | 0 | 0 | 114.4 | | |
| 211 | S | 28.6 | Very low | 27.4 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | cis | -136.5 | 148.9 | -5.4 | -64.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 212 | V | 26 | Very low | 27.4 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | cis | 71.7 | 138.9 | 43.3 | -170.9 | 0 | 0 | 0 | 0 | 112 | | |
| 213 | E | 26.3 | Very low | 27.6 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 76.4 | 134.2 | -174.4 | -49.3 | -171.2 | 172.2 | 0 | 0 | 115.9 | | |
| 214 | T | 28.5 | Very low | 27.8 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | cis | -156.9 | 149.6 | -16.4 | 10.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 215 | L | 30.4 | Very low | 27.8 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -77.3 | 157.7 | 153.6 | -85.6 | 158.7 | 0 | 0 | 0 | 108.4 | | |
| 216 | P | 28.7 | Very low | 28 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | cis | -151.8 | -146.9 | 44.1 | 44.2 | -21.9 | 0 | 0 | 0 | 115.2 | | |
| 217 | S | 27.2 | Very low | 28.1 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | 67.8 | 129.5 | -179.9 | 66.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 218 | L | 24.6 | Very low | 28.3 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | cis | 77.6 | 144.3 | 34 | -58 | 170.2 | 0 | 0 | 0 | 114.3 | | |
| 219 | Y | 26.4 | Very low | 28.5 | Very low | 226 Ų | 226 | 134 Ų | 134 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | | | trans | 77.2 | 118 | 179.7 | -71.8 | -82.7 | 0 | 0 | 0 | 118.9 | | |
| 220 | S | 27.5 | Very low | 28.8 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | -77.4 | 152.3 | 166.2 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 221 | P | 29.6 | Very low | 29 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -102.9 | 108 | 158.9 | 34 | -25.9 | 0 | 0 | 0 | 112.3 | | |
| 222 | L | 28.1 | Very low | 29.1 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | -113.7 | 159.1 | 138.7 | -94.4 | 86.2 | 0 | 0 | 0 | 106.7 | | |
| 223 | P | 34 | Very low | 29.6 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | cis | -125.2 | -179.5 | -18.9 | 38.8 | -24.9 | 0 | 0 | 0 | 111.7 | | |
| 224 | S | 31.8 | Very low | 29.9 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -131.1 | 126.4 | 155.6 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 225 | L | 26.4 | Very low | 30.1 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | | | trans | -92.1 | 127.5 | -179.5 | -80.1 | 147.1 | 0 | 0 | 0 | 110.4 | | |
| 226 | S | 30.4 | Very low | 30.2 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -162.5 | 125.1 | 148.2 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 227 | S | 31.1 | Very low | 30.4 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | 55.6 | 143.6 | 144.6 | 49.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 228 | V | 30 | Very low | 30.6 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | cis | -164.3 | 138.5 | -16.2 | 106.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 229 | N | 29.2 | Very low | 31 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | 58.2 | 170.2 | 167.3 | -54.2 | -11.8 | 0 | 0 | 0 | 115.6 | | |
| 230 | T | 32.6 | Very low | 31.1 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | cis | -152.7 | 140 | 14.1 | -35.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 231 | L | 31.1 | Very low | 31.3 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | 31.7 | 149.8 | 146.1 | -63.2 | 177.4 | 0 | 0 | 0 | 121.6 | | |
| 232 | H | 31.7 | Very low | 31.4 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | | | cis | -168.9 | -165.3 | -17.7 | -144.7 | -149.4 | 0 | 0 | 0 | 105.9 | | |
| 233 | P | 36 | Very low | 31.5 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 42% | 0.416 | 72% | 0.724 | S | S | . | * | | | trans | -133.6 | -168.4 | -136.5 | 40.8 | -16.5 | 0 | 0 | 0 | 114.7 | N235 | P233-N235 HydrophobicContact CB-CB 4.21Å; P233-N235 HydrophobicContact CG-CB 4.32Å |
| 234 | F | 33.4 | Very low | 31.5 | Very low | 218 Ų | 218 | 135.3 Ų | 135.3 | 96% | 0.956 | 73% | 0.727 | S | S | * | * | | | trans | -175.1 | 95.4 | 147.4 | -87 | -62.3 | 0 | 0 | 0 | 105.6 | | |
| 235 | N | 31.7 | Very low | 31.6 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | | | cis | 85.9 | 137.2 | 26.4 | -142.4 | 32.4 | 0 | 0 | 0 | 115.1 | P233 | P233-N235 HydrophobicContact CB-CB 4.21Å; P233-N235 HydrophobicContact CG-CB 4.32Å |
| 236 | N | 33.2 | Very low | 32 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | | | trans | 72.1 | 148.1 | 176.5 | -55.8 | -2.6 | 0 | 0 | 0 | 116.6 | | |
| 237 | H | 33.4 | Very low | 32.2 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | | | cis | -154.8 | 143.2 | -16.2 | -130.7 | -76.2 | 0 | 0 | 0 | 106.9 | | |
| 238 | F | 30.4 | Very low | 32.2 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | | | cis | 109.3 | 91.5 | -0.1 | -153.3 | -87.7 | 0 | 0 | 0 | 116.3 | | |
| 239 | T | 32.1 | Very low | 32.4 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | | | trans | 76.6 | 167.5 | 157 | 69.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 240 | R | 30.6 | Very low | 32.8 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 73% | 0.732 | 72% | 0.721 | S | S | * | * | | | cis | -172.8 | 141.8 | 27.9 | -156.8 | 163.9 | 173.4 | -164.4 | -4.4 | 117.9 | | |
| 241 | L | 30.5 | Very low | 32.7 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | | | trans | 53.9 | 169.8 | 148 | -72.8 | 176 | 0 | 0 | 0 | 120.2 | | |
| 242 | D | 32.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | | | cis | -160.8 | 168.9 | 14.6 | -121.5 | -31.8 | 0 | 0 | 0 | 108 | | |
| 243 | S | 30 | Very low | 32.8 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | | | cis | -172.4 | -169.6 | -10.6 | -135.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 244 | L | 32.9 | Very low | 32.4 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | trans | 76.5 | 146.2 | 167 | -47.8 | 171.9 | 0 | 0 | 0 | 116.5 | | |
| 245 | M | 33.5 | Very low | 32.2 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 71% | 0.714 | 71% | 0.713 | S | S | * | * | | | cis | -141.1 | 164.5 | 9.3 | -79.5 | -62.7 | -166 | 0 | 0 | 112.2 | | |
| 246 | L | 35 | Very low | 32.2 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | | | trans | 23.2 | 150.1 | 148.6 | -79.8 | 60.1 | 0 | 0 | 0 | 121.5 | | |
| 247 | D | 35.2 | Very low | 31.8 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | cis | -151.7 | -177 | 19.7 | -135.7 | -33.4 | 0 | 0 | 0 | 114.4 | | |
| 248 | N | 30.9 | Very low | 31.5 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | | | trans | -110.2 | 174.3 | -158.6 | -76.3 | -84.6 | 0 | 0 | 0 | 119 | | |
| 249 | T | 35.2 | Very low | 31.3 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 87% | 0.871 | 73% | 0.733 | S | S | * | * | | | trans | 98.4 | 138 | 168.9 | 70.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 250 | S | 36.1 | Very low | 31 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | | | cis | -140.3 | 166.6 | -1.2 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 251 | K | 32.3 | Very low | 31.1 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | -85.5 | 152.8 | -167.2 | -69.8 | 178.2 | 173.8 | -178.1 | 0 | 116.6 | L253 | K251-L253 HydrophobicContact CB-CD1 4.5Å; K251-L253 HydrophobicContact CB-CG 4.26Å; K251-L253 HydrophobicContact CD-CD1 4.19Å; K251-L253 HydrophobicContact CD-CD2 4.24Å; K251-L253 HydrophobicContact CD-CG 4.25Å |
| 252 | C | 31.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | -166.1 | 95.7 | 117.6 | -94.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 253 | L | 31.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 60% | 0.597 | 76% | 0.76 | S | S | * | * | | | | 62.1 | 122.7 | 87.5 | -60.6 | 174.1 | 0 | 0 | 0 | 111.7 | K251 | K251-L253 HydrophobicContact CB-CD1 4.5Å; K251-L253 HydrophobicContact CB-CG 4.26Å; K251-L253 HydrophobicContact CD-CD1 4.19Å; K251-L253 HydrophobicContact CD-CD2 4.24Å; K251-L253 HydrophobicContact CD-CG 4.25Å |
| 254 | S | 28.6 | Very low | 31.3 | Very low | 85 Ų | 85 | 149 Ų | 149 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | | | cis | 61.6 | 143.4 | 44.9 | 92.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 255 | E | 29.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | cis | -165.5 | 179.3 | 16.8 | -145.4 | 148.7 | -150 | 0 | 0 | 109.9 | | |
| 256 | N | 31 | Very low | 31.5 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 69.9 | 132.8 | 170 | -43.9 | -46.5 | 0 | 0 | 0 | 116 | | |
| 257 | Y | 25.8 | Very low | 31.6 | Very low | 220 Ų | 220 | 147.4 Ų | 147.4 | 86% | 0.863 | 76% | 0.758 | S | S | * | * | | | cis | 79.4 | 134.9 | 10.8 | -120.9 | -73.6 | 0 | 0 | 0 | 117.5 | | |
| 258 | I | 26.5 | Very low | 31.5 | Very low | 157 Ų | 157 | 146 Ų | 146 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | | | trans | 85.8 | 150.1 | 175 | -51.5 | -173.1 | 0 | 0 | 0 | 116.3 | | |
| 259 | T | 26.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -108.6 | 177.2 | -150.6 | 43 | 0 | 0 | 0 | 0 | 116.1 | | |
| 260 | E | 26.6 | Very low | 31.9 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | | | trans | 107.5 | 164.4 | 151.2 | -87.8 | 178.2 | 174.6 | 0 | 0 | 120.3 | | |
| 261 | K | 31.7 | Very low | 32 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | | | trans | -107.1 | 158.4 | -147.8 | -56.3 | 177 | 177.7 | -178 | 0 | 114 | | |
| 262 | M | 30 | Very low | 32.3 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 84% | 0.837 | 74% | 0.738 | S | S | * | * | | | trans | 164.6 | 158.6 | 130.6 | -91.4 | 169.7 | 166.1 | 0 | 0 | 109.2 | | |
| 263 | E | 33.8 | Very low | 32.6 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | cis | -162.1 | -153 | -34.7 | -160.4 | 140.6 | -120.9 | 0 | 0 | 107 | | |
| 264 | E | 34.7 | Very low | 32.8 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | 74.7 | 136.5 | 179.1 | -60.9 | -154.8 | -163.3 | 0 | 0 | 117.2 | | |
| 265 | N | 36 | Very low | 33.2 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | cis | -158.4 | 162.6 | -8.8 | -126.2 | -38 | 0 | 0 | 0 | 114.5 | | |
| 266 | N | 34.8 | Very low | 33.5 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | | | trans | 91 | 102.9 | 158.3 | -61.4 | -47.2 | 0 | 0 | 0 | 124.4 | | |
| 267 | Q | 35.3 | Very low | 33.8 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | | 74.3 | 137.7 | 122.8 | -62.5 | 169.4 | 28.5 | 0 | 0 | 121.9 | | |
| 268 | T | 34 | Very low | 34.3 | Very low | 109 Ų | 109 | 145 Ų | 145 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | | | cis | -170.9 | 141.7 | -13.6 | 17.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 269 | K | 36.9 | Very low | 34.8 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | | | trans | 69.1 | 151.3 | 144.9 | -64.5 | -178.1 | 177.4 | -172 | 0 | 121.7 | | |
| 270 | N | 37 | Very low | 35.4 | Very low | 108 Ų | 108 | 143 Ų | 143 | 58% | 0.578 | 72% | 0.72 | S | S | * | * | | | cis | -172.4 | 156.3 | -13.9 | -110.4 | 25.5 | 0 | 0 | 0 | 113.1 | | |
| 271 | E | 37.9 | Very low | 36.1 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | | | trans | 63.6 | 148.7 | 142.8 | -70.3 | 154.4 | 161.4 | 0 | 0 | 122.5 | | |
| 272 | D | 38.9 | Very low | 36.3 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | | | cis | -172.9 | 150.5 | -24.4 | -123.3 | 32.7 | 0 | 0 | 0 | 115.6 | | |
| 273 | N | 38.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | | | trans | 75.2 | 140.6 | 147.1 | -66.1 | -44.7 | 0 | 0 | 0 | 129.5 | | |
| 274 | N | 36.4 | Very low | 36.8 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | | | trans | 72.8 | 154.1 | 141.1 | -78.8 | -17 | 0 | 0 | 0 | 124.1 | | |
| 275 | V | 36.4 | Very low | 36.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | | | cis | -172.3 | 167.6 | -27.9 | 87.7 | 0 | 0 | 0 | 0 | 112 | | |
| 276 | N | 35.9 | Very low | 36.7 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | | | trans | 69.4 | 159.2 | 162.6 | -86.2 | 11.3 | 0 | 0 | 0 | 120.6 | | |
| 277 | E | 36.1 | Very low | 36.7 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 58% | 0.579 | 71% | 0.713 | S | S | * | * | | | cis | -167.7 | 154.6 | -29.4 | -131 | -165.7 | 164.6 | 0 | 0 | 111.3 | | |
| 278 | K | 36.8 | Very low | 36.4 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | | | trans | 62.9 | 160.3 | 152.9 | -79.5 | 167.1 | -174.2 | 139.1 | 0 | 119.6 | | |
| 279 | S | 37.9 | Very low | 36.2 | Very low | 86 Ų | 86 | 141.3 Ų | 141.3 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | | | cis | -163.4 | 147 | -4.9 | 38.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 280 | D | 38.5 | Very low | 36.1 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | | | trans | 61.3 | 154.8 | 149.9 | -44.6 | -23.3 | 0 | 0 | 0 | 119.4 | | |
| 281 | D | 39.7 | Very low | 35.6 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | cis | -152.7 | 157.7 | 14.2 | -147.9 | -7.3 | 0 | 0 | 0 | 115.6 | | |
| 282 | Y | 36.5 | Very low | 35.2 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 73% | 0.725 | 72% | 0.722 | S | S | * | * | | | trans | 46.8 | 114.9 | 156.4 | -106 | -123.9 | 0 | 0 | 0 | 126.4 | | |
| 283 | M | 39.7 | Very low | 34.7 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | | 56.7 | 146.6 | 124 | -59.9 | -53.7 | 176.9 | 0 | 0 | 123.1 | | |
| 284 | D | 35.7 | Very low | 34.3 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | cis | -168.8 | -177.5 | -16.5 | -172.2 | 18.2 | 0 | 0 | 0 | 109.3 | | |
| 285 | S | 34.9 | Very low | 33.9 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | trans | 82.1 | 94.6 | 161.9 | -66.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 286 | K | 32.1 | Very low | 33.5 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | | | trans | -61.5 | 179 | 156.3 | -87.1 | 176.1 | -178.1 | 171 | 0 | 113.6 | | |
| 287 | P | 36.6 | Very low | 33.1 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | cis | -141.5 | -179.3 | -29 | 34 | -13.7 | 0 | 0 | 0 | 115.8 | | |
| 288 | T | 27.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | trans | 93.7 | 124.1 | 149 | -31 | 0 | 0 | 0 | 0 | 119.6 | | |
| 289 | Y | 30.7 | Very low | 32.6 | Very low | 214 Ų | 214 | 141.8 Ų | 141.8 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | | | trans | -3.8 | 146.1 | 156.5 | -62.5 | -73.6 | 0 | 0 | 0 | 119.7 | | |
| 290 | P | 33.5 | Very low | 32.2 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | | | | -159.3 | 169.7 | 54.2 | 46.3 | -26.1 | 0 | 0 | 0 | 121 | | |
| 291 | N | 27.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | | | trans | 62.4 | 136.6 | 144.1 | -137.9 | -1.4 | 0 | 0 | 0 | 122.9 | | |
| 292 | K | 29.9 | Very low | 31.6 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 73% | 0.726 | 74% | 0.735 | S | S | * | * | | | trans | 67.7 | 121.8 | 156.1 | -75.1 | 158.6 | -175.4 | 179.2 | 0 | 121.7 | | |
| 293 | N | 29.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | | | trans | 30.6 | 102.9 | 131.7 | -56.7 | 19.4 | 0 | 0 | 0 | 120.6 | | |
| 294 | S | 29 | Very low | 31.6 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | | | trans | -152.6 | 140.4 | 130.8 | -82.5 | 0 | 0 | 0 | 0 | 106.3 | | |
| 295 | L | 27.6 | Very low | 31.7 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | cis | 72.5 | 142.1 | 47.8 | -149.6 | 87.1 | 0 | 0 | 0 | 112.6 | | |
| 296 | W | 29.3 | Very low | 31.6 | Very low | 213 Ų | 213 | 138 Ų | 138 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | | | trans | 76.9 | 147.3 | -177.5 | -59.1 | -34.8 | 0 | 0 | 0 | 116.7 | | |
| 297 | M | 27.7 | Very low | 31.7 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | | | cis | -163 | 162.8 | -28.8 | -128.1 | 165.7 | 73.4 | 0 | 0 | 110.8 | | |
| 298 | S | 27.8 | Very low | 31.5 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 55% | 0.552 | 74% | 0.737 | S | S | * | * | | | trans | 50.4 | 127.4 | 150.8 | -51.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 299 | N | 32.7 | Very low | 32 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | | 179 | 133.3 | 100.2 | -88 | -31.6 | 0 | 0 | 0 | 112.8 | | |
| 300 | N | 30 | Very low | 32.1 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | trans | 50 | 140.2 | 131.3 | -54.1 | -4.8 | 0 | 0 | 0 | 120.2 | | |
| 301 | C | 30.5 | Very low | 32.1 | Very low | 102 Ų | 102 | 137 Ų | 137 | 69% | 0.689 | 75% | 0.748 | S | S | * | * | | | cis | -167.7 | 176.1 | 8.8 | -126 | 0 | 0 | 0 | 0 | 113.7 | | |
| 302 | T | 36.3 | Very low | 32.6 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | | | trans | 65.4 | 97.4 | 148.7 | 51 | 0 | 0 | 0 | 0 | 122 | | |
| 303 | D | 34.3 | Very low | 33.4 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | | 89.9 | 153.8 | 108.1 | -62.2 | -4.4 | 0 | 0 | 0 | 123.2 | | |
| 304 | P | 40.4 | Very low | 33.6 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | | | trans | -123.4 | -179.7 | -151.8 | 44.5 | -31.4 | 0 | 0 | 0 | 115.1 | | |
| 305 | D | 37.7 | Very low | 33.9 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | | -177.9 | 159.4 | 112.9 | -114 | -17.8 | 0 | 0 | 0 | 117.4 | | |
| 306 | N | 32.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | 61 | 89.1 | 149.8 | -70.1 | -49.3 | 0 | 0 | 0 | 125.3 | | |
| 307 | T | 34.9 | Very low | 34.3 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | | | | 59.7 | 136.1 | 100.2 | 60 | 0 | 0 | 0 | 0 | 125.5 | | |
| 308 | V | 33.4 | Very low | 34.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 92% | 0.915 | 75% | 0.75 | S | S | * | * | | | trans | 84.9 | 132.2 | 141.2 | 164.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 309 | G | 36.1 | Very low | 34.5 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | | | trans | 157.2 | 89.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 310 | F | 32.7 | Very low | 34.4 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | trans | -105.2 | 152.2 | 178.6 | -99.7 | -102.7 | 0 | 0 | 0 | 111.6 | | |
| 311 | E | 35.2 | Very low | 34.3 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | | -177.9 | -176.9 | 120.5 | -97.9 | 172.1 | -162.6 | 0 | 0 | 112 | | |
| 312 | E | 36.9 | Very low | 34.1 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -107.3 | 166.2 | -138.1 | -73.4 | -168.6 | 122.7 | 0 | 0 | 119.6 | | |
| 313 | P | 46.4 | Very low | 33.9 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -111.1 | 177.4 | 179.2 | 42.9 | -34.9 | 0 | 0 | 0 | 114.9 | | |
| 314 | F | 34.6 | Very low | 33.5 | Very low | 205 Ų | 205 | 145.1 Ų | 145.1 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | | | trans | -148.7 | 96.6 | 167.4 | -105.4 | -77.8 | 0 | 0 | 0 | 116.3 | | |
| 315 | D | 35.3 | Very low | 32.9 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | | 47.6 | 154.8 | 120.1 | -141.6 | 8.7 | 0 | 0 | 0 | 127.2 | | |
| 316 | V | 33.5 | Very low | 32.2 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | 54.8 | 142.3 | 163.3 | -148 | 0 | 0 | 0 | 0 | 120.8 | | |
| 317 | G | 30.2 | Very low | 31.9 | Very low | 55 Ų | 55 | 146.8 Ų | 146.8 | 57% | 0.567 | 79% | 0.794 | S | S | * | * | | | cis | 140 | 141 | -14.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 318 | H | 31.4 | Very low | 31.6 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | 64.7 | 163.3 | 167.8 | -63.4 | 72.1 | 0 | 0 | 0 | 116.8 | | |
| 319 | T | 29.2 | Very low | 31.2 | Very low | 126 Ų | 126 | 146 Ų | 146 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | cis | -147.5 | 175.1 | 8.5 | -24.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 320 | M | 29.7 | Very low | 30.8 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | -59.2 | 149.7 | 175.9 | -54.8 | 168 | 177.2 | 0 | 0 | 115.4 | | |
| 321 | K | 27.8 | Very low | 30.6 | Very low | 203 Ų | 203 | 149.8 Ų | 149.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | | -168.4 | 173.5 | 123 | -108.2 | 169.1 | -175.9 | -179.8 | 0 | 113.7 | | |
| 322 | E | 27.8 | Very low | 30.3 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -73.8 | 133.6 | -163 | -57.9 | 169.1 | 108.4 | 0 | 0 | 115.4 | | |
| 323 | V | 30.9 | Very low | 29.7 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | trans | -137.9 | 95.9 | 151 | -179.3 | 0 | 0 | 0 | 0 | 104.7 | | |
| 324 | I | 26.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | | 78.8 | 143.3 | 82.6 | -68.5 | 168.4 | 0 | 0 | 0 | 112.9 | | |
| 325 | K | 27.3 | Very low | 28.3 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | -63.6 | -170.8 | -177.4 | -54.8 | 169.7 | 179.4 | 170.6 | 0 | 113.2 | | |
| 326 | S | 23.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 86.2 | 117.7 | -177.7 | 82.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 327 | S | 26.2 | Very low | 27.4 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | | 77.2 | 114.7 | 90.1 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 328 | I | 28.1 | Very low | 27.4 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | | -164.2 | 129.5 | 88.6 | -95.1 | 151.8 | 0 | 0 | 0 | 106.1 | | |
| 329 | C | 24.5 | Very low | 27.2 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 64% | 0.635 | 76% | 0.76 | S | S | * | * | | | | 62.3 | 131.7 | 76.8 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 330 | N | 28.2 | Very low | 27.2 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | cis | -153.6 | -179 | 7 | -80.7 | -38.7 | 0 | 0 | 0 | 110.9 | | |
| 331 | Y | 27.8 | Very low | 27.3 | Very low | 206 Ų | 206 | 141 Ų | 141 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -52.8 | 160 | 145 | -88.6 | -107.1 | 0 | 0 | 0 | 111 | | |
| 332 | P | 28.7 | Very low | 27.6 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -133 | 178.7 | 42.2 | 41.1 | -21.4 | 0 | 0 | 0 | 112.8 | | |
| 333 | S | 25 | Very low | 27.9 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | | | cis | 68.8 | 111.3 | 40.5 | -43.8 | 0 | 0 | 0 | 0 | 115 | | |
| 334 | N | 25.4 | Very low | 27.9 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | | | trans | 66.9 | 159 | -177.4 | -45.1 | -37.6 | 0 | 0 | 0 | 112.2 | | |
| 335 | I | 27.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | cis | -140.5 | 125.6 | 27.4 | -69.5 | 165.4 | 0 | 0 | 0 | 107 | | |
| 336 | Y | 24.7 | Very low | 28.6 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | | | | 66.3 | 119.4 | 83.2 | -118.7 | -98.3 | 0 | 0 | 0 | 116.4 | | |
| 337 | N | 25.4 | Very low | 29 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | trans | 44.1 | 130 | 157.2 | -63.5 | -2.4 | 0 | 0 | 0 | 122.3 | | |
| 338 | S | 28.7 | Very low | 29.3 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | | | | 157.1 | 111.9 | 116.1 | -67.6 | 0 | 0 | 0 | 0 | 109 | | |
| 339 | S | 28.1 | Very low | 29.4 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | | | | 83.4 | 147 | 57 | 78 | 0 | 0 | 0 | 0 | 113.9 | | |
| 340 | L | 28.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | | | trans | 72.4 | 147 | -176.4 | -57.5 | 123.3 | 0 | 0 | 0 | 115.3 | | |
| 341 | S | 32.1 | Very low | 29.6 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | | | cis | -149.5 | 160.3 | -1.7 | 19.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 342 | L | 34.5 | Very low | 29.6 | Very low | 143 Ų | 143 | 127 Ų | 127 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | | | trans | -79.6 | 169.3 | 179.3 | -134.8 | 75.5 | 0 | 0 | 0 | 112.3 | | |
| 343 | P | 34.4 | Very low | 29.6 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | | | | -129.9 | 141.1 | 78.7 | 11.5 | 11.6 | 0 | 0 | 0 | 114.9 | | |
| 344 | T | 30.3 | Very low | 29.9 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | | 67.7 | 133.6 | 78.9 | -19.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 345 | A | 35 | Very low | 29.9 | Very low | 67 Ų | 67 | 126.3 Ų | 126.3 | 55% | 0.554 | 73% | 0.73 | S | S | * | * | | | cis | -163.8 | 172.8 | 36.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 346 | F | 33.9 | Very low | 29.9 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 77% | 0.768 | 73% | 0.729 | S | S | * | * | | | trans | 65.1 | 112.3 | 165.8 | -62 | -74.7 | 0 | 0 | 0 | 117.9 | | |
| 347 | Q | 32 | Very low | 30 | Very low | 163 Ų | 163 | 122.4 Ų | 122.4 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | | 92.9 | 141.7 | 57 | -82.9 | -164 | -9.5 | 0 | 0 | 112.8 | | |
| 348 | S | 32.7 | Very low | 30.1 | Very low | 84 Ų | 84 | 125 Ų | 125 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | | | cis | -170 | 143.3 | -15.8 | 48.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 349 | S | 29.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | trans | 73.6 | 169.7 | 136.3 | 74.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 350 | L | 31.5 | Very low | 30.2 | Very low | 147 Ų | 147 | 127 Ų | 127 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | | | trans | 79.1 | 76.9 | 162.7 | -66.6 | 164.4 | 0 | 0 | 0 | 118 | | |
| 351 | S | 26.1 | Very low | 30.2 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | | | trans | -53.3 | 146.1 | 138.7 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 352 | I | 28.9 | Very low | 30 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | | | trans | -163 | 144.1 | 149.2 | -101.3 | 146.3 | 0 | 0 | 0 | 108.2 | | |
| 353 | S | 28.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | | | trans | -117.5 | 130.4 | 173.1 | -50.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 354 | P | 30.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | | | trans | -127.1 | 139.6 | 138 | 35.4 | -24.5 | 0 | 0 | 0 | 109.4 | | |
| 355 | T | 24.9 | Very low | 29.9 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | | | cis | 62 | 144 | 48.5 | 75 | 0 | 0 | 0 | 0 | 113.9 | | |
| 356 | H | 27.8 | Very low | 30 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | 64.5 | 143.5 | -172.8 | -69.5 | -84.2 | 0 | 0 | 0 | 115 | | |
| 357 | N | 26.5 | Very low | 29.9 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 54% | 0.54 | 73% | 0.727 | S | S | . | * | | | cis | -170 | 178.9 | -22.8 | -129.1 | 25 | 0 | 0 | 0 | 107.5 | | |
| 358 | Y | 28 | Very low | 29.7 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | trans | 67.2 | 147 | 152.9 | -69.6 | -50 | 0 | 0 | 0 | 117.2 | | |
| 359 | E | 30 | Very low | 29.7 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | cis | -146.8 | 168.5 | -19 | -161.6 | 144.5 | -144.9 | 0 | 0 | 111.1 | | |
| 360 | S | 27.4 | Very low | 29.5 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | trans | -48.2 | 151.1 | 173.9 | -51.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 361 | L | 29.3 | Very low | 29.5 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | | | | 172.7 | 99.7 | 119 | -86.2 | 153 | 0 | 0 | 0 | 107 | | |
| 362 | Q | 27.4 | Very low | 29.6 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | | | | 70.4 | 132.7 | 72.7 | -74 | -141.3 | 14.4 | 0 | 0 | 115.6 | | |
| 363 | V | 28.7 | Very low | 29.6 | Very low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | | | trans | 74.5 | 139.5 | 145.4 | 166.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 364 | E | 32.7 | Very low | 29.6 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | | | cis | -120.5 | 155.3 | 23.7 | -67.5 | -177.6 | 134.6 | 0 | 0 | 116.2 | | |
| 365 | K | 36.5 | Very low | 29.5 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | | | trans | -108.9 | 148.5 | 151.4 | -82.2 | -176.8 | 176.4 | 177.8 | 0 | 108.6 | | |
| 366 | P | 37.7 | Very low | 29.8 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | | | trans | -89.6 | 125.3 | 133 | -16.8 | 33 | 0 | 0 | 0 | 108.7 | | |
| 367 | A | 31.3 | Very low | 29.8 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | | | | 67.1 | 96 | 67.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 368 | I | 28.3 | Very low | 30.1 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | | 70.3 | 107 | 70.2 | -61.1 | 163.4 | 0 | 0 | 0 | 112 | F370 | I368-F370 HydrophobicContact CG2-CB 4.38Å; I368-F370 HydrophobicContact CG2-CD2 4.21Å |
| 369 | N | 31.2 | Very low | 30.2 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | | | trans | -171.4 | 107.1 | 135.8 | -86.7 | -28.4 | 0 | 0 | 0 | 104.8 | | |
| 370 | F | 25.9 | Very low | 30.6 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 75% | 0.746 | 74% | 0.741 | S | S | * | * | | | cis | 65.7 | 149.4 | 42.3 | -116.3 | -76.2 | 0 | 0 | 0 | 112.7 | I368 | I368-F370 HydrophobicContact CG2-CB 4.38Å; I368-F370 HydrophobicContact CG2-CD2 4.21Å |
| 371 | V | 32.3 | Very low | 30.5 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | trans | 76.4 | 137.2 | -179.5 | -171 | 0 | 0 | 0 | 0 | 114.5 | | |
| 372 | N | 27.9 | Very low | 30.5 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | | | cis | 174.5 | 154.7 | -41 | -108.3 | -9.4 | 0 | 0 | 0 | 107.9 | | |
| 373 | H | 28.6 | Very low | 30.7 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | | | trans | 59.9 | 159.6 | 150.7 | -79.7 | -66.6 | 0 | 0 | 0 | 120.6 | | |
| 374 | A | 28.6 | Very low | 30.8 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | | | trans | 73.2 | 140.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 375 | Q | 29 | Very low | 30.8 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | cis | -165.4 | 178.6 | -6.1 | -121.6 | 167.2 | -2.9 | 0 | 0 | 109.5 | | |
| 376 | V | 30.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | | | trans | 57.1 | 97.3 | 143.2 | 166.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 377 | T | 27.7 | Very low | 30.5 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | | | | 52.9 | 135.9 | 96 | 69.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 378 | T | 34 | Very low | 30.6 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | | | cis | -157.7 | 166.2 | 40.5 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 379 | N | 30.5 | Very low | 30.9 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | | | trans | -64 | 151.2 | 157.4 | -61.3 | -30 | 0 | 0 | 0 | 110.1 | | |
| 380 | P | 37.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | | | | -133.1 | 158.1 | 75 | 39.7 | -26.8 | 0 | 0 | 0 | 112.8 | | |
| 381 | C | 26.4 | Very low | 31.2 | Very low | 101 Ų | 101 | 128 Ų | 128 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | | | cis | 82.7 | 121.8 | 29.3 | -155.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 382 | M | 29.1 | Very low | 31.1 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | | | trans | 72.1 | 153.1 | 167.6 | -49.1 | -114.4 | 93.3 | 0 | 0 | 114.3 | | |
| 383 | I | 30.9 | Very low | 31.3 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 60% | 0.6 | 70% | 0.7 | S | S | * | * | | | cis | -161.8 | 172.6 | -2.9 | -131 | 173.4 | 0 | 0 | 0 | 112.4 | | |
| 384 | Q | 31.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | | | trans | 70.7 | 118.5 | 156.5 | -93.5 | 150.2 | -2.5 | 0 | 0 | 122.6 | | |
| 385 | H | 32.7 | Very low | 31.6 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | | | | 69.5 | 154.3 | 125 | -74.1 | -139.4 | 0 | 0 | 0 | 119.4 | | |
| 386 | D | 33.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | | | cis | -147 | 173.1 | 2.4 | -130.8 | -30.3 | 0 | 0 | 0 | 114.8 | | |
| 387 | M | 33 | Very low | 32.1 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | | | trans | -6.8 | 153.8 | 144.2 | -73.7 | -176 | 176.3 | 0 | 0 | 118.9 | | |
| 388 | Q | 33.6 | Very low | 32.6 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | | | cis | -172.1 | -175.5 | 15.7 | -126 | 164.1 | 4 | 0 | 0 | 112.5 | | |
| 389 | H | 35.2 | Very low | 32.7 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | | | trans | 42.4 | 109.5 | 148 | -65.8 | -52.1 | 0 | 0 | 0 | 120.1 | | |
| 390 | S | 29.8 | Very low | 33 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | | | | 97.5 | 165.7 | 56.3 | 71.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 391 | T | 33.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | | | trans | 62.8 | 91 | 155.4 | 40.9 | 0 | 0 | 0 | 0 | 120 | | |
| 392 | S | 30 | Very low | 33.7 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | | | | 61 | 143.6 | 115.6 | 66.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 393 | A | 33.7 | Very low | 34.2 | Very low | 78 Ų | 78 | 119.9 Ų | 119.9 | 65% | 0.645 | 70% | 0.698 | S | S | * | * | | | trans | 87.5 | 110.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 394 | N | 29.3 | Very low | 34.6 | Very low | 136 Ų | 136 | 119 Ų | 119 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | trans | 67.5 | 158 | 130 | -57.5 | -10.5 | 0 | 0 | 0 | 121.2 | | |
| 395 | Y | 32.8 | Very low | 35 | Very low | 214 Ų | 214 | 117.3 Ų | 117.3 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | | | trans | 67.3 | 148.1 | 171.7 | -59.4 | -87.4 | 0 | 0 | 0 | 117.2 | | |
| 396 | S | 32.9 | Very low | 35.3 | Very low | 88 Ų | 88 | 115.3 Ų | 115.3 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | | | cis | -167.4 | 161.7 | -34.1 | 50.8 | 0 | 0 | 0 | 0 | 110 | | |
| 397 | S | 37.8 | Very low | 35.5 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | | | trans | 50 | 123.2 | 143.2 | 61.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 398 | S | 38.2 | Very low | 35.7 | Very low | 106 Ų | 106 | 115.4 Ų | 115.4 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | | | | 168.2 | 156.5 | 98.5 | -74 | 0 | 0 | 0 | 0 | 114.3 | | |
| 399 | C | 34.9 | Very low | 36 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | | | trans | 65.9 | 117.4 | 160.8 | -64.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 400 | S | 37.6 | Very low | 36.1 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | | | | 91.6 | 127 | 54.2 | -75.6 | 0 | 0 | 0 | 0 | 112 | | |
| 401 | S | 39.3 | Very low | 36.4 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | | | cis | -151.6 | -158.3 | -3.6 | -68.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 402 | S | 39.5 | Very low | 36.5 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | | | cis | -168 | 160.9 | 6.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 403 | S | 39.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | trans | 58.1 | 137.6 | 155.3 | 50.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 404 | S | 39 | Very low | 36.6 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | | | cis | -172 | 150 | -5.1 | 43.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 405 | S | 39.3 | Very low | 36.7 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | | | trans | 59.6 | 148.1 | 155.5 | 49.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 406 | S | 39.1 | Very low | 36.6 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | | | cis | -177.3 | 152.7 | -7.6 | 44.9 | 0 | 0 | 0 | 0 | 109 | | |
| 407 | S | 38.5 | Very low | 36.3 | Very low | 92 Ų | 92 | 128 Ų | 128 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | | | cis | -175.2 | 130.9 | -15.2 | 48.2 | 0 | 0 | 0 | 0 | 111 | | |
| 408 | E | 36.5 | Very low | 35.7 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | trans | 69.6 | 159 | 148.7 | -62.5 | -169 | 97.3 | 0 | 0 | 119.5 | | |
| 409 | H | 39.7 | Very low | 35.6 | Very low | 133 Ų | 133 | 134 Ų | 134 | 62% | 0.616 | 74% | 0.739 | S | S | * | * | | | cis | -153.5 | 148.8 | 19.2 | -140.5 | 45 | 0 | 0 | 0 | 111.4 | | |
| 410 | Q | 36.8 | Very low | 35.8 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 57% | 0.565 | 74% | 0.736 | S | S | * | * | | | trans | 38.2 | 145.1 | 140.8 | -59.3 | -172.9 | 51.5 | 0 | 0 | 122 | | |
| 411 | K | 36.1 | Very low | 35.4 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | | | cis | -168 | 143.1 | 10.4 | -127.2 | 171.7 | -176.6 | 148.4 | 0 | 112.9 | | |
| 412 | Q | 35.2 | Very low | 34.9 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | | | trans | 55.1 | 137.2 | 136.2 | -80.4 | 173.2 | -19.6 | 0 | 0 | 124.9 | | |
| 413 | Q | 36 | Very low | 34.5 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | trans | 101.3 | 107.6 | 143.3 | -77.9 | 176.7 | 62.1 | 0 | 0 | 122.7 | | |
| 414 | Q | 31.5 | Very low | 33.9 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | | | trans | 75.5 | 144.6 | 143.8 | -61.4 | -166.7 | 9.5 | 0 | 0 | 120.7 | | |
| 415 | P | 29.7 | Very low | 33.3 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | trans | -95 | 126.3 | -174.3 | 35.8 | -31.1 | 0 | 0 | 0 | 112.3 | | |
| 416 | N | 30.9 | Very low | 32.7 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | | | trans | -150.8 | 161.9 | 167 | -99.4 | -51.2 | 0 | 0 | 0 | 112.1 | C418 | N416-C418 PolarHBondContact O-N 3.15Š|
| 417 | Y | 26.5 | Very low | 32.2 | Very low | 224 Ų | 224 | 143.5 Ų | 143.5 | 88% | 0.878 | 73% | 0.732 | S | S | * | * | | | trans | -66 | 126.3 | -179 | -73.3 | -104.5 | 0 | 0 | 0 | 111.6 | | |
| 418 | C | 27.1 | Very low | 32 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | | | trans | -110.8 | 89.7 | 168.9 | -70.9 | 0 | 0 | 0 | 0 | 111.2 | N416 | N416-C418 PolarHBondContact O-N 3.15Š|
| 419 | Y | 34.5 | Very low | 31.7 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | | | trans | -74.7 | 131.4 | 141.8 | -100 | -89.5 | 0 | 0 | 0 | 107.9 | | |
| 420 | P | 40.3 | Very low | 31.1 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | -83.8 | 121.6 | 139.7 | 29.5 | -22 | 0 | 0 | 0 | 107.2 | | |
| 421 | Q | 29 | Very low | 30.6 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | cis | 55.6 | 130.7 | 41.8 | -61.5 | -163.4 | -81.2 | 0 | 0 | 113.5 | | |
| 422 | T | 27.5 | Very low | 30.2 | Very low | 88 Ų | 88 | 142.7 Ų | 142.7 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | | | cis | 179.1 | 130.5 | -28.6 | 18 | 0 | 0 | 0 | 0 | 105.1 | I424 | T422-I424 HydrophobicContact CG2-CD1 4.19Å; T422-I424 HydrophobicContact CG2-CG1 4.23Å |
| 423 | D | 31.8 | Very low | 29.8 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | | | trans | -148.2 | 108.8 | 146 | -83.1 | -48.3 | 0 | 0 | 0 | 104.7 | | |
| 424 | I | 26.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | | | cis | 67.9 | 132.8 | 47.9 | -52 | 175.8 | 0 | 0 | 0 | 111 | T422 | T422-I424 HydrophobicContact CG2-CD1 4.19Å; T422-I424 HydrophobicContact CG2-CG1 4.23Å |
| 425 | A | 27.7 | Very low | 29.3 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | | | trans | 68.4 | 148.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 426 | S | 26.7 | Very low | 29 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | cis | -170.3 | 149.5 | -20.2 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 427 | Y | 27.3 | Very low | 28.8 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 87% | 0.871 | 75% | 0.754 | S | S | * | * | | | trans | 67.8 | 130.7 | 144.5 | -87.7 | -123.8 | 0 | 0 | 0 | 120.7 | | |
| 428 | L | 34.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | trans | -51.5 | 142.8 | 146.7 | -73.5 | 153.2 | 0 | 0 | 0 | 110.1 | | |
| 429 | P | 30.5 | Very low | 29 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | | | | -130.6 | 160.2 | 74.1 | 38.3 | -24.8 | 0 | 0 | 0 | 112.1 | | |
| 430 | S | 27.7 | Very low | 28.6 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | | | cis | 67.9 | 134.8 | 47.5 | -46 | 0 | 0 | 0 | 0 | 114 | | |
| 431 | Q | 26.1 | Very low | 28.2 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | | | trans | 76.1 | 119.1 | 158.7 | -65.8 | -177 | -9.8 | 0 | 0 | 121.6 | | |
| 432 | I | 26.8 | Very low | 28.1 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | | | | 60.8 | 105.8 | 121.8 | -54.6 | 165 | 0 | 0 | 0 | 118.3 | | |
| 433 | N | 26.5 | Very low | 28.3 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | | | | -179.4 | 122.6 | 119.1 | -87.6 | -43.7 | 0 | 0 | 0 | 106.6 | | |
| 434 | S | 26.9 | Very low | 28.4 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | | | cis | 63.8 | 90 | 42.8 | -160.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 435 | I | 30.5 | Very low | 28.4 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 86% | 0.862 | 73% | 0.727 | S | S | * | * | | | trans | -134.5 | 127.6 | 151.1 | -83.2 | 167.2 | 0 | 0 | 0 | 106.1 | | |
| 436 | E | 24.2 | Very low | 28.6 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | trans | -81.9 | 160.3 | 177.1 | -57.1 | 130.1 | 100.7 | 0 | 0 | 111.6 | | |
| 437 | C | 26.4 | Very low | 29 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 91% | 0.905 | 73% | 0.729 | S | S | * | * | | | trans | -163.2 | 82.5 | 131 | -115.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 438 | S | 26 | Very low | 29 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | | | trans | -14 | 141.8 | 150 | -52.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 439 | H | 30.9 | Very low | 28.8 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | | | | -175.8 | 128.6 | 107.9 | -109.5 | -123.1 | 0 | 0 | 0 | 114.5 | | |
| 440 | K | 27.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | | | trans | 26.3 | 134.6 | 146 | -43.5 | 179.4 | -177.2 | -179.3 | 0 | 119.3 | | |
| 441 | Y | 30.1 | Very low | 29.2 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | cis | -146.9 | 141 | 40.2 | -91.9 | -99.8 | 0 | 0 | 0 | 110.5 | | |
| 442 | Q | 28.2 | Very low | 29.4 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 64% | 0.64 | 73% | 0.73 | S | S | * | * | | | | 55.9 | 116.7 | 76.6 | -103.8 | 175.2 | -27.7 | 0 | 0 | 112.7 | | |
| 443 | H | 32.1 | Very low | 29.5 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 63% | 0.634 | 73% | 0.727 | S | S | * | * | | | cis | -157.3 | 159.3 | 43.8 | -107.9 | -82.8 | 0 | 0 | 0 | 115.4 | | |
| 444 | N | 32.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | | | trans | 58.1 | 117.1 | 155 | -55.4 | -7.9 | 0 | 0 | 0 | 119.1 | | |
| 445 | L | 28.2 | Very low | 30.1 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | | | cis | 89 | 143.1 | 48 | -85.5 | 83 | 0 | 0 | 0 | 114.9 | | |
| 446 | A | 31.5 | Very low | 30.3 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | | | trans | 69.6 | 131.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 447 | D | 34.2 | Very low | 30.8 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | cis | -145 | 118.5 | -8.6 | -93.4 | -37 | 0 | 0 | 0 | 114 | | |
| 448 | I | 28.2 | Very low | 31.2 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | | | | 35.5 | 116.3 | 118.7 | -55.5 | -177.3 | 0 | 0 | 0 | 119.4 | | |
| 449 | T | 30.3 | Very low | 31.5 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | | | trans | 71.5 | 117.7 | 154.2 | 55.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 450 | S | 33.1 | Very low | 31.5 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | | | | 42.2 | 135.3 | 112.7 | -120.8 | 0 | 0 | 0 | 0 | 120 | | |
| 451 | P | 33 | Very low | 31.7 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | | | | -135.3 | 140.2 | 66.5 | 37.6 | -24.4 | 0 | 0 | 0 | 117.2 | H453 | P451-H453 VanDerWaalsContact C-N 3.31Å; P451-H453 HydrophobicContact CB-CB 4.49Å; P451-H453 PolarHBondContact O-N 2.67Å |
| 452 | H | 29.9 | Very low | 31.8 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | | | trans | -69.4 | 71.8 | 171.5 | -179.5 | -73 | 0 | 0 | 0 | 111.8 | | |
| 453 | H | 30.6 | Very low | 31.8 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 61% | 0.611 | 71% | 0.714 | S | S | * | * | | | trans | -146.6 | 8.9 | -167.9 | -124.8 | 56.4 | 0 | 0 | 0 | 120.6 | P451 | P451-H453 VanDerWaalsContact C-N 3.31Å; P451-H453 HydrophobicContact CB-CB 4.49Å; P451-H453 PolarHBondContact O-N 2.67Å |
| 454 | Q | 32.5 | Very low | 31.6 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115.9 | -22.2 | 177 | -74.3 | -173.4 | -12.3 | 0 | 0 | 116.1 | Q456 Q457 | Q454-Q456 PolarHBondContact O-N 3.42Å; Q454-Q457 WeakPolarHBondContact O-CB 3.38Å; Q454-Q457 PolarHBondContact O-N 3.41Å |
| 455 | E | 33.7 | Very low | 31.6 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -10.1 | -178.3 | -140.8 | -163.8 | 123.1 | 0 | 0 | 114.7 | R459 | E455-R459 IonicContact OE1-NH2 3.36Š|
| 456 | Q | 33.5 | Very low | 31.8 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -27.1 | 165.3 | -78.6 | -175.1 | -23.9 | 0 | 0 | 112.7 | Q454 R459 | Q454-Q456 PolarHBondContact O-N 3.42Å; Q456-R459 PolarHBondContact O-N 2.75Å |
| 457 | Q | 35.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 51% | 0.505 | 73% | 0.728 | S | S | . | * | G | 310 helix | trans | -75 | -31.1 | -172.2 | -61.9 | -170.4 | -2.5 | 0 | 0 | 112.9 | Q454 R459 Q460 | Q454-Q457 WeakPolarHBondContact O-CB 3.38Å; Q454-Q457 PolarHBondContact O-N 3.41Å; Q457-R459 VanDerWaalsContact C-N 3.31Å; Q457-R459 PolarHBondContact O-N 3.39Å; Q457-Q460 PolarHBondContact O-N 3.33Å |
| 458 | H | 34.1 | Very low | 31.9 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -79.2 | -11.5 | 175.6 | -143 | 82.1 | 0 | 0 | 0 | 113.9 | | |
| 459 | R | 32.3 | Very low | 32.3 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -84.8 | -7.2 | 167.6 | -111.5 | 177.1 | -79.6 | -144.5 | -3.9 | 113.6 | E455 Q456 Q457 | E455-R459 IonicContact OE1-NH2 3.36Å; Q456-R459 PolarHBondContact O-N 2.75Å; Q457-R459 VanDerWaalsContact C-N 3.31Å; Q457-R459 PolarHBondContact O-N 3.39Å |
| 460 | Q | 31.6 | Very low | 32.5 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -20.6 | 176.5 | -70.4 | 179.2 | -17.3 | 0 | 0 | 114 | Q457 K462 L463 | Q457-Q460 PolarHBondContact O-N 3.33Å; Q460-K462 PolarHBondContact O-N 3.49Å; Q460-K462 VanDerWaalsContact O-N 3.15Å; Q460-L463 PolarHBondContact O-N 3.48Å |
| 461 | K | 31.6 | Very low | 33.1 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 12.4 | -179.4 | -74.6 | -169.7 | 174.4 | -177.8 | 0 | 116 | | |
| 462 | K | 33 | Very low | 33.7 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 87% | 0.87 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 26.3 | 169.4 | -147.4 | 168 | -172.3 | 171.1 | 0 | 113.2 | Q460 | Q460-K462 PolarHBondContact O-N 3.49Å; Q460-K462 VanDerWaalsContact O-N 3.15Å |
| 463 | L | 27.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | | | trans | -110.7 | 25.9 | 179.3 | -87.7 | 166.9 | 0 | 0 | 0 | 114.6 | Q460 I465 | Q460-L463 PolarHBondContact O-N 3.48Å; L463-I465 HydrophobicContact CD2-CD1 3.88Å; L463-I465 HydrophobicContact CD2-CG1 4.21Å; L463-I465 PolarHBondContact O-N 3.33Å |
| 464 | F | 28.2 | Very low | 35.3 | Very low | 210 Ų | 210 | 138.4 Ų | 138.4 | 92% | 0.921 | 68% | 0.678 | S | S | * | * | | | trans | -75.8 | 72.9 | 156.5 | -97.4 | -83.7 | 0 | 0 | 0 | 110 | H466 | F464-H466 PolarHBondContact O-N 3.38Š|
| 465 | I | 31.1 | Very low | 35.9 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | | | trans | -64.8 | 121.9 | 163.2 | -65.1 | 173.9 | 0 | 0 | 0 | 106.5 | L463 L467 | L463-I465 HydrophobicContact CD2-CD1 3.88Å; L463-I465 HydrophobicContact CD2-CG1 4.21Å; L463-I465 PolarHBondContact O-N 3.33Å; I465-L467 PolarHBondContact O-N 2.82Å |
| 466 | H | 31.8 | Very low | 36.2 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.856 | 69% | 0.689 | S | S | * | * | | | trans | -52.4 | 115.5 | 168.1 | -115.3 | -80.3 | 0 | 0 | 0 | 108.5 | F464 P468 | F464-H466 PolarHBondContact O-N 3.38Å; H466-P468 WeakPolarHBondContact O-CD 3.35Å |
| 467 | L | 33.3 | Very low | 36.9 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 124.5 | 177.3 | -94 | 69 | 0 | 0 | 0 | 108.5 | I465 T469 | I465-L467 PolarHBondContact O-N 2.82Å; L467-T469 PolarHBondContact O-N 2.91Å |
| 468 | P | 36.6 | Very low | 38.2 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 58% | 0.584 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -65 | 126.1 | 175.3 | 26.9 | -32.9 | 0 | 0 | 0 | 108.4 | H466 T473 | H466-P468 WeakPolarHBondContact O-CD 3.35Å; P468-T473 HydrophobicContact CG-CG2 4.48Å |
| 469 | T | 36.3 | Very low | 39.6 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 138.4 | 175.8 | 48.6 | 0 | 0 | 0 | 0 | 110 | L467 T471 | L467-T469 PolarHBondContact O-N 2.91Å; T469-T471 VanDerWaalsContact C-N 3.28Å; T469-T471 PolarHBondContact O-N 3.16Å; T469-T471 PolarHBondContact O-OG1 2.72Å |
| 470 | P | 34.1 | Very low | 41 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 76.9 | -170.2 | 29 | -35.8 | 0 | 0 | 0 | 112.6 | | |
| 471 | T | 44.4 | Very low | 42.4 | Very low | 84 Ų | 84 | 132.9 Ų | 132.9 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -139.1 | -23.6 | 179.3 | 35 | 0 | 0 | 0 | 0 | 114.5 | T469 | T469-T471 VanDerWaalsContact C-N 3.28Å; T469-T471 PolarHBondContact O-N 3.16Å; T469-T471 PolarHBondContact O-OG1 2.72Å |
| 472 | E | 46.1 | Very low | 43.6 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -120.5 | -24.5 | -173.4 | -59 | -159.3 | 132.5 | 0 | 0 | 115.4 | V474 | E472-V474 VanDerWaalsContact C-N 3.32Å; E472-V474 PolarHBondContact O-N 3.24Å |
| 473 | T | 45.8 | Very low | 45.1 | Very low | 78 Ų | 78 | 122.1 Ų | 122.1 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -72.7 | -17.2 | -177.7 | 32.5 | 0 | 0 | 0 | 0 | 114.9 | P468 K475 | P468-T473 HydrophobicContact CG-CG2 4.48Å; T473-K475 PolarHBondContact O-N 3.39Å |
| 474 | V | 47.9 | Very low | 47 | Very low | 70 Ų | 70 | 119.9 Ų | 119.9 | 42% | 0.424 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -60.1 | -20.6 | -175.3 | -175.4 | 0 | 0 | 0 | 0 | 113.2 | E472 W476 M482 | E472-V474 VanDerWaalsContact C-N 3.32Å; E472-V474 PolarHBondContact O-N 3.24Å; V474-W476 VanDerWaalsContact C-N 3.25Å; V474-W476 PolarHBondContact O-N 2.81Å; V474-M482 HydrophobicContact CG1-CE 3.61Å; V474-M482 HydrophobicContact CG1-SD 4.23Å |
| 475 | K | 46.5 | Very low | 48.5 | Very low | 183 Ų | 183 | 113.6 Ų | 113.6 | 80% | 0.796 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -72 | -8.4 | -171.4 | -152.5 | 165.7 | -169.6 | 164.9 | 0 | 115.8 | T473 | T473-K475 PolarHBondContact O-N 3.39Š|
| 476 | W | 39.7 | Very low | 50.1 | Low | 236 Ų | 236 | 112.2 Ų | 112.2 | 89% | 0.894 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -133.5 | 5 | -176.7 | -62.4 | 98.8 | 0 | 0 | 0 | 114.4 | V474 | V474-W476 VanDerWaalsContact C-N 3.25Å; V474-W476 PolarHBondContact O-N 2.81Å |
| 477 | M | 47.9 | Very low | 52.1 | Low | 59 Ų | 59 | 109 Ų | 109 | 29% | 0.291 | 56% | 0.562 | S | S | . | * | | | trans | -78.7 | 129.3 | -179.2 | -68 | -178.4 | 69.7 | 0 | 0 | 111.6 | L481 N485 | M477-L481 HydrophobicContact CE-CB 3.7Å; M477-L481 WeakPolarHBondContact CE-O 3.26Å; M477-N485 HydrophobicContact CE-CB 4.32Å |
| 478 | P | 63 | Low | 53.9 | Low | 73 Ų | 73 | 107.2 Ų | 107.2 | 47% | 0.474 | 55% | 0.55 | S | S | . | . | | | trans | -54.9 | 143.5 | 165.1 | -26 | 34.4 | 0 | 0 | 0 | 112 | H480 L481 M482 | P478-H480 VanDerWaalsContact C-N 3.26Å; P478-H480 PolarHBondContact O-N 2.97Å; P478-L481 PolarHBondContact O-N 2.84Å; P478-M482 PolarHBondContact O-N 2.98Å |
| 479 | K | 63.1 | Low | 55.7 | Low | 187 Ų | 187 | 107.8 Ų | 107.8 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -49.3 | -40.8 | -173.8 | -72.6 | -172.7 | 175.5 | -175.5 | 0 | 114.1 | L481 M482 T483 | K479-L481 PolarHBondContact O-N 2.81Å; K479-M482 VanDerWaalsContact O-CB 3.31Å; K479-M482 WeakPolarHBondContact O-CB 3.15Å; K479-M482 PolarHBondContact O-N 2.77Å; K479-M482 VanDerWaalsContact O-N 3.15Å; K479-T483 PolarHBondContact O-N 2.98Å; K479-T483 VanDerWaalsContact O-N 3.08Å; K479-T483 PolarHBondContact O-OG1 3.35Å |
| 480 | H | 62.4 | Low | 57.6 | Low | 120 Ų | 120 | 108.5 Ų | 108.5 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.3 | -38.6 | -178.5 | 81.5 | -94.3 | 0 | 0 | 0 | 113.2 | P478 M482 T483 I484 | P478-H480 VanDerWaalsContact C-N 3.26Å; P478-H480 PolarHBondContact O-N 2.97Å; H480-M482 VanDerWaalsContact C-N 3.28Å; H480-M482 PolarHBondContact O-N 3.32Å; H480-T483 PolarHBondContact O-N 2.96Å; H480-I484 WeakPolarHBondContact O-CG1 3.48Å; H480-I484 PolarHBondContact O-N 3.23Å |
| 481 | L | 60.8 | Low | 59.6 | Low | 74 Ų | 74 | 109.4 Ų | 109.4 | 39% | 0.387 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.4 | -28.8 | 174.7 | -69.9 | 176.8 | 0 | 0 | 0 | 111.7 | M477 P478 K479 I484 N485 | M477-L481 HydrophobicContact CE-CB 3.7Å; M477-L481 WeakPolarHBondContact CE-O 3.26Å; P478-L481 PolarHBondContact O-N 2.84Å; K479-L481 PolarHBondContact O-N 2.81Å; L481-I484 HydrophobicContact CD2-CD1 4.37Å; L481-N485 VanDerWaalsContact O-CB 3.27Å; L481-N485 WeakPolarHBondContact O-CB 3.27Å; L481-N485 PolarHBondContact O-N 2.82Å |
| 482 | M | 55.6 | Low | 61.2 | Low | 80 Ų | 80 | 111 Ų | 111 | 39% | 0.394 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 172.8 | -161.9 | 167.3 | 175.8 | 0 | 0 | 110.7 | V474 P478 K479 H480 N485 T486 | V474-M482 HydrophobicContact CG1-CE 3.61Å; V474-M482 HydrophobicContact CG1-SD 4.23Å; P478-M482 PolarHBondContact O-N 2.98Å; K479-M482 VanDerWaalsContact O-CB 3.31Å; K479-M482 WeakPolarHBondContact O-CB 3.15Å; K479-M482 PolarHBondContact O-N 2.77Å; K479-M482 VanDerWaalsContact O-N 3.15Å; H480-M482 VanDerWaalsContact C-N 3.28Å; H480-M482 PolarHBondContact O-N 3.32Å; M482-N485 PolarHBondContact O-N 3.31Å; M482-T486 PolarHBondContact O-N 2.89Å; M482-T486 PolarHBondContact O-OG1 3.12Å; M482-T486 VanDerWaalsContact O-OG1 3.11Å |
| 483 | T | 65.7 | Low | 62.6 | Low | 74 Ų | 74 | 106.9 Ų | 106.9 | 45% | 0.454 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 174.1 | -50 | 0 | 0 | 0 | 0 | 112.5 | K479 H480 N485 T486 Q487 | K479-T483 PolarHBondContact O-N 2.98Å; K479-T483 VanDerWaalsContact O-N 3.08Å; K479-T483 PolarHBondContact O-OG1 3.35Å; H480-T483 PolarHBondContact O-N 2.96Å; T483-N485 VanDerWaalsContact C-N 3.34Å; T483-N485 PolarHBondContact O-N 3.36Å; T483-T486 WeakPolarHBondContact CA-OG1 3.49Å; T483-T486 PolarHBondContact O-N 3.15Å; T483-T486 PolarHBondContact O-OG1 3.43Å; T483-Q487 WeakPolarHBondContact O-CG 3.47Å; T483-Q487 PolarHBondContact O-N 3.3Å |
| 484 | I | 66.8 | Low | 64.1 | Low | 69 Ų | 69 | 110.5 Ų | 110.5 | 35% | 0.354 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.9 | -68.5 | 164.8 | 0 | 0 | 0 | 110.7 | H480 L481 T486 Q487 Q488 | H480-I484 WeakPolarHBondContact O-CG1 3.48Å; H480-I484 PolarHBondContact O-N 3.23Å; L481-I484 HydrophobicContact CD2-CD1 4.37Å; I484-T486 PolarHBondContact O-N 3.16Å; I484-Q487 PolarHBondContact O-N 3.34Å; I484-Q488 WeakPolarHBondContact O-CG 3.43Å; I484-Q488 PolarHBondContact O-N 3.14Å |
| 485 | N | 58.7 | Low | 65.5 | Low | 78 Ų | 78 | 113 Ų | 113 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 179.9 | -159.2 | -2.2 | 0 | 0 | 0 | 111.7 | M477 L481 M482 T483 H489 | M477-N485 HydrophobicContact CE-CB 4.32Å; L481-N485 VanDerWaalsContact O-CB 3.27Å; L481-N485 WeakPolarHBondContact O-CB 3.27Å; L481-N485 PolarHBondContact O-N 2.82Å; M482-N485 PolarHBondContact O-N 3.31Å; T483-N485 VanDerWaalsContact C-N 3.34Å; T483-N485 PolarHBondContact O-N 3.36Å; N485-H489 WeakPolarHBondContact O-CB 3.43Å; N485-H489 PolarHBondContact O-N 2.94Å |
| 486 | T | 66.6 | Low | 66.9 | Low | 87 Ų | 87 | 109.3 Ų | 109.3 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 170.6 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | M482 T483 I484 H489 H490 | M482-T486 PolarHBondContact O-N 2.89Å; M482-T486 PolarHBondContact O-OG1 3.12Å; M482-T486 VanDerWaalsContact O-OG1 3.11Å; T483-T486 WeakPolarHBondContact CA-OG1 3.49Å; T483-T486 PolarHBondContact O-N 3.15Å; T483-T486 PolarHBondContact O-OG1 3.43Å; I484-T486 PolarHBondContact O-N 3.16Å; T486-H489 PolarHBondContact O-N 2.84Å; T486-H490 WeakPolarHBondContact O-CB 3.2Å; T486-H490 PolarHBondContact O-N 2.93Å |
| 487 | Q | 72.1 | Confident | 68.5 | Low | 118 Ų | 118 | 103.9 Ų | 103.9 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 175.6 | -76.3 | 175.8 | -23.2 | 0 | 0 | 111.6 | T483 I484 H490 Q491 | T483-Q487 WeakPolarHBondContact O-CG 3.47Å; T483-Q487 PolarHBondContact O-N 3.3Å; I484-Q487 PolarHBondContact O-N 3.34Å; Q487-H490 PolarHBondContact O-N 2.85Å; Q487-Q491 PolarHBondContact O-N 2.82Å |
| 488 | Q | 72.5 | Confident | 69.7 | Low | 113 Ų | 113 | 106.4 Ų | 106.4 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.4 | -73.2 | 177 | -23.5 | 0 | 0 | 111.7 | I484 H490 Q491 H492 | I484-Q488 WeakPolarHBondContact O-CG 3.43Å; I484-Q488 PolarHBondContact O-N 3.14Å; Q488-H490 VanDerWaalsContact C-N 3.34Å; Q488-H490 PolarHBondContact O-N 2.78Å; Q488-Q491 PolarHBondContact O-N 3.03Å; Q488-H492 PolarHBondContact O-N 3.47Å |
| 489 | H | 73.5 | Confident | 70.1 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 174.1 | -165 | -74.8 | 0 | 0 | 0 | 112.2 | N485 T486 H492 Q493 | N485-H489 WeakPolarHBondContact O-CB 3.43Å; N485-H489 PolarHBondContact O-N 2.94Å; T486-H489 PolarHBondContact O-N 2.84Å; H489-H492 PolarHBondContact O-N 3.44Å; H489-Q493 PolarHBondContact CE1-OE1 2.89Å; H489-Q493 VanDerWaalsContact ND1-CD 3.29Å; H489-Q493 PolarHBondContact ND1-OE1 3.3Å; H489-Q493 WeakPolarHBondContact O-CB 3.47Å; H489-Q493 WeakPolarHBondContact O-CG 3.23Å; H489-Q493 PolarHBondContact O-N 3.29Å |
| 490 | H | 76.6 | Confident | 70.2 | Confident | 120 Ų | 120 | 101.8 Ų | 101.8 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74 | -20.9 | 176.3 | -112.8 | 30.3 | 0 | 0 | 0 | 114.5 | T486 Q487 Q488 R494 | T486-H490 WeakPolarHBondContact O-CB 3.2Å; T486-H490 PolarHBondContact O-N 2.93Å; Q487-H490 PolarHBondContact O-N 2.85Å; Q488-H490 VanDerWaalsContact C-N 3.34Å; Q488-H490 PolarHBondContact O-N 2.78Å; H490-R494 PolarHBondContact O-N 2.78Å; H490-R494 PolarHBondContact O-NE 3.12Å |
| 491 | Q | 76.9 | Confident | 70.5 | Confident | 118 Ų | 118 | 101.3 Ų | 101.3 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -76.6 | -46.6 | 168 | -76.7 | 178.7 | -39.9 | 0 | 0 | 110.6 | Q487 Q488 R494 Q495 | Q487-Q491 PolarHBondContact O-N 2.82Å; Q488-Q491 PolarHBondContact O-N 3.03Å; Q491-R494 PolarHBondContact O-N 2.83Å; Q491-R494 VanDerWaalsContact O-N 3.16Å; Q491-Q495 PolarHBondContact O-N 3.26Å |
| 492 | H | 76.5 | Confident | 70.6 | Confident | 119 Ų | 119 | 102.7 Ų | 102.7 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -42 | -179.8 | -162.2 | 52.8 | 0 | 0 | 0 | 112.1 | Q488 H489 R494 Q495 Q496 | Q488-H492 PolarHBondContact O-N 3.47Å; H489-H492 PolarHBondContact O-N 3.44Å; H492-R494 VanDerWaalsContact C-N 3.3Å; H492-R494 PolarHBondContact O-N 3.28Å; H492-Q495 PolarHBondContact O-N 3.02Å; H492-Q496 WeakPolarHBondContact O-CB 3.43Å; H492-Q496 PolarHBondContact O-N 3.37Å |
| 493 | Q | 77 | Confident | 70.9 | Confident | 86 Ų | 86 | 104 Ų | 104 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -35.4 | 172.6 | -74.7 | -178.2 | -66.7 | 0 | 0 | 113.1 | H489 Q496 Q497 | H489-Q493 PolarHBondContact CE1-OE1 2.89Å; H489-Q493 VanDerWaalsContact ND1-CD 3.29Å; H489-Q493 PolarHBondContact ND1-OE1 3.3Å; H489-Q493 WeakPolarHBondContact O-CB 3.47Å; H489-Q493 WeakPolarHBondContact O-CG 3.23Å; H489-Q493 PolarHBondContact O-N 3.29Å; Q493-Q496 PolarHBondContact O-N 3.32Å; Q493-Q497 WeakPolarHBondContact O-CB 3.45Å; Q493-Q497 WeakPolarHBondContact O-CG 3.39Å; Q493-Q497 PolarHBondContact O-N 3.05Å |
| 494 | R | 76.8 | Confident | 70.4 | Confident | 153 Ų | 153 | 102.7 Ų | 102.7 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.3 | -37.8 | 174.7 | -86.2 | -172.1 | -74 | 178.3 | -5.4 | 112.7 | H490 Q491 H492 Q496 L498 | H490-R494 PolarHBondContact O-N 2.78Å; H490-R494 PolarHBondContact O-NE 3.12Å; Q491-R494 PolarHBondContact O-N 2.83Å; Q491-R494 VanDerWaalsContact O-N 3.16Å; H492-R494 VanDerWaalsContact C-N 3.3Å; H492-R494 PolarHBondContact O-N 3.28Å; R494-Q496 VanDerWaalsContact C-N 3.32Å; R494-L498 WeakPolarHBondContact O-CB 3.25Å; R494-L498 WeakPolarHBondContact O-CD1 3.44Å; R494-L498 VanDerWaalsContact O-CG 3.23Å; R494-L498 WeakPolarHBondContact O-CG 3.22Å; R494-L498 PolarHBondContact O-N 3.22Å |
| 495 | Q | 77.5 | Confident | 69.6 | Low | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -43.3 | 171.1 | -74.5 | 177.7 | -27.8 | 0 | 0 | 111.2 | Q491 H492 L498 T499 | Q491-Q495 PolarHBondContact O-N 3.26Å; H492-Q495 PolarHBondContact O-N 3.02Å; Q495-L498 WeakPolarHBondContact O-CB 3.45Å; Q495-L498 PolarHBondContact O-N 3.31Å; Q495-T499 PolarHBondContact O-N 3.36Å; Q495-T499 PolarHBondContact O-OG1 3.1Å |
| 496 | Q | 75.5 | Confident | 69.1 | Low | 107 Ų | 107 | 105.5 Ų | 105.5 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 179.2 | -160 | 159.5 | 28.1 | 0 | 0 | 111.9 | H492 Q493 R494 L498 T499 D500 | H492-Q496 WeakPolarHBondContact O-CB 3.43Å; H492-Q496 PolarHBondContact O-N 3.37Å; Q493-Q496 PolarHBondContact O-N 3.32Å; R494-Q496 VanDerWaalsContact C-N 3.32Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.49Å; Q496-T499 WeakPolarHBondContact CA-OG1 3.09Å; Q496-T499 PolarHBondContact O-N 3.13Å; Q496-T499 PolarHBondContact O-OG1 3.42Å; Q496-D500 WeakPolarHBondContact O-CB 3.47Å; Q496-D500 PolarHBondContact O-N 3.1Å |
| 497 | Q | 72.6 | Confident | 67.9 | Low | 122 Ų | 122 | 105.1 Ų | 105.1 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -33.5 | 171.3 | -75.9 | 178.7 | -23.5 | 0 | 0 | 113.2 | Q493 N501 | Q493-Q497 WeakPolarHBondContact O-CB 3.45Å; Q493-Q497 WeakPolarHBondContact O-CG 3.39Å; Q493-Q497 PolarHBondContact O-N 3.05Å; Q497-N501 VanDerWaalsContact O-CB 3.26Å; Q497-N501 WeakPolarHBondContact O-CB 3.23Å; Q497-N501 PolarHBondContact O-N 3.25Å; Q497-N501 PolarHBondContact O-ND2 3.16Å |
| 498 | L | 74.2 | Confident | 66.3 | Low | 111 Ų | 111 | 107.5 Ų | 107.5 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.8 | -40.3 | 174.9 | -74.8 | 165.7 | 0 | 0 | 0 | 111.8 | R494 Q495 Q496 L502 | R494-L498 WeakPolarHBondContact O-CB 3.25Å; R494-L498 WeakPolarHBondContact O-CD1 3.44Å; R494-L498 VanDerWaalsContact O-CG 3.23Å; R494-L498 WeakPolarHBondContact O-CG 3.22Å; R494-L498 PolarHBondContact O-N 3.22Å; Q495-L498 WeakPolarHBondContact O-CB 3.45Å; Q495-L498 PolarHBondContact O-N 3.31Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.49Å; L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 PolarHBondContact O-N 3.4Å |
| 499 | T | 70 | Confident | 64.8 | Low | 75 Ų | 75 | 106.9 Ų | 106.9 | 46% | 0.46 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 173.7 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | Q495 Q496 N501 L502 L503 | Q495-T499 PolarHBondContact O-N 3.36Å; Q495-T499 PolarHBondContact O-OG1 3.1Å; Q496-T499 WeakPolarHBondContact CA-OG1 3.09Å; Q496-T499 PolarHBondContact O-N 3.13Å; Q496-T499 PolarHBondContact O-OG1 3.42Å; T499-N501 VanDerWaalsContact C-N 3.35Å; T499-N501 PolarHBondContact O-N 3.1Å; T499-L502 PolarHBondContact O-N 3.07Å; T499-L503 WeakPolarHBondContact O-CB 3.34Å; T499-L503 WeakPolarHBondContact O-CG 3.42Å; T499-L503 PolarHBondContact O-N 3.29Å |
| 500 | D | 66.9 | Low | 63.1 | Low | 89 Ų | 89 | 107.1 Ų | 107.1 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.4 | -39 | 178 | -63.9 | -12.6 | 0 | 0 | 0 | 111 | Q496 A504 | Q496-D500 WeakPolarHBondContact O-CB 3.47Å; Q496-D500 PolarHBondContact O-N 3.1Å; D500-A504 VanDerWaalsContact O-CB 3.27Å; D500-A504 WeakPolarHBondContact O-CB 3.47Å; D500-A504 PolarHBondContact O-N 3.41Å |
| 501 | N | 67.7 | Low | 61.1 | Low | 110 Ų | 110 | 108.2 Ų | 108.2 | 59% | 0.588 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.1 | -35.6 | 174.5 | -74.6 | -28.7 | 0 | 0 | 0 | 113 | Q497 T499 A504 S505 | Q497-N501 VanDerWaalsContact O-CB 3.26Å; Q497-N501 WeakPolarHBondContact O-CB 3.23Å; Q497-N501 PolarHBondContact O-N 3.25Å; Q497-N501 PolarHBondContact O-ND2 3.16Å; T499-N501 VanDerWaalsContact C-N 3.35Å; T499-N501 PolarHBondContact O-N 3.1Å; N501-A504 PolarHBondContact O-N 3.09Å; N501-S505 WeakPolarHBondContact O-CB 3.43Å; N501-S505 PolarHBondContact O-N 3.4Å; N501-S505 PolarHBondContact O-OG 3.45Å |
| 502 | L | 63.9 | Low | 59.2 | Low | 102 Ų | 102 | 110.6 Ų | 110.6 | 53% | 0.534 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.4 | -51.3 | 173.2 | -88.9 | 159.4 | 0 | 0 | 0 | 110.6 | L498 T499 A504 S505 E506 | L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 PolarHBondContact O-N 3.4Å; T499-L502 PolarHBondContact O-N 3.07Å; L502-A504 VanDerWaalsContact C-N 3.29Å; L502-A504 PolarHBondContact O-N 3.07Å; L502-S505 PolarHBondContact O-N 3.14Å; L502-S505 PolarHBondContact O-OG 3.41Å; L502-E506 PolarHBondContact O-N 2.91Å |
| 503 | L | 60.1 | Low | 57.2 | Low | 108 Ų | 108 | 113.8 Ų | 113.8 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.4 | -40.2 | 175.7 | -73.2 | 163.7 | 0 | 0 | 0 | 112.1 | T499 S505 E506 S507 | T499-L503 WeakPolarHBondContact O-CB 3.34Å; T499-L503 WeakPolarHBondContact O-CG 3.42Å; T499-L503 PolarHBondContact O-N 3.29Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-S505 PolarHBondContact O-N 2.87Å; L503-E506 PolarHBondContact O-N 3.43Å; L503-S507 WeakPolarHBondContact O-CB 3.5Å; L503-S507 PolarHBondContact O-N 3.35Å; L503-S507 VanDerWaalsContact O-N 3.08Å; L503-S507 PolarHBondContact O-OG 2.99Å; L503-S507 VanDerWaalsContact O-OG 3.11Å |
| 504 | A | 55.3 | Low | 55.2 | Low | 47 Ų | 47 | 117.9 Ų | 117.9 | 39% | 0.388 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.5 | -33.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D500 N501 L502 S507 H508 | D500-A504 VanDerWaalsContact O-CB 3.27Å; D500-A504 WeakPolarHBondContact O-CB 3.47Å; D500-A504 PolarHBondContact O-N 3.41Å; N501-A504 PolarHBondContact O-N 3.09Å; L502-A504 VanDerWaalsContact C-N 3.29Å; L502-A504 PolarHBondContact O-N 3.07Å; A504-S507 WeakPolarHBondContact CA-OG 3.32Å; A504-S507 PolarHBondContact O-OG 2.78Å; A504-S507 VanDerWaalsContact O-OG 3.1Å; A504-H508 PolarHBondContact O-CD2 3.01Å; A504-H508 VanDerWaalsContact O-CD2 3.26Å |
| 505 | S | 49.8 | Very low | 52.9 | Low | 72 Ų | 72 | 114.2 Ų | 114.2 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.9 | -36.7 | 177.3 | 72.8 | 0 | 0 | 0 | 0 | 112.9 | N501 L502 L503 | N501-S505 WeakPolarHBondContact O-CB 3.43Å; N501-S505 PolarHBondContact O-N 3.4Å; N501-S505 PolarHBondContact O-OG 3.45Å; L502-S505 PolarHBondContact O-N 3.14Å; L502-S505 PolarHBondContact O-OG 3.41Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-S505 PolarHBondContact O-N 2.87Å |
| 506 | E | 48.3 | Very low | 50.9 | Low | 133 Ų | 133 | 116.5 Ų | 116.5 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.3 | -33.4 | 177.1 | -68.3 | -178.9 | 150.5 | 0 | 0 | 111.8 | L502 L503 H508 | L502-E506 PolarHBondContact O-N 2.91Å; L503-E506 PolarHBondContact O-N 3.43Å; E506-H508 PolarHBondContact O-N 2.76Å |
| 507 | S | 41.9 | Very low | 48.7 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -2.4 | 178.6 | 62.4 | 0 | 0 | 0 | 0 | 115.5 | L503 A504 | L503-S507 WeakPolarHBondContact O-CB 3.5Å; L503-S507 PolarHBondContact O-N 3.35Å; L503-S507 VanDerWaalsContact O-N 3.08Å; L503-S507 PolarHBondContact O-OG 2.99Å; L503-S507 VanDerWaalsContact O-OG 3.11Å; A504-S507 WeakPolarHBondContact CA-OG 3.32Å; A504-S507 PolarHBondContact O-OG 2.78Å; A504-S507 VanDerWaalsContact O-OG 3.1Å |
| 508 | H | 39.6 | Very low | 46.7 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 3.8 | -174.9 | -96.2 | -95.5 | 0 | 0 | 0 | 115.1 | A504 E506 | A504-H508 PolarHBondContact O-CD2 3.01Å; A504-H508 VanDerWaalsContact O-CD2 3.26Å; E506-H508 PolarHBondContact O-N 2.76Å |
| 509 | S | 39.4 | Very low | 44.8 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -114.2 | -4.2 | -179 | 63.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 510 | V | 38.4 | Very low | 43.1 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.655 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -128.3 | 163.8 | -179.2 | -172.4 | 0 | 0 | 0 | 0 | 109 | | |
| 511 | I | 35.7 | Very low | 41.6 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | | | trans | 71.2 | 60.2 | -175.8 | -39.8 | 175.7 | 0 | 0 | 0 | 112.9 | | |
| 512 | N | 35.7 | Very low | 40 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -120.4 | 47.8 | 154.2 | -152.3 | -6.6 | 0 | 0 | 0 | 110 | | |
| 513 | K | 36 | Very low | 38.6 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -172.8 | 155.2 | 177.7 | -104.4 | 164.6 | -176 | 176.3 | 0 | 107.4 | | |
| 514 | L | 34.1 | Very low | 37.5 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 90% | 0.901 | 74% | 0.738 | S | S | * | * | | | trans | 69.1 | 107.8 | -171.7 | -53.7 | 173.8 | 0 | 0 | 0 | 113.9 | | |
| 515 | G | 29.3 | Very low | 36.2 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | trans | -103.1 | 103.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 516 | M | 34.2 | Very low | 35.8 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 84% | 0.837 | 77% | 0.771 | S | S | * | * | | | trans | -147.4 | 135.9 | 163 | -89.1 | -73.2 | 95.5 | 0 | 0 | 107.8 | Y518 | M516-Y518 PolarHBondContact O-N 3.22Š|
| 517 | E | 29 | Very low | 35 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -79.7 | 121.1 | -173.6 | -62.3 | 179.5 | 125.1 | 0 | 0 | 111.2 | | |
| 518 | Y | 31.9 | Very low | 34.6 | Very low | 216 Ų | 216 | 148 Ų | 148 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | trans | -137.5 | 97.7 | 173.5 | -104.2 | -90.1 | 0 | 0 | 0 | 111 | M516 S520 | M516-Y518 PolarHBondContact O-N 3.22Å; Y518-S520 PolarHBondContact O-N 2.92Å |
| 519 | T | 34.2 | Very low | 34.5 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | trans | -89.6 | 93 | 172.7 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | Q521 | T519-Q521 PolarHBondContact O-N 3.29Å; T519-Q521 VanDerWaalsContact O-N 3.08Å |
| 520 | S | 33.8 | Very low | 34.3 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -78.1 | 85 | -177.7 | 42.3 | 0 | 0 | 0 | 0 | 113 | Y518 V522 | Y518-S520 PolarHBondContact O-N 2.92Å; S520-V522 PolarHBondContact O-N 2.97Å; S520-V522 VanDerWaalsContact O-N 3.15Å |
| 521 | Q | 35.6 | Very low | 34.3 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | -73.1 | 101.6 | 174.2 | -167.9 | 70.2 | 34.5 | 0 | 0 | 111.2 | T519 T523 | T519-Q521 PolarHBondContact O-N 3.29Å; T519-Q521 VanDerWaalsContact O-N 3.08Å; Q521-T523 PolarHBondContact O-N 3.33Å; Q521-T523 VanDerWaalsContact O-N 3.09Å |
| 522 | V | 33.9 | Very low | 35.3 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | | | trans | -70.7 | 103.7 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | S520 | S520-V522 PolarHBondContact O-N 2.97Å; S520-V522 VanDerWaalsContact O-N 3.15Å |
| 523 | T | 34.2 | Very low | 36.8 | Very low | 109 Ų | 109 | 150 Ų | 150 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | | | trans | -87.7 | 119 | 176.3 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | Q521 | Q521-T523 PolarHBondContact O-N 3.33Å; Q521-T523 VanDerWaalsContact O-N 3.09Å |
| 524 | I | 37.4 | Very low | 38.5 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 80% | 0.795 | 76% | 0.757 | S | S | * | * | | | trans | -86.3 | 117.1 | 167.5 | -63.4 | 175.8 | 0 | 0 | 0 | 108.3 | K526 | I524-K526 PolarHBondContact O-N 3.24Å; I524-K526 VanDerWaalsContact O-N 3.12Å |
| 525 | D | 28.4 | Very low | 40.8 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | -64.3 | 110.6 | -176.4 | -89.4 | -53.8 | 0 | 0 | 0 | 113.6 | | |
| 526 | K | 40.4 | Very low | 43.7 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | | | trans | -139.1 | 102.5 | 152.4 | -73.3 | -169.6 | 178.1 | 178.5 | 0 | 108.6 | I524 P528 | I524-K526 PolarHBondContact O-N 3.24Å; I524-K526 VanDerWaalsContact O-N 3.12Å; K526-P528 WeakPolarHBondContact O-CD 3.33Å |
| 527 | Q | 31.6 | Very low | 46.2 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | | | trans | -56.2 | 121.3 | 177.2 | -67.6 | 176.3 | -22.1 | 0 | 0 | 111.1 | L529 | Q527-L529 PolarHBondContact O-N 2.88Š|
| 528 | P | 34 | Very low | 48.8 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | | | trans | -79.4 | 105.6 | 165.2 | 31.1 | -29.2 | 0 | 0 | 0 | 108.6 | K526 L530 | K526-P528 WeakPolarHBondContact O-CD 3.33Å; P528-L530 PolarHBondContact O-N 3.38Å |
| 529 | L | 37.2 | Very low | 51.7 | Low | 150 Ų | 150 | 121 Ų | 121 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | | | trans | -62.4 | 129.5 | 165.9 | -87.3 | 74.2 | 0 | 0 | 0 | 108.8 | Q527 | Q527-L529 PolarHBondContact O-N 2.88Š|
| 530 | L | 34.8 | Very low | 54.2 | Low | 160 Ų | 160 | 115.9 Ų | 115.9 | 84% | 0.838 | 62% | 0.621 | S | S | * | * | | | trans | 20.1 | 98.6 | 174.7 | -71.1 | 101.8 | 0 | 0 | 0 | 115.6 | P528 E532 | P528-L530 PolarHBondContact O-N 3.38Å; L530-E532 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 3.08Å |
| 531 | H | 39.7 | Very low | 56.7 | Low | 161 Ų | 161 | 113.8 Ų | 113.8 | 75% | 0.745 | 60% | 0.604 | S | S | * | * | | | trans | -72.5 | 86.2 | 173.4 | -159.3 | -47.5 | 0 | 0 | 0 | 110.5 | T533 | H531-T533 PolarHBondContact O-N 3.42Š|
| 532 | E | 55.7 | Low | 59 | Low | 170 Ų | 170 | 108.3 Ų | 108.3 | 79% | 0.794 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 133 | 162.9 | -67.4 | 179.1 | 161.4 | 0 | 0 | 108.6 | L530 | L530-E532 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 3.08Å |
| 533 | T | 67.7 | Low | 61.2 | Low | 87 Ų | 87 | 104.5 Ų | 104.5 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 128.1 | 175.3 | 35.3 | 0 | 0 | 0 | 0 | 108.3 | H531 Q535 V542 | H531-T533 PolarHBondContact O-N 3.42Å; T533-Q535 PolarHBondContact O-N 3.12Å; T533-Q535 VanDerWaalsContact O-N 3.1Å; T533-V542 WeakPolarHBondContact OG1-CG1 3.32Å |
| 534 | P | 72.5 | Confident | 62.9 | Low | 39 Ų | 39 | 106.2 Ų | 106.2 | 25% | 0.253 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 123.2 | -171.6 | 20.4 | -29.8 | 0 | 0 | 0 | 110.2 | N543 W549 Y558 | P534-N543 HydrophobicContact CG-CB 3.89Å; P534-N543 PolarHBondContact O-N 2.75Å; P534-W549 WeakPolarHBondContact O-CH2 3.39Å; P534-Y558 HydrophobicContact CB-CD2 4.17Å; P534-Y558 HydrophobicContact CB-CG 4.3Å |
| 535 | Q | 82 | Confident | 64.2 | Low | 111 Ų | 111 | 105.1 Ų | 105.1 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | B | Isolated β-bridge | trans | -102.7 | 140.6 | -179.4 | -166.8 | -178.2 | 31.2 | 0 | 0 | 110 | T533 V537 G540 T541 V542 W549 | T533-Q535 PolarHBondContact O-N 3.12Å; T533-Q535 VanDerWaalsContact O-N 3.1Å; Q535-V537 PolarHBondContact O-N 3.24Å; Q535-G540 VanDerWaalsContact CG-O 3.27Å; Q535-G540 WeakPolarHBondContact CG-O 3.46Å; Q535-G540 PolarHBondContact NE2-O 2.77Å; Q535-T541 CarbonylContact C-O 3.6Å; Q535-T541 WeakPolarHBondContact CA-O 2.86Å; Q535-V542 HydrophobicContact CB-CG2 4.49Å; Q535-V542 HydrophobicContact CG-CG2 4.07Å; Q535-W549 VanDerWaalsContact C-CZ3 3.49Å |
| 536 | C | 90.1 | Very high | 65.6 | Low | 2 Ų | 2 | 106.7 Ų | 106.7 | 1% | 0.014 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -75.5 | 117.1 | 179.8 | -180 | 0 | 0 | 0 | 0 | 109.2 | Q538 C539 G540 T541 W549 Y558 C560 | C536-Q538 PolarHBondContact O-N 2.98Å; C536-C539 VanDerWaalsContact CB-SG 3.59Å; C536-C539 PolarHBondContact O-N 2.63Å; C536-C539 VanDerWaalsContact SG-SG 3.61Å; C536-G540 WeakPolarHBondContact O-CA 3.33Å; C536-G540 PolarHBondContact O-N 3.42Å; C536-T541 PolarHBondContact N-O 3.41Å; C536-W549 VanDerWaalsContact CA-CZ3 3.45Å; C536-W549 HydrophobicContact CB-CE3 4.44Å; C536-W549 HydrophobicContact CB-CH2 3.71Å; C536-W549 HydrophobicContact CB-CZ3 3.61Å; C536-W549 VanDerWaalsContact N-CZ3 3.25Å; C536-Y558 WeakPolarHBondContact CA-O 3.33Å; C536-C560 HydrophobicContact CB-CB 4.2Å; C536-C560 PolarHBondContact SG-N 2.86Å |
| 537 | V | 86.7 | Confident | 66.9 | Low | 72 Ų | 72 | 102.2 Ų | 102.2 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.2 | -176.1 | 175.7 | 0 | 0 | 0 | 0 | 113.2 | Q535 L557 Y558 | Q535-V537 PolarHBondContact O-N 3.24Å; V537-L557 HydrophobicContact CB-CB 4.47Å; V537-L557 HydrophobicContact CB-CD1 4.31Å; V537-L557 HydrophobicContact CG1-CD1 3.88Å; V537-L557 HydrophobicContact CG2-CB 3.85Å; V537-L557 HydrophobicContact CG2-CD1 3.93Å; V537-L557 HydrophobicContact CG2-CD2 4Å; V537-L557 HydrophobicContact CG2-CG 4.1Å; V537-Y558 PolarHBondContact N-O 3.33Å |
| 538 | Q | 84.2 | Confident | 68.7 | Low | 121 Ų | 121 | 102 Ų | 102 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -31.9 | -177.5 | -172.7 | 62.5 | 36.6 | 0 | 0 | 114.1 | C536 L559 C563 | C536-Q538 PolarHBondContact O-N 2.98Å; Q538-L559 HydrophobicContact CB-CD2 3.81Å; Q538-C563 HydrophobicContact CB-CB 3.83Å; Q538-C563 HydrophobicContact CG-CB 3.91Å |
| 539 | C | 90.9 | Very high | 71 | Confident | 60 Ų | 60 | 98.5 Ų | 98.5 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -6 | -175.3 | 63.8 | 0 | 0 | 0 | 0 | 115.6 | C536 T541 C560 C563 | C536-C539 VanDerWaalsContact CB-SG 3.59Å; C536-C539 PolarHBondContact O-N 2.63Å; C536-C539 VanDerWaalsContact SG-SG 3.61Å; C539-T541 PolarHBondContact O-N 3.07Å; C539-T541 PolarHBondContact SG-OG1 2.69Å; C539-C560 VanDerWaalsContact SG-SG 3.67Å; C539-C563 VanDerWaalsContact CB-SG 3.59Å |
| 540 | G | 86.9 | Confident | 73.2 | Confident | 34 Ų | 34 | 93.7 Ų | 93.7 | 35% | 0.351 | 49% | 0.491 | S | S | . | . | | | trans | 75.7 | -3.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q535 C536 V542 | Q535-G540 VanDerWaalsContact CG-O 3.27Å; Q535-G540 WeakPolarHBondContact CG-O 3.46Å; Q535-G540 PolarHBondContact NE2-O 2.77Å; C536-G540 WeakPolarHBondContact O-CA 3.33Å; C536-G540 PolarHBondContact O-N 3.42Å; G540-V542 PolarHBondContact O-N 3.28Å |
| 541 | T | 87.1 | Confident | 75.6 | Confident | 61 Ų | 61 | 90.4 Ų | 90.4 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | | | trans | -55.9 | 132.8 | 172 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | Q535 C536 C539 W549 | Q535-T541 CarbonylContact C-O 3.6Å; Q535-T541 WeakPolarHBondContact CA-O 2.86Å; C536-T541 PolarHBondContact N-O 3.41Å; C539-T541 PolarHBondContact O-N 3.07Å; C539-T541 PolarHBondContact SG-OG1 2.69Å; T541-W549 VanDerWaalsContact O-CH2 3.26Å; T541-W549 WeakPolarHBondContact O-CH2 3.49Å |
| 542 | V | 83.5 | Confident | 77.4 | Confident | 48 Ų | 48 | 84.7 Ų | 84.7 | 29% | 0.291 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -93.9 | 145.9 | 175.8 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | T533 Q535 G540 I544 | T533-V542 WeakPolarHBondContact OG1-CG1 3.32Å; Q535-V542 HydrophobicContact CB-CG2 4.49Å; Q535-V542 HydrophobicContact CG-CG2 4.07Å; G540-V542 PolarHBondContact O-N 3.28Å; V542-I544 HydrophobicContact CB-CD1 4.3Å; V542-I544 HydrophobicContact CB-CG1 4.17Å; V542-I544 HydrophobicContact CG1-CG1 4.2Å; V542-I544 WeakPolarHBondContact O-CG1 3.31Å; V542-I544 PolarHBondContact O-N 3.45Å |
| 543 | N | 80.1 | Confident | 78.3 | Confident | 45 Ų | 45 | 87.3 Ų | 87.3 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | | | trans | -74.4 | 92.7 | 176 | -158 | 27.6 | 0 | 0 | 0 | 111.2 | P534 E545 W549 | P534-N543 HydrophobicContact CG-CB 3.89Å; P534-N543 PolarHBondContact O-N 2.75Å; N543-E545 PolarHBondContact OD1-O 3.26Å; N543-W549 HydrophobicContact CB-CH2 4.18Å; N543-W549 HydrophobicContact CB-CZ2 3.53Å; N543-W549 VanDerWaalsContact CG-NE1 3.31Å; N543-W549 PolarHBondContact OD1-NE1 3.22Å |
| 544 | I | 70.7 | Confident | 78.6 | Confident | 145 Ų | 145 | 88.9 Ų | 88.9 | 74% | 0.744 | 45% | 0.451 | S | S | * | . | | | trans | -97.3 | -20.6 | -174.6 | -64.4 | 157.8 | 0 | 0 | 0 | 111.9 | V542 | V542-I544 HydrophobicContact CB-CD1 4.3Å; V542-I544 HydrophobicContact CB-CG1 4.17Å; V542-I544 HydrophobicContact CG1-CG1 4.2Å; V542-I544 WeakPolarHBondContact O-CG1 3.31Å; V542-I544 PolarHBondContact O-N 3.45Å |
| 545 | E | 63.8 | Low | 78.5 | Confident | 133 Ų | 133 | 88.4 Ų | 88.4 | 62% | 0.621 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -131.6 | 171.2 | -177.5 | -62.3 | 174.2 | 152.6 | 0 | 0 | 109.8 | N543 Q547 | N543-E545 PolarHBondContact OD1-O 3.26Å; E545-Q547 HydrophobicContact CB-CG 4.33Å; E545-Q547 PolarHBondContact O-N 3Å; E545-Q547 PolarHBondContact OE2-NE2 3.01Å |
| 546 | N | 58.8 | Low | 78.3 | Confident | 176 Ų | 176 | 89.4 Ų | 89.4 | 94% | 0.941 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -73.6 | 40.5 | -178.1 | -74.7 | -36.6 | 0 | 0 | 0 | 114.5 | | |
| 547 | Q | 66.2 | Low | 78 | Confident | 92 Ų | 92 | 91.4 Ų | 91.4 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | | | trans | -66.6 | 137.2 | 174.3 | -58.6 | -177.1 | 9.4 | 0 | 0 | 109.5 | E545 | E545-Q547 HydrophobicContact CB-CG 4.33Å; E545-Q547 PolarHBondContact O-N 3Å; E545-Q547 PolarHBondContact OE2-NE2 3.01Å |
| 548 | Q | 70.7 | Confident | 78 | Confident | 164 Ų | 164 | 93.2 Ų | 93.2 | 77% | 0.766 | 46% | 0.463 | S | S | * | . | | | trans | -71.7 | 130.9 | 167.5 | -75.2 | -175.1 | -17.7 | 0 | 0 | 109.5 | N561 | Q548-N561 VanDerWaalsContact O-CG 3.27Å; Q548-N561 PolarHBondContact O-ND2 3.37Å; Q548-N561 PolarHBondContact O-OD1 2.6Å |
| 549 | W | 82.6 | Confident | 78.2 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 14% | 0.14 | 44% | 0.44 | C | S | . | . | | | trans | -116.8 | 146.8 | 178.3 | -80.4 | 52.1 | 0 | 0 | 0 | 111.3 | P534 Q535 C536 T541 N543 Y558 C560 | P534-W549 WeakPolarHBondContact O-CH2 3.39Å; Q535-W549 VanDerWaalsContact C-CZ3 3.49Å; C536-W549 VanDerWaalsContact CA-CZ3 3.45Å; C536-W549 HydrophobicContact CB-CE3 4.44Å; C536-W549 HydrophobicContact CB-CH2 3.71Å; C536-W549 HydrophobicContact CB-CZ3 3.61Å; C536-W549 VanDerWaalsContact N-CZ3 3.25Å; T541-W549 VanDerWaalsContact O-CH2 3.26Å; T541-W549 WeakPolarHBondContact O-CH2 3.49Å; N543-W549 HydrophobicContact CB-CH2 4.18Å; N543-W549 HydrophobicContact CB-CZ2 3.53Å; N543-W549 VanDerWaalsContact CG-NE1 3.31Å; N543-W549 PolarHBondContact OD1-NE1 3.22Å; W549-Y558 HydrophobicContact CB-CD1 4.45Å; W549-C560 HydrophobicContact CD2-CB 4.39Å; W549-C560 HydrophobicContact CZ2-CB 4.44Å |
| 550 | V | 82.4 | Confident | 78.2 | Confident | 50 Ų | 50 | 85.7 Ų | 85.7 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109.2 | -179.1 | 180 | 0 | 0 | 0 | 0 | 109 | D552 L559 N564 | V550-D552 PolarHBondContact O-N 3.1Å; V550-L559 PolarHBondContact N-O 2.9Å; V550-L559 PolarHBondContact O-N 2.84Å; V550-N564 HydrophobicContact CB-CB 4.32Å; V550-N564 HydrophobicContact CG2-CB 4.3Å |
| 551 | F | 86.1 | Confident | 78.2 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 40% | 0.395 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 104.5 | 167.6 | -175.6 | -98.4 | 0 | 0 | 0 | 109.4 | R553 E556 Y558 | F551-R553 HydrophobicContact CD1-CG 4.28Å; F551-R553 PolarHBondContact O-N 3.09Å; F551-E556 VanDerWaalsContact CE2-C 3.47Å; F551-E556 HydrophobicContact CZ-CB 4.12Å; F551-Y558 HydrophobicContact CB-CD1 4.15Å; F551-Y558 HydrophobicContact CB-CE1 3.94Å; F551-Y558 AromaticContact CD2-CD1 4Å; F551-Y558 HydrophobicContact CD2-CD1 4Å; F551-Y558 HydrophobicContact CD2-CD2 4.02Å; F551-Y558 AromaticContact CD2-CE1 3.78Å; F551-Y558 HydrophobicContact CD2-CE1 3.78Å; F551-Y558 AromaticContact CD2-CE2 3.81Å; F551-Y558 HydrophobicContact CD2-CE2 3.81Å; F551-Y558 HydrophobicContact CD2-CG 4.12Å; F551-Y558 AromaticContact CD2-CZ 3.69Å; F551-Y558 HydrophobicContact CE2-CD2 4.43Å; F551-Y558 HydrophobicContact CE2-CE2 4.14Å; F551-Y558 HydrophobicContact CG-CE1 4.29Å |
| 552 | D | 77.4 | Confident | 78.3 | Confident | 42 Ų | 42 | 91 Ų | 91 | 23% | 0.225 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 113 | 175.2 | 168.8 | 32.7 | 0 | 0 | 0 | 110 | V550 I554 T555 E556 L557 L559 | V550-D552 PolarHBondContact O-N 3.1Å; D552-I554 PolarHBondContact O-N 3.15Å; D552-I554 WeakPolarHBondContact OD1-CB 3.44Å; D552-I554 PolarHBondContact OD1-N 2.94Å; D552-T555 WeakPolarHBondContact CB-OG1 3.49Å; D552-T555 PolarHBondContact O-N 3.1Å; D552-T555 WeakPolarHBondContact OD2-CB 3.48Å; D552-T555 WeakPolarHBondContact OD2-CG2 3.45Å; D552-T555 PolarHBondContact OD2-N 3.11Å; D552-T555 PolarHBondContact OD2-OG1 3.34Å; D552-E556 VanDerWaalsContact O-CA 3.31Å; D552-E556 WeakPolarHBondContact O-CA 3.27Å; D552-E556 PolarHBondContact O-N 3.36Å; D552-L557 PolarHBondContact N-O 3.14Å; D552-L557 PolarHBondContact O-N 2.9Å; D552-L559 HydrophobicContact CB-CD1 4.21Å |
| 553 | R | 73.9 | Confident | 78.7 | Confident | 225 Ų | 225 | 89.5 Ų | 89.5 | 85% | 0.849 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.3 | 178.2 | -53.1 | -174.8 | -166.3 | -173.7 | 4.8 | 113.9 | F551 | F551-R553 HydrophobicContact CD1-CG 4.28Å; F551-R553 PolarHBondContact O-N 3.09Å |
| 554 | I | 73.5 | Confident | 79.1 | Confident | 119 Ų | 119 | 89.2 Ų | 89.2 | 61% | 0.61 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -41.9 | 177.1 | -58.3 | 176.2 | 0 | 0 | 0 | 110.1 | D552 | D552-I554 PolarHBondContact O-N 3.15Å; D552-I554 WeakPolarHBondContact OD1-CB 3.44Å; D552-I554 PolarHBondContact OD1-N 2.94Å |
| 555 | T | 71 | Confident | 79.9 | Confident | 30 Ų | 30 | 88 Ų | 88 | 18% | 0.184 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -18.2 | 175.8 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | D552 L557 K633 | D552-T555 WeakPolarHBondContact CB-OG1 3.49Å; D552-T555 PolarHBondContact O-N 3.1Å; D552-T555 WeakPolarHBondContact OD2-CB 3.48Å; D552-T555 WeakPolarHBondContact OD2-CG2 3.45Å; D552-T555 PolarHBondContact OD2-N 3.11Å; D552-T555 PolarHBondContact OD2-OG1 3.34Å; T555-L557 VanDerWaalsContact C-N 3.28Å; T555-L557 WeakPolarHBondContact O-CG 3.33Å; T555-K633 WeakPolarHBondContact O-CE 3.16Å; T555-K633 PolarHBondContact O-NZ 2.85Å |
| 556 | E | 78 | Confident | 81.1 | Confident | 131 Ų | 131 | 86.4 Ų | 86.4 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 34.7 | -169 | -44.6 | 164.3 | 129.1 | 0 | 0 | 112.6 | F551 D552 K633 | F551-E556 VanDerWaalsContact CE2-C 3.47Å; F551-E556 HydrophobicContact CZ-CB 4.12Å; D552-E556 VanDerWaalsContact O-CA 3.31Å; D552-E556 WeakPolarHBondContact O-CA 3.27Å; D552-E556 PolarHBondContact O-N 3.36Å; E556-K633 IonicContact OE2-NZ 2.72Å; E556-K633 PolarHBondContact OE2-NZ 2.93Å |
| 557 | L | 83.1 | Confident | 82.5 | Confident | 45 Ų | 45 | 80.4 Ų | 80.4 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 158.9 | -172.7 | -64.2 | 170.2 | 0 | 0 | 0 | 112 | V537 D552 T555 K633 | V537-L557 HydrophobicContact CB-CB 4.47Å; V537-L557 HydrophobicContact CB-CD1 4.31Å; V537-L557 HydrophobicContact CG1-CD1 3.88Å; V537-L557 HydrophobicContact CG2-CB 3.85Å; V537-L557 HydrophobicContact CG2-CD1 3.93Å; V537-L557 HydrophobicContact CG2-CD2 4Å; V537-L557 HydrophobicContact CG2-CG 4.1Å; D552-L557 PolarHBondContact N-O 3.14Å; D552-L557 PolarHBondContact O-N 2.9Å; T555-L557 VanDerWaalsContact C-N 3.28Å; T555-L557 WeakPolarHBondContact O-CG 3.33Å; L557-K633 HydrophobicContact CD1-CD 4.16Å; L557-K633 HydrophobicContact CD1-CG 4.13Å |
| 558 | Y | 87.5 | Confident | 83.4 | Confident | 110 Ų | 110 | 79.5 Ų | 79.5 | 43% | 0.431 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.7 | -177.4 | -77.9 | -75.8 | 0 | 0 | 0 | 111.7 | P534 C536 V537 W549 F551 | P534-Y558 HydrophobicContact CB-CD2 4.17Å; P534-Y558 HydrophobicContact CB-CG 4.3Å; C536-Y558 WeakPolarHBondContact CA-O 3.33Å; V537-Y558 PolarHBondContact N-O 3.33Å; W549-Y558 HydrophobicContact CB-CD1 4.45Å; F551-Y558 HydrophobicContact CB-CD1 4.15Å; F551-Y558 HydrophobicContact CB-CE1 3.94Å; F551-Y558 AromaticContact CD2-CD1 4Å; F551-Y558 HydrophobicContact CD2-CD1 4Å; F551-Y558 HydrophobicContact CD2-CD2 4.02Å; F551-Y558 AromaticContact CD2-CE1 3.78Å; F551-Y558 HydrophobicContact CD2-CE1 3.78Å; F551-Y558 AromaticContact CD2-CE2 3.81Å; F551-Y558 HydrophobicContact CD2-CE2 3.81Å; F551-Y558 HydrophobicContact CD2-CG 4.12Å; F551-Y558 AromaticContact CD2-CZ 3.69Å; F551-Y558 HydrophobicContact CE2-CD2 4.43Å; F551-Y558 HydrophobicContact CE2-CE2 4.14Å; F551-Y558 HydrophobicContact CG-CE1 4.29Å |
| 559 | L | 88 | Confident | 84.1 | Confident | 18 Ų | 18 | 76.1 Ų | 76.1 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134 | 174 | -69.2 | 165.6 | 0 | 0 | 0 | 110 | Q538 V550 D552 C563 N564 I567 | Q538-L559 HydrophobicContact CB-CD2 3.81Å; V550-L559 PolarHBondContact N-O 2.9Å; V550-L559 PolarHBondContact O-N 2.84Å; D552-L559 HydrophobicContact CB-CD1 4.21Å; L559-C563 HydrophobicContact CD2-CB 4.23Å; L559-N564 HydrophobicContact CB-CB 4.31Å; L559-I567 HydrophobicContact CD1-CD1 4.08Å; L559-I567 HydrophobicContact CD2-CD1 4.06Å |
| 560 | C | 91.9 | Very high | 84.2 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.027 | 37% | 0.368 | C | S | . | . | | | trans | -68.1 | 160.4 | 164.7 | 72 | 0 | 0 | 0 | 0 | 109.9 | C536 C539 W549 E562 C563 N564 | C536-C560 HydrophobicContact CB-CB 4.2Å; C536-C560 PolarHBondContact SG-N 2.86Å; C539-C560 VanDerWaalsContact SG-SG 3.67Å; W549-C560 HydrophobicContact CD2-CB 4.39Å; W549-C560 HydrophobicContact CZ2-CB 4.44Å; C560-E562 VanDerWaalsContact C-N 3.31Å; C560-E562 PolarHBondContact O-N 3.44Å; C560-C563 PolarHBondContact O-N 3.35Å; C560-C563 PolarHBondContact SG-N 3.08Å; C560-C563 VanDerWaalsContact SG-SG 3.67Å; C560-N564 PolarHBondContact O-N 3.49Å |
| 561 | N | 86.9 | Confident | 84.1 | Confident | 60 Ų | 60 | 77.4 Ų | 77.4 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | -176.5 | -75.6 | -32.9 | 0 | 0 | 0 | 113.1 | Q548 N564 Q565 | Q548-N561 VanDerWaalsContact O-CG 3.27Å; Q548-N561 PolarHBondContact O-ND2 3.37Å; Q548-N561 PolarHBondContact O-OD1 2.6Å; N561-N564 PolarHBondContact O-N 3.13Å; N561-Q565 WeakPolarHBondContact O-CB 3.43Å; N561-Q565 VanDerWaalsContact O-CG 3.26Å; N561-Q565 WeakPolarHBondContact O-CG 3.31Å; N561-Q565 PolarHBondContact O-N 2.97Å |
| 562 | E | 88.2 | Confident | 83.8 | Confident | 148 Ų | 148 | 76.7 Ų | 76.7 | 69% | 0.692 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.3 | -49.1 | 178.5 | -59.9 | 179.8 | 151.6 | 0 | 0 | 111.6 | C560 N564 Q565 Q566 | C560-E562 VanDerWaalsContact C-N 3.31Å; C560-E562 PolarHBondContact O-N 3.44Å; E562-N564 PolarHBondContact O-N 2.72Å; E562-Q565 PolarHBondContact O-N 3.49Å; E562-Q566 WeakPolarHBondContact O-CB 3.29Å; E562-Q566 PolarHBondContact O-N 2.99Å |
| 563 | C | 91.6 | Very high | 83.8 | Confident | 15 Ų | 15 | 82.8 Ų | 82.8 | 10% | 0.101 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 177.8 | -75.1 | 0 | 0 | 0 | 0 | 112.3 | Q538 C539 L559 C560 Q566 I567 | Q538-C563 HydrophobicContact CB-CB 3.83Å; Q538-C563 HydrophobicContact CG-CB 3.91Å; C539-C563 VanDerWaalsContact CB-SG 3.59Å; L559-C563 HydrophobicContact CD2-CB 4.23Å; C560-C563 PolarHBondContact O-N 3.35Å; C560-C563 PolarHBondContact SG-N 3.08Å; C560-C563 VanDerWaalsContact SG-SG 3.67Å; C563-Q566 PolarHBondContact O-N 3.12Å; C563-I567 WeakPolarHBondContact O-CB 3.33Å; C563-I567 WeakPolarHBondContact O-CD1 3.41Å; C563-I567 VanDerWaalsContact O-CG1 3.23Å; C563-I567 WeakPolarHBondContact O-CG1 3.09Å; C563-I567 PolarHBondContact O-N 3Å |
| 564 | N | 89.8 | Confident | 83.9 | Confident | 40 Ų | 40 | 75.7 Ų | 75.7 | 21% | 0.214 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 173.7 | 176.4 | 56.9 | 0 | 0 | 0 | 111.8 | V550 L559 C560 N561 E562 N568 | V550-N564 HydrophobicContact CB-CB 4.32Å; V550-N564 HydrophobicContact CG2-CB 4.3Å; L559-N564 HydrophobicContact CB-CB 4.31Å; C560-N564 PolarHBondContact O-N 3.49Å; N561-N564 PolarHBondContact O-N 3.13Å; E562-N564 PolarHBondContact O-N 2.72Å; N564-N568 PolarHBondContact O-N 2.8Å; N564-N568 PolarHBondContact O-ND2 3.38Å; N564-N568 PolarHBondContact OD1-ND2 3.05Å; N564-N568 VanDerWaalsContact OD1-ND2 3.12Å |
| 565 | Q | 87.1 | Confident | 83.9 | Confident | 119 Ų | 119 | 75.7 Ų | 75.7 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 174.9 | -74.5 | 176.5 | 21.4 | 0 | 0 | 111.3 | N561 E562 I567 N568 N569 | N561-Q565 WeakPolarHBondContact O-CB 3.43Å; N561-Q565 VanDerWaalsContact O-CG 3.26Å; N561-Q565 WeakPolarHBondContact O-CG 3.31Å; N561-Q565 PolarHBondContact O-N 2.97Å; E562-Q565 PolarHBondContact O-N 3.49Å; Q565-I567 PolarHBondContact O-N 3.24Å; Q565-N568 PolarHBondContact O-N 2.71Å; Q565-N568 VanDerWaalsContact O-N 3.14Å; Q565-N569 WeakPolarHBondContact O-CB 3.46Å; Q565-N569 VanDerWaalsContact O-CG 3.23Å; Q565-N569 PolarHBondContact O-N 2.89Å; Q565-N569 PolarHBondContact O-ND2 2.97Å |
| 566 | Q | 88.6 | Confident | 83.8 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 177.3 | -175.9 | 56.8 | 32.6 | 0 | 0 | 112 | E562 C563 N568 N569 D570 | E562-Q566 WeakPolarHBondContact O-CB 3.29Å; E562-Q566 PolarHBondContact O-N 2.99Å; C563-Q566 PolarHBondContact O-N 3.12Å; Q566-N568 VanDerWaalsContact C-N 3.28Å; Q566-N568 PolarHBondContact O-N 3.04Å; Q566-N569 PolarHBondContact O-N 3.07Å; Q566-N569 VanDerWaalsContact O-N 3.16Å; Q566-D570 PolarHBondContact NE2-OD2 3.3Å; Q566-D570 PolarHBondContact O-N 3.14Å |
| 567 | I | 87 | Confident | 83.2 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 175.4 | -71.1 | 165.1 | 0 | 0 | 0 | 110.9 | L559 C563 Q565 N571 | L559-I567 HydrophobicContact CD1-CD1 4.08Å; L559-I567 HydrophobicContact CD2-CD1 4.06Å; C563-I567 WeakPolarHBondContact O-CB 3.33Å; C563-I567 WeakPolarHBondContact O-CD1 3.41Å; C563-I567 VanDerWaalsContact O-CG1 3.23Å; C563-I567 WeakPolarHBondContact O-CG1 3.09Å; C563-I567 PolarHBondContact O-N 3Å; Q565-I567 PolarHBondContact O-N 3.24Å; I567-N571 WeakPolarHBondContact O-CB 3.36Å; I567-N571 PolarHBondContact O-N 3.03Å; I567-N571 PolarHBondContact O-ND2 3.04Å |
| 568 | N | 85.6 | Confident | 81.9 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 176.5 | -77.8 | -64 | 0 | 0 | 0 | 112.6 | N564 Q565 Q566 N571 N572 | N564-N568 PolarHBondContact O-N 2.8Å; N564-N568 PolarHBondContact O-ND2 3.38Å; N564-N568 PolarHBondContact OD1-ND2 3.05Å; N564-N568 VanDerWaalsContact OD1-ND2 3.12Å; Q565-N568 PolarHBondContact O-N 2.71Å; Q565-N568 VanDerWaalsContact O-N 3.14Å; Q566-N568 VanDerWaalsContact C-N 3.28Å; Q566-N568 PolarHBondContact O-N 3.04Å; N568-N571 PolarHBondContact O-N 2.99Å; N568-N572 WeakPolarHBondContact O-CB 3.2Å; N568-N572 PolarHBondContact O-N 2.83Å; N568-N572 PolarHBondContact O-ND2 2.95Å |
| 569 | N | 86.1 | Confident | 80.4 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 175.5 | -70.9 | -21.5 | 0 | 0 | 0 | 111.8 | Q565 Q566 N572 R573 | Q565-N569 WeakPolarHBondContact O-CB 3.46Å; Q565-N569 VanDerWaalsContact O-CG 3.23Å; Q565-N569 PolarHBondContact O-N 2.89Å; Q565-N569 PolarHBondContact O-ND2 2.97Å; Q566-N569 PolarHBondContact O-N 3.07Å; Q566-N569 VanDerWaalsContact O-N 3.16Å; N569-N572 PolarHBondContact O-N 3.16Å; N569-N572 VanDerWaalsContact O-N 3.15Å; N569-R573 WeakPolarHBondContact O-CB 3.39Å; N569-R573 PolarHBondContact O-N 3.22Å |
| 570 | D | 83.6 | Confident | 78.4 | Confident | 52 Ų | 52 | 90.5 Ų | 90.5 | 28% | 0.278 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 176.3 | -78.9 | -44.1 | 0 | 0 | 0 | 112.2 | Q566 N572 R573 I574 | Q566-D570 PolarHBondContact NE2-OD2 3.3Å; Q566-D570 PolarHBondContact O-N 3.14Å; D570-N572 VanDerWaalsContact C-N 3.26Å; D570-N572 PolarHBondContact O-N 3.39Å; D570-R573 PolarHBondContact O-N 3.34Å; D570-R573 IonicContact OD1-NH1 3.64Å; D570-R573 PolarHBondContact OD1-NH1 3.38Å; D570-I574 WeakPolarHBondContact O-CB 3.31Å; D570-I574 WeakPolarHBondContact O-CD1 3.21Å; D570-I574 VanDerWaalsContact O-CG1 3.22Å; D570-I574 WeakPolarHBondContact O-CG1 3.44Å; D570-I574 PolarHBondContact O-N 2.87Å |
| 571 | N | 81.9 | Confident | 76.2 | Confident | 63 Ų | 63 | 98.8 Ų | 98.8 | 34% | 0.337 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 170.7 | -86.7 | -73.3 | 0 | 0 | 0 | 112 | I567 N568 K575 | I567-N571 WeakPolarHBondContact O-CB 3.36Å; I567-N571 PolarHBondContact O-N 3.03Å; I567-N571 PolarHBondContact O-ND2 3.04Å; N568-N571 PolarHBondContact O-N 2.99Å; N571-K575 VanDerWaalsContact O-CG 3.25Å; N571-K575 WeakPolarHBondContact O-CG 3.39Å; N571-K575 PolarHBondContact O-N 3.49Å; N571-K575 VanDerWaalsContact O-N 3.07Å |
| 572 | N | 80.1 | Confident | 73.9 | Confident | 75 Ų | 75 | 104.6 Ų | 104.6 | 40% | 0.401 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.5 | -40.5 | 176.9 | -70.6 | -21.1 | 0 | 0 | 0 | 112.1 | N568 N569 D570 I574 K575 S576 | N568-N572 WeakPolarHBondContact O-CB 3.2Å; N568-N572 PolarHBondContact O-N 2.83Å; N568-N572 PolarHBondContact O-ND2 2.95Å; N569-N572 PolarHBondContact O-N 3.16Å; N569-N572 VanDerWaalsContact O-N 3.15Å; D570-N572 VanDerWaalsContact C-N 3.26Å; D570-N572 PolarHBondContact O-N 3.39Å; N572-I574 VanDerWaalsContact C-N 3.32Å; N572-I574 PolarHBondContact O-N 2.97Å; N572-K575 WeakPolarHBondContact O-CB 3.44Å; N572-K575 PolarHBondContact O-N 2.92Å; N572-K575 VanDerWaalsContact O-N 3.14Å; N572-K575 PolarHBondContact OD1-NZ 2.97Å; N572-S576 PolarHBondContact O-N 3.3Å; N572-S576 PolarHBondContact O-OG 3.49Å |
| 573 | R | 76.5 | Confident | 71.4 | Confident | 170 Ų | 170 | 103.2 Ų | 103.2 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.1 | -42.3 | 170.7 | -180 | -179.3 | 171.2 | -165.4 | 1.9 | 112 | N569 D570 S576 T577 | N569-R573 WeakPolarHBondContact O-CB 3.39Å; N569-R573 PolarHBondContact O-N 3.22Å; D570-R573 PolarHBondContact O-N 3.34Å; D570-R573 IonicContact OD1-NH1 3.64Å; D570-R573 PolarHBondContact OD1-NH1 3.38Å; R573-S576 PolarHBondContact O-N 3.04Å; R573-T577 WeakPolarHBondContact O-CG2 3.47Å; R573-T577 PolarHBondContact O-N 2.85Å; R573-T577 PolarHBondContact O-OG1 3.27Å; R573-T577 VanDerWaalsContact O-OG1 3.12Å |
| 574 | I | 75.5 | Confident | 68.9 | Low | 76 Ų | 76 | 107.8 Ų | 107.8 | 39% | 0.39 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 175.4 | -68.1 | 164.1 | 0 | 0 | 0 | 111.7 | D570 N572 T577 R578 | D570-I574 WeakPolarHBondContact O-CB 3.31Å; D570-I574 WeakPolarHBondContact O-CD1 3.21Å; D570-I574 VanDerWaalsContact O-CG1 3.22Å; D570-I574 WeakPolarHBondContact O-CG1 3.44Å; D570-I574 PolarHBondContact O-N 2.87Å; N572-I574 VanDerWaalsContact C-N 3.32Å; N572-I574 PolarHBondContact O-N 2.97Å; I574-T577 PolarHBondContact O-OG1 3.48Å; I574-R578 WeakPolarHBondContact O-CB 3.39Å; I574-R578 VanDerWaalsContact O-CG 3.23Å; I574-R578 WeakPolarHBondContact O-CG 3.26Å; I574-R578 PolarHBondContact O-N 3.07Å; I574-R578 VanDerWaalsContact O-N 3.16Å |
| 575 | K | 73.2 | Confident | 66.3 | Low | 118 Ų | 118 | 111.6 Ų | 111.6 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -43.5 | 172.3 | -68.5 | 163.6 | -156.6 | 164.8 | 0 | 111.3 | N571 N572 R578 K579 | N571-K575 VanDerWaalsContact O-CG 3.25Å; N571-K575 WeakPolarHBondContact O-CG 3.39Å; N571-K575 PolarHBondContact O-N 3.49Å; N571-K575 VanDerWaalsContact O-N 3.07Å; N572-K575 WeakPolarHBondContact O-CB 3.44Å; N572-K575 PolarHBondContact O-N 2.92Å; N572-K575 VanDerWaalsContact O-N 3.14Å; N572-K575 PolarHBondContact OD1-NZ 2.97Å; K575-R578 PolarHBondContact O-N 2.86Å; K575-K579 PolarHBondContact O-N 2.95Å; K575-K579 VanDerWaalsContact O-N 3.09Å |
| 576 | S | 68.6 | Low | 64.1 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 49% | 0.49 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.3 | -45.3 | -179.3 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | N572 R573 R578 K579 M580 | N572-S576 PolarHBondContact O-N 3.3Å; N572-S576 PolarHBondContact O-OG 3.49Å; R573-S576 PolarHBondContact O-N 3.04Å; S576-R578 VanDerWaalsContact C-N 3.31Å; S576-R578 PolarHBondContact O-N 3.47Å; S576-K579 PolarHBondContact O-N 2.71Å; S576-K579 VanDerWaalsContact O-N 3.1Å; S576-M580 PolarHBondContact O-N 2.96Å |
| 577 | T | 66 | Low | 61.5 | Low | 84 Ų | 84 | 115.7 Ų | 115.7 | 52% | 0.515 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.3 | -33.3 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | R573 I574 M580 | R573-T577 WeakPolarHBondContact O-CG2 3.47Å; R573-T577 PolarHBondContact O-N 2.85Å; R573-T577 PolarHBondContact O-OG1 3.27Å; R573-T577 VanDerWaalsContact O-OG1 3.12Å; I574-T577 PolarHBondContact O-OG1 3.48Å; T577-M580 PolarHBondContact O-N 2.94Å |
| 578 | R | 56.5 | Low | 59.2 | Low | 158 Ų | 158 | 119.6 Ų | 119.6 | 60% | 0.596 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.8 | -32.1 | 171.3 | -73.8 | 178 | -171.6 | -164.7 | 6.5 | 113.2 | I574 K575 S576 | I574-R578 WeakPolarHBondContact O-CB 3.39Å; I574-R578 VanDerWaalsContact O-CG 3.23Å; I574-R578 WeakPolarHBondContact O-CG 3.26Å; I574-R578 PolarHBondContact O-N 3.07Å; I574-R578 VanDerWaalsContact O-N 3.16Å; K575-R578 PolarHBondContact O-N 2.86Å; S576-R578 VanDerWaalsContact C-N 3.31Å; S576-R578 PolarHBondContact O-N 3.47Å |
| 579 | K | 56.7 | Low | 56.8 | Low | 177 Ų | 177 | 121.9 Ų | 121.9 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.2 | -29.8 | 175.1 | -78.2 | -175.1 | 174 | -173 | 0 | 113.3 | K575 S576 K581 | K575-K579 PolarHBondContact O-N 2.95Å; K575-K579 VanDerWaalsContact O-N 3.09Å; S576-K579 PolarHBondContact O-N 2.71Å; S576-K579 VanDerWaalsContact O-N 3.1Å; K579-K581 VanDerWaalsContact C-N 3.31Å; K579-K581 PolarHBondContact O-N 2.95Å |
| 580 | M | 44.3 | Very low | 54.2 | Low | 156 Ų | 156 | 122.4 Ų | 122.4 | 77% | 0.768 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -8.2 | -175.1 | -76.8 | -178.5 | 159 | 0 | 0 | 115.7 | S576 T577 H582 | S576-M580 PolarHBondContact O-N 2.96Å; T577-M580 PolarHBondContact O-N 2.94Å; M580-H582 VanDerWaalsContact C-N 3.33Å; M580-H582 PolarHBondContact O-N 3.08Å |
| 581 | K | 46.9 | Very low | 52.1 | Low | 178 Ų | 178 | 127 Ų | 127 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 14.4 | -177.3 | -96.4 | -174.8 | 175.8 | -179.5 | 0 | 116.1 | K579 | K579-K581 VanDerWaalsContact C-N 3.31Å; K579-K581 PolarHBondContact O-N 2.95Å |
| 582 | H | 38 | Very low | 50.2 | Low | 183 Ų | 183 | 134 Ų | 134 | 85% | 0.847 | 70% | 0.701 | S | S | * | * | | | trans | -128.3 | 76.3 | 170 | -83.8 | -71.5 | 0 | 0 | 0 | 112.3 | M580 | M580-H582 VanDerWaalsContact C-N 3.33Å; M580-H582 PolarHBondContact O-N 3.08Å |
| 583 | V | 36.2 | Very low | 48.2 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | | | trans | -97.2 | 122.7 | 160.1 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | S585 | V583-S585 PolarHBondContact O-N 2.91Š|
| 584 | P | 38.2 | Very low | 46.3 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | | | trans | -78 | 102.7 | 177.9 | 30 | -32.4 | 0 | 0 | 0 | 110.6 | I586 | P584-I586 PolarHBondContact O-N 2.99Å; P584-I586 VanDerWaalsContact O-N 3.1Å |
| 585 | S | 35.6 | Very low | 44.7 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -69.3 | 103.8 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | V583 | V583-S585 PolarHBondContact O-N 2.91Š|
| 586 | I | 40.8 | Very low | 42.9 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | -81.8 | 127 | 171.5 | -63.7 | 174.3 | 0 | 0 | 0 | 109.4 | P584 V588 | P584-I586 PolarHBondContact O-N 2.99Å; P584-I586 VanDerWaalsContact O-N 3.1Å; I586-V588 PolarHBondContact O-N 2.76Å |
| 587 | N | 34.9 | Very low | 41.3 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | 12.2 | 95 | 164.1 | -62.5 | -15 | 0 | 0 | 0 | 118.3 | | |
| 588 | V | 37.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 151.2 Ų | 151.2 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -129.3 | 132.7 | 155.5 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | I586 | I586-V588 PolarHBondContact O-N 2.76Š|
| 589 | P | 36.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -67.1 | 152.6 | -170.7 | 25.5 | -34.8 | 0 | 0 | 0 | 113.7 | D591 | P589-D591 PolarHBondContact O-N 3.03Å; P589-D591 VanDerWaalsContact O-N 3.13Å |
| 590 | A | 30.9 | Very low | 37.5 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -82.7 | 90 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 591 | D | 39.8 | Very low | 37 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -151 | 147.6 | 149.5 | -126.4 | -32.6 | 0 | 0 | 0 | 110.6 | P589 | P589-D591 PolarHBondContact O-N 3.03Å; P589-D591 VanDerWaalsContact O-N 3.13Å |
| 592 | K | 41.2 | Very low | 36.2 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | trans | 65.3 | 67.6 | -176.3 | -50.7 | 171.1 | -175.4 | 172.1 | 0 | 116.6 | | |
| 593 | A | 39.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -130.6 | 105.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 594 | K | 36.7 | Very low | 35.3 | Very low | 212 Ų | 212 | 146.2 Ų | 146.2 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 122.3 | 168.4 | -83.2 | -173.3 | 174 | -177.5 | 0 | 109.7 | | |
| 595 | P | 40.7 | Very low | 34.9 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 136.1 | 170 | 31.7 | -32.1 | 0 | 0 | 0 | 110.9 | | |
| 596 | F | 36.3 | Very low | 34.5 | Very low | 217 Ų | 217 | 152.8 Ų | 152.8 | 95% | 0.952 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 142.7 | 161.1 | -108.6 | -103.2 | 0 | 0 | 0 | 109.4 | | |
| 597 | F | 34.2 | Very low | 34.1 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86 | 129.3 | -175.4 | -100.1 | -104.2 | 0 | 0 | 0 | 112.2 | P599 | F597-P599 WeakPolarHBondContact O-CD 3.44Š|
| 598 | D | 34.1 | Very low | 33.9 | Very low | 142 Ų | 142 | 154.3 Ų | 154.3 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | | | trans | -101 | 102 | 169.9 | -141.9 | -11.6 | 0 | 0 | 0 | 107.1 | L600 | D598-L600 PolarHBondContact O-N 2.81Å; D598-L600 VanDerWaalsContact O-N 3.12Å |
| 599 | P | 33.6 | Very low | 33.6 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 77.9 | -165.8 | 35 | -35.5 | 0 | 0 | 0 | 112.3 | F597 | F597-P599 WeakPolarHBondContact O-CD 3.44Š|
| 600 | L | 31.9 | Very low | 33.2 | Very low | 167 Ų | 167 | 160.3 Ų | 160.3 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.3 | 33.3 | 156 | -111.5 | 178.8 | 0 | 0 | 0 | 116.3 | D598 | D598-L600 PolarHBondContact O-N 2.81Å; D598-L600 VanDerWaalsContact O-N 3.12Å |
| 601 | L | 32.8 | Very low | 33.3 | Very low | 173 Ų | 173 | 160.7 Ų | 160.7 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | -167.5 | 85.1 | 167 | -113.2 | 166.7 | 0 | 0 | 0 | 112.7 | | |
| 602 | N | 30.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 65% | 0.647 | 80% | 0.8 | S | S | * | * | | | trans | -154.2 | 95.2 | 161.4 | -154.4 | -4 | 0 | 0 | 0 | 115.6 | G604 | N602-G604 PolarHBondContact OD1-N 3.13Š|
| 603 | Y | 28 | Very low | 32.4 | Very low | 244 Ų | 244 | 155 Ų | 155 | 96% | 0.957 | 80% | 0.799 | S | S | * | * | | | trans | -128.6 | 54.5 | 140.6 | -96.9 | -76.4 | 0 | 0 | 0 | 108.8 | | |
| 604 | G | 28.9 | Very low | 32.1 | Very low | 50 Ų | 50 | 156.1 Ų | 156.1 | 52% | 0.515 | 79% | 0.791 | S | S | . | * | | | trans | -97.3 | 83.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N602 | N602-G604 PolarHBondContact OD1-N 3.13Š|
| 605 | T | 28.2 | Very low | 32 | Very low | 135 Ų | 135 | 154 Ų | 154 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | trans | 24 | 116.7 | 154.5 | 50.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 606 | R | 28.7 | Very low | 31.6 | Very low | 235 Ų | 235 | 155.9 Ų | 155.9 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -159.9 | 99.9 | 153.8 | -116.9 | 158.3 | -171.7 | 165.5 | 2.4 | 115 | | |
| 607 | N | 30.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | trans | 156.2 | 147.3 | 136.7 | -82.3 | -21 | 0 | 0 | 0 | 111 | | |
| 608 | R | 31.1 | Very low | 31.2 | Very low | 202 Ų | 202 | 156 Ų | 156 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | cis | -167.8 | 118.2 | -29.6 | -126.6 | 177.6 | -172 | 169.1 | 0.5 | 107.3 | | |
| 609 | N | 31 | Very low | 31 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 67.6 | 163 | 177.3 | -36.6 | -46.5 | 0 | 0 | 0 | 113.5 | | |
| 610 | R | 29.3 | Very low | 30.8 | Very low | 227 Ų | 227 | 157.8 Ų | 157.8 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | cis | -153.4 | 136.6 | 3.3 | -151.2 | -174.5 | -167.8 | -172.1 | 3.2 | 111.2 | | |
| 611 | S | 31.8 | Very low | 30.5 | Very low | 112 Ų | 112 | 154.9 Ų | 154.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | 41.8 | 121.3 | 149.9 | 59.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 612 | G | 29.5 | Very low | 30.4 | Very low | 69 Ų | 69 | 153.6 Ų | 153.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | 149.5 | 117.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 613 | L | 33.2 | Very low | 30.3 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | 59.6 | 152 | 169.1 | -83.3 | 73.4 | 0 | 0 | 0 | 117.1 | | |
| 614 | D | 32.8 | Very low | 30.4 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | | | cis | -146.5 | -174.2 | -27.9 | -149.6 | -20.4 | 0 | 0 | 0 | 109.6 | | |
| 615 | Q | 34 | Very low | 30.2 | Very low | 166 Ų | 166 | 156.1 Ų | 156.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -69.3 | 124.4 | -172.1 | -62.8 | 145.6 | 86.5 | 0 | 0 | 113.6 | | |
| 616 | D | 32.7 | Very low | 30.2 | Very low | 146 Ų | 146 | 156.2 Ų | 156.2 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | | | | -175 | 167.7 | 108.4 | -115.1 | -26 | 0 | 0 | 0 | 115.2 | | |
| 617 | N | 31.7 | Very low | 30.2 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | 61.5 | 80.5 | 166.9 | -68.9 | -56.9 | 0 | 0 | 0 | 118.8 | S619 | N617-S619 PolarHBondContact O-N 3.13Š|
| 618 | R | 30.1 | Very low | 30.1 | Very low | 255 Ų | 255 | 151.2 Ų | 151.2 | 96% | 0.962 | 77% | 0.773 | S | S | * | * | | | trans | -62 | 117.8 | 161.8 | -65.3 | 173.2 | 171.9 | -178.3 | -3.3 | 112.2 | | |
| 619 | S | 30.5 | Very low | 30 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -167.1 | 35.1 | 154.8 | 41.2 | 0 | 0 | 0 | 0 | 115.8 | N617 S621 | N617-S619 PolarHBondContact O-N 3.13Å; S619-S621 PolarHBondContact O-N 3.01Å; S619-S621 VanDerWaalsContact O-N 3.1Å |
| 620 | L | 28.8 | Very low | 30.1 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 94% | 0.942 | 76% | 0.759 | S | S | * | * | | | trans | -82.7 | 76.5 | 171.5 | -83.3 | 172.4 | 0 | 0 | 0 | 112.7 | | |
| 621 | S | 27 | Very low | 30.3 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | trans | -175.4 | 101.1 | 152.7 | -86.5 | 0 | 0 | 0 | 0 | 111.4 | S619 | S619-S621 PolarHBondContact O-N 3.01Å; S619-S621 VanDerWaalsContact O-N 3.1Å |
| 622 | F | 30 | Very low | 30.5 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 64% | 0.64 | 74% | 0.741 | S | S | * | * | | | trans | -140.9 | 88.7 | 159.3 | -101.8 | -66 | 0 | 0 | 0 | 110.6 | I624 | F622-I624 VanDerWaalsContact C-N 3.26Å; F622-I624 HydrophobicContact CB-CD1 4.15Å; F622-I624 HydrophobicContact CB-CG1 4.06Å; F622-I624 HydrophobicContact CD1-CD1 3.88Å; F622-I624 HydrophobicContact CD1-CG1 3.76Å; F622-I624 HydrophobicContact CG-CD1 4.16Å; F622-I624 HydrophobicContact CG-CG1 4.26Å; F622-I624 PolarHBondContact O-N 3.26Å |
| 623 | L | 27.7 | Very low | 30.9 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 93% | 0.927 | 73% | 0.726 | S | S | * | * | | | trans | -62.7 | 92.1 | 155.9 | -76.3 | 168.1 | 0 | 0 | 0 | 107.9 | | |
| 624 | I | 31 | Very low | 31.1 | Very low | 94 Ų | 94 | 139 Ų | 139 | 48% | 0.482 | 71% | 0.709 | S | S | . | * | | | trans | -104.8 | 94.6 | 169.5 | -63 | 177.9 | 0 | 0 | 0 | 107.7 | F622 N626 | F622-I624 VanDerWaalsContact C-N 3.26Å; F622-I624 HydrophobicContact CB-CD1 4.15Å; F622-I624 HydrophobicContact CB-CG1 4.06Å; F622-I624 HydrophobicContact CD1-CD1 3.88Å; F622-I624 HydrophobicContact CD1-CG1 3.76Å; F622-I624 HydrophobicContact CG-CD1 4.16Å; F622-I624 HydrophobicContact CG-CG1 4.26Å; F622-I624 PolarHBondContact O-N 3.26Å; I624-N626 VanDerWaalsContact CG2-ND2 3.26Å; I624-N626 WeakPolarHBondContact CG2-ND2 3.26Å; I624-N626 PolarHBondContact O-N 3.33Å |
| 625 | W | 24.9 | Very low | 31.1 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | | | trans | -50.4 | 124.9 | 147.6 | -79.1 | 18.1 | 0 | 0 | 0 | 108 | | |
| 626 | N | 28.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | | | trans | -123.2 | 129.3 | 154.6 | -89.9 | -58.7 | 0 | 0 | 0 | 106.4 | I624 V628 | I624-N626 VanDerWaalsContact CG2-ND2 3.26Å; I624-N626 WeakPolarHBondContact CG2-ND2 3.26Å; I624-N626 PolarHBondContact O-N 3.33Å; N626-V628 PolarHBondContact O-N 2.87Å |
| 627 | D | 27.7 | Very low | 31.3 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | | | trans | -61.5 | 122.1 | -173 | -67.8 | -71.1 | 0 | 0 | 0 | 112 | K629 | D627-K629 HydrophobicContact CB-CB 4.49Å; D627-K629 HydrophobicContact CB-CG 4.28Å; D627-K629 PolarHBondContact O-N 3.16Å |
| 628 | V | 28.4 | Very low | 31.2 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | | | trans | -75.2 | 68.7 | 163.7 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | N626 | N626-V628 PolarHBondContact O-N 2.87Š|
| 629 | K | 29.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 60% | 0.6 | 68% | 0.678 | S | S | * | * | | | trans | -101.3 | 62.1 | 167.2 | -79.7 | -168 | 174.4 | -168.8 | 0 | 109.9 | D627 | D627-K629 HydrophobicContact CB-CB 4.49Å; D627-K629 HydrophobicContact CB-CG 4.28Å; D627-K629 PolarHBondContact O-N 3.16Å |
| 630 | S | 33.5 | Very low | 31 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | | | trans | -116.1 | 66.7 | 169.2 | 59 | 0 | 0 | 0 | 0 | 109.5 | S632 | S630-S632 PolarHBondContact O-N 3.49Š|
| 631 | Y | 33.9 | Very low | 31.1 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 63% | 0.627 | 67% | 0.668 | S | S | * | * | | | trans | -62.6 | 124.7 | 167 | -77.8 | -84.8 | 0 | 0 | 0 | 108.7 | | |
| 632 | S | 34.5 | Very low | 31.2 | Very low | 88 Ų | 88 | 127 Ų | 127 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | | | trans | -74.8 | 134.9 | 175.8 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | S630 D634 | S630-S632 PolarHBondContact O-N 3.49Å; S632-D634 PolarHBondContact O-N 3.37Å |
| 633 | K | 38.2 | Very low | 31.2 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 41% | 0.413 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -81.6 | 40.8 | 168.3 | -65.4 | -163.9 | 177 | -168.7 | 0 | 110.9 | T555 E556 L557 | T555-K633 WeakPolarHBondContact O-CE 3.16Å; T555-K633 PolarHBondContact O-NZ 2.85Å; E556-K633 IonicContact OE2-NZ 2.72Å; E556-K633 PolarHBondContact OE2-NZ 2.93Å; L557-K633 HydrophobicContact CD1-CD 4.16Å; L557-K633 HydrophobicContact CD1-CG 4.13Å |
| 634 | D | 37.9 | Very low | 31.4 | Very low | 97 Ų | 97 | 125 Ų | 125 | 52% | 0.519 | 66% | 0.658 | S | S | . | * | | | trans | -146.5 | 109.5 | 179.5 | -76.5 | -60.8 | 0 | 0 | 0 | 108.5 | S632 S636 | S632-D634 PolarHBondContact O-N 3.37Å; D634-S636 PolarHBondContact O-N 3.49Å |
| 635 | P | 32.3 | Very low | 31.6 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -8.2 | 176.5 | -21.3 | 34.2 | 0 | 0 | 0 | 114.5 | | |
| 636 | S | 37.1 | Very low | 32.2 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | -1.9 | -160.9 | 46.9 | 0 | 0 | 0 | 0 | 116.1 | D634 | D634-S636 PolarHBondContact O-N 3.49Š|
| 637 | F | 34.8 | Very low | 32.6 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 51% | 0.509 | 68% | 0.681 | S | S | . | * | | | trans | -136.8 | 68.4 | -175.3 | -70.1 | -69.6 | 0 | 0 | 0 | 115.2 | | |
| 638 | I | 29.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | | | trans | -87.7 | 127.2 | 154.3 | -64.1 | 179.9 | 0 | 0 | 0 | 108.4 | N640 | I638-N640 PolarHBondContact O-N 2.92Š|
| 639 | F | 27.9 | Very low | 33.5 | Very low | 174 Ų | 174 | 125.1 Ų | 125.1 | 76% | 0.763 | 66% | 0.663 | S | S | * | * | | | trans | -75.3 | 101.1 | 169.2 | -106.5 | -97.7 | 0 | 0 | 0 | 108.8 | P641 | F639-P641 WeakPolarHBondContact O-CD 3.36Š|
| 640 | N | 29 | Very low | 34 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | | | trans | -82.2 | 122.5 | 167.6 | -102.7 | -6.1 | 0 | 0 | 0 | 109.9 | I638 T642 | I638-N640 PolarHBondContact O-N 2.92Å; N640-T642 VanDerWaalsContact C-N 3.27Å; N640-T642 HydrophobicContact CB-CG2 4.31Å; N640-T642 PolarHBondContact O-N 3.04Å |
| 641 | P | 29.4 | Very low | 34.3 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 85% | 0.851 | 67% | 0.672 | S | S | * | * | | | trans | -80.4 | 75 | 173.2 | 33.2 | -34 | 0 | 0 | 0 | 110.7 | F639 | F639-P641 WeakPolarHBondContact O-CD 3.36Š|
| 642 | T | 30.2 | Very low | 34.4 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | | | trans | -116.8 | 129.3 | 176.1 | 49.2 | 0 | 0 | 0 | 0 | 108.4 | N640 | N640-T642 VanDerWaalsContact C-N 3.27Å; N640-T642 HydrophobicContact CB-CG2 4.31Å; N640-T642 PolarHBondContact O-N 3.04Å |
| 643 | N | 30.3 | Very low | 34.6 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | S | Bend | cis | -131.6 | 148.9 | 20.9 | -56.6 | -55.7 | 0 | 0 | 0 | 112.8 | | |
| 644 | N | 31.7 | Very low | 34.5 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 165.4 | -14.5 | 138.4 | -91.1 | -1.2 | 0 | 0 | 0 | 114.6 | N646 | N644-N646 PolarHBondContact O-N 3.37Š|
| 645 | L | 34 | Very low | 34.4 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 81% | 0.806 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -10.7 | -172.1 | -79 | 164.9 | 0 | 0 | 0 | 115.9 | | |
| 646 | N | 37.3 | Very low | 34.6 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 2.9 | -173.1 | -74 | -0.3 | 0 | 0 | 0 | 115.3 | N644 | N644-N646 PolarHBondContact O-N 3.37Š|
| 647 | E | 38.4 | Very low | 34.4 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -100.4 | -11.3 | 179.5 | -164.3 | 151.1 | -137.8 | 0 | 0 | 113.5 | | |
| 648 | I | 36.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 50% | 0.497 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -91.5 | -38 | -176.5 | -68.3 | 174 | 0 | 0 | 0 | 112.7 | K650 H651 W666 | I648-K650 VanDerWaalsContact C-N 3.26Å; I648-K650 PolarHBondContact O-N 2.99Å; I648-H651 PolarHBondContact O-N 3.07Å; I648-W666 HydrophobicContact CD1-CH2 4.43Å; I648-W666 HydrophobicContact CG2-CH2 4.05Å |
| 649 | D | 37.1 | Very low | 34.8 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -84.3 | 8.9 | -169.4 | -146.1 | 28.9 | 0 | 0 | 0 | 115 | H651 | D649-H651 VanDerWaalsContact C-N 3.3Š|
| 650 | K | 40.7 | Very low | 35.2 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 74% | 0.735 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -82.9 | -2.7 | 167.7 | -92.2 | 171.7 | -178 | 148.3 | 0 | 114 | I648 | I648-K650 VanDerWaalsContact C-N 3.26Å; I648-K650 PolarHBondContact O-N 2.99Å |
| 651 | H | 38.9 | Very low | 35.4 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -103.8 | 3.7 | 174.6 | -94.5 | -73.7 | 0 | 0 | 0 | 114.9 | I648 D649 | I648-H651 PolarHBondContact O-N 3.07Å; D649-H651 VanDerWaalsContact C-N 3.3Å |
| 652 | L | 36.2 | Very low | 35.9 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | | | trans | -115.4 | 28.7 | -177.7 | -72.4 | 172.8 | 0 | 0 | 0 | 115.1 | I654 | L652-I654 PolarHBondContact O-N 3.44Š|
| 653 | Q | 39 | Very low | 36 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | -86.2 | 59.1 | 155.6 | -69.1 | -166.4 | 8.4 | 0 | 0 | 111.4 | | |
| 654 | I | 36.4 | Very low | 36.2 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | -102.6 | 111.1 | 168.3 | -62.6 | -176.9 | 0 | 0 | 0 | 108.8 | L652 | L652-I654 PolarHBondContact O-N 3.44Š|
| 655 | Q | 35.6 | Very low | 36.7 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | trans | -75.3 | 142.9 | 173.7 | -60 | 175.9 | 1.8 | 0 | 0 | 109.8 | | |
| 656 | S | 36.6 | Very low | 36.9 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 64.5 | 119.3 | 177.1 | 74.3 | 0 | 0 | 0 | 0 | 116.9 | Q658 | S656-Q658 PolarHBondContact O-N 2.91Š|
| 657 | P | 33.7 | Very low | 37.1 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -95 | 90.4 | 179.1 | 35.1 | -32 | 0 | 0 | 0 | 112.2 | | |
| 658 | Q | 37.1 | Very low | 37.2 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | | | trans | -134.9 | -15.8 | 169.5 | -72.6 | -152.1 | -67.5 | 0 | 0 | 116.9 | S656 I660 | S656-Q658 PolarHBondContact O-N 2.91Å; Q658-I660 PolarHBondContact O-N 3.16Å |
| 659 | E | 35.4 | Very low | 37.1 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 95% | 0.953 | 73% | 0.73 | S | S | * | * | | | trans | -92.9 | 98.1 | 177.7 | -63.1 | -163.4 | 156.3 | 0 | 0 | 111.4 | | |
| 660 | I | 36.2 | Very low | 37.4 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | | | trans | -89.1 | 158.2 | 178.7 | -69.1 | 172.2 | 0 | 0 | 0 | 109.8 | Q658 | Q658-I660 PolarHBondContact O-N 3.16Š|
| 661 | S | 33 | Very low | 37.7 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 50% | 0.503 | 71% | 0.713 | S | S | . | * | | | trans | 60.4 | 100.9 | 168.1 | 53 | 0 | 0 | 0 | 0 | 116.9 | | |
| 662 | N | 38.9 | Very low | 37.8 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | | | trans | -173.1 | -11.8 | 134.7 | -96.3 | -18.7 | 0 | 0 | 0 | 114.8 | | |
| 663 | Y | 33.1 | Very low | 38.1 | Very low | 216 Ų | 216 | 137.5 Ų | 137.5 | 85% | 0.847 | 71% | 0.712 | S | S | * | * | | | trans | -91.7 | 102.7 | 175 | -88.4 | -92.2 | 0 | 0 | 0 | 112.7 | | |
| 664 | S | 35.1 | Very low | 38.3 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | | | trans | -103.5 | 5 | -178.4 | 54.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 665 | S | 42.4 | Very low | 38.6 | Very low | 62 Ų | 62 | 137.1 Ų | 137.1 | 43% | 0.434 | 71% | 0.707 | S | S | . | * | G | 310 helix | trans | -87.6 | -15.2 | -166.9 | 50.5 | 0 | 0 | 0 | 0 | 116.6 | S667 | S665-S667 VanDerWaalsContact C-N 3.33Å; S665-S667 PolarHBondContact O-N 3.18Å |
| 666 | W | 36.9 | Very low | 38.7 | Very low | 189 Ų | 189 | 136 Ų | 136 | 72% | 0.716 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -78.3 | -5.8 | -170.7 | -94.8 | 71.3 | 0 | 0 | 0 | 116.1 | I648 | I648-W666 HydrophobicContact CD1-CH2 4.43Å; I648-W666 HydrophobicContact CG2-CH2 4.05Å |
| 667 | S | 42.1 | Very low | 38.9 | Very low | 76 Ų | 76 | 137 Ų | 137 | 53% | 0.531 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -83.3 | -17.3 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | S665 T671 | S665-S667 VanDerWaalsContact C-N 3.33Å; S665-S667 PolarHBondContact O-N 3.18Å; S667-T671 WeakPolarHBondContact O-CG2 3.4Å; S667-T671 PolarHBondContact O-OG1 2.89Å |
| 668 | Q | 40.8 | Very low | 39 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -85.1 | -29.1 | -172.9 | -66.4 | 179.4 | -17 | 0 | 0 | 113.3 | T671 N672 | Q668-T671 PolarHBondContact O-OG1 3.24Å; Q668-T671 VanDerWaalsContact O-OG1 3.07Å; Q668-N672 PolarHBondContact O-OD1 3.43Å |
| 669 | Y | 34.5 | Very low | 39.1 | Very low | 209 Ų | 209 | 133.9 Ų | 133.9 | 82% | 0.82 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -75.3 | -26.1 | -174.8 | -147.2 | -94.1 | 0 | 0 | 0 | 113.3 | | |
| 670 | T | 43.6 | Very low | 39 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -91.2 | -16.5 | -179.4 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 671 | T | 45.2 | Very low | 39.1 | Very low | 64 Ų | 64 | 133.6 Ų | 133.6 | 39% | 0.393 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -85 | -11.1 | 180 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | S667 Q668 | S667-T671 WeakPolarHBondContact O-CG2 3.4Å; S667-T671 PolarHBondContact O-OG1 2.89Å; Q668-T671 PolarHBondContact O-OG1 3.24Å; Q668-T671 VanDerWaalsContact O-OG1 3.07Å |
| 672 | N | 42.4 | Very low | 39 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 60% | 0.599 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -99.7 | 3.1 | -170.3 | -65.3 | 3.2 | 0 | 0 | 0 | 113.9 | Q668 | Q668-N672 PolarHBondContact O-OD1 3.43Š|
| 673 | V | 42.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -111.2 | 12.1 | 178.2 | -165.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 674 | M | 43.4 | Very low | 39 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -135.4 | 20.9 | -174.7 | -78.7 | -169.9 | 150.8 | 0 | 0 | 114.2 | | |
| 675 | K | 42.5 | Very low | 39.2 | Very low | 146 Ų | 146 | 135 Ų | 135 | 64% | 0.635 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -112.2 | -23.6 | -175.9 | -73 | -174.4 | 176 | -179.3 | 0 | 116 | V677 | K675-V677 VanDerWaalsContact C-N 3.28Å; K675-V677 PolarHBondContact O-N 2.93Å; K675-V677 VanDerWaalsContact O-N 3.1Å |
| 676 | D | 37.4 | Very low | 39 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | | | trans | -92.6 | 45.1 | -170.9 | -55.5 | -15 | 0 | 0 | 0 | 113.1 | | |
| 677 | V | 40.1 | Very low | 39.1 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | | | trans | -135.7 | 76.5 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | K675 V679 | K675-V677 VanDerWaalsContact C-N 3.28Å; K675-V677 PolarHBondContact O-N 2.93Å; K675-V677 VanDerWaalsContact O-N 3.1Å; V677-V679 HydrophobicContact CG1-CG2 4.2Å; V677-V679 PolarHBondContact O-N 3.19Å |
| 678 | D | 35.7 | Very low | 38.8 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | | | trans | -63.9 | 99.4 | 169.5 | -79.6 | -42.3 | 0 | 0 | 0 | 110.8 | | |
| 679 | V | 40 | Very low | 38.8 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 62% | 0.624 | 74% | 0.739 | S | S | * | * | | | trans | -102.1 | 98.2 | 159.2 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | V677 R681 | V677-V679 HydrophobicContact CG1-CG2 4.2Å; V677-V679 PolarHBondContact O-N 3.19Å; V679-R681 HydrophobicContact CG1-CG 4.14Å; V679-R681 PolarHBondContact O-N 2.95Å |
| 680 | T | 33.2 | Very low | 38.9 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | -59.7 | 97.1 | 169.5 | 42.7 | 0 | 0 | 0 | 0 | 110 | E682 | T680-E682 PolarHBondContact O-N 3.33Š|
| 681 | R | 37.5 | Very low | 38.8 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -92.7 | 85.4 | 170.5 | -75.9 | -169.2 | 170.8 | -165.6 | -2.6 | 109.8 | V679 | V679-R681 HydrophobicContact CG1-CG 4.14Å; V679-R681 PolarHBondContact O-N 2.95Å |
| 682 | E | 32.8 | Very low | 38.3 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | trans | -58.5 | 135.5 | 159.8 | -70.4 | -58.6 | 147.7 | 0 | 0 | 109.9 | T680 I684 | T680-E682 PolarHBondContact O-N 3.33Å; E682-I684 PolarHBondContact O-N 3.4Å |
| 683 | P | 36.8 | Very low | 38.2 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | trans | -78 | 101.7 | 179.4 | 30.5 | -32.6 | 0 | 0 | 0 | 110.7 | D685 | P683-D685 VanDerWaalsContact C-N 3.3Å; P683-D685 PolarHBondContact O-N 2.76Å |
| 684 | I | 34.7 | Very low | 38.2 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | trans | -80.4 | 80.3 | 172.8 | -52.3 | 178.7 | 0 | 0 | 0 | 109.5 | E682 | E682-I684 PolarHBondContact O-N 3.4Š|
| 685 | D | 38.1 | Very low | 38.2 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -94.6 | 148.5 | 160.6 | -86.9 | -50.1 | 0 | 0 | 0 | 110.1 | P683 | P683-D685 VanDerWaalsContact C-N 3.3Å; P683-D685 PolarHBondContact O-N 2.76Å |
| 686 | S | 39.7 | Very low | 38.1 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | 71.4 | 98.9 | -175.2 | -43.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 687 | I | 37.6 | Very low | 38.2 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | | -171.8 | 125.2 | 107.3 | -90.2 | 152.1 | 0 | 0 | 0 | 108.4 | | |
| 688 | H | 36.8 | Very low | 38.5 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | | | trans | -117.5 | 117.1 | 176.5 | -126.4 | -88.9 | 0 | 0 | 0 | 108.1 | | |
| 689 | S | 39.7 | Very low | 38.9 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -157.6 | 153.2 | 166.6 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 690 | E | 37.3 | Very low | 39.1 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -93.1 | 135.1 | -158.8 | -53.9 | 179.6 | 116.6 | 0 | 0 | 114.5 | | |
| 691 | V | 41.2 | Very low | 39.4 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | | | trans | -137.2 | 131.2 | 155.5 | -175.8 | 0 | 0 | 0 | 0 | 110 | I693 | V691-I693 PolarHBondContact O-N 3.02Š|
| 692 | K | 35.5 | Very low | 40.3 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -72.2 | 111.2 | -176.6 | -69.4 | 170.1 | 179 | 167.4 | 0 | 112.1 | S694 | K692-S694 PolarHBondContact O-N 3.01Š|
| 693 | I | 39.1 | Very low | 40.7 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | | | trans | -88 | 88.4 | 170.5 | -55.9 | -178.7 | 0 | 0 | 0 | 110.3 | V691 | V691-I693 PolarHBondContact O-N 3.02Š|
| 694 | S | 42.8 | Very low | 41 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | trans | -90.1 | 108.2 | 171.1 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | K692 | K692-S694 PolarHBondContact O-N 3.01Š|
| 695 | K | 43.2 | Very low | 41.8 | Very low | 201 Ų | 201 | 141 Ų | 141 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | 55.7 | 88.8 | 161.6 | -58.7 | 177 | -178.9 | 174.7 | 0 | 117.2 | | |
| 696 | L | 40.7 | Very low | 42.3 | Very low | 139 Ų | 139 | 140 Ų | 140 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | | | trans | -141.3 | 91.3 | 146 | -161 | 68.8 | 0 | 0 | 0 | 112.1 | N698 | L696-N698 VanDerWaalsContact C-N 3.26Å; L696-N698 WeakPolarHBondContact CD2-ND2 3.33Å; L696-N698 PolarHBondContact O-N 3.49Å |
| 697 | S | 40.2 | Very low | 42.9 | Very low | 119 Ų | 119 | 146 Ų | 146 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -78.5 | 69.5 | 178.5 | 60 | 0 | 0 | 0 | 0 | 111.8 | P699 | S697-P699 WeakPolarHBondContact O-CD 3.45Š|
| 698 | N | 45.8 | Very low | 43.8 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -80.5 | 115 | 168.9 | -77.8 | -17.3 | 0 | 0 | 0 | 109.2 | L696 L700 | L696-N698 VanDerWaalsContact C-N 3.26Å; L696-N698 WeakPolarHBondContact CD2-ND2 3.33Å; L696-N698 PolarHBondContact O-N 3.49Å; N698-L700 PolarHBondContact O-N 3.17Å |
| 699 | P | 44.3 | Very low | 45 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -65.7 | 126.3 | 176.9 | 27.5 | -33.3 | 0 | 0 | 0 | 109.4 | S697 N701 | S697-P699 WeakPolarHBondContact O-CD 3.45Å; P699-N701 PolarHBondContact O-N 2.86Å |
| 700 | L | 43.9 | Very low | 47 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -55.8 | 123.2 | -177.3 | -71 | 172.9 | 0 | 0 | 0 | 110.6 | N698 I702 | N698-L700 PolarHBondContact O-N 3.17Å; L700-I702 VanDerWaalsContact C-N 3.26Å; L700-I702 PolarHBondContact O-N 3.22Å |
| 701 | N | 40.6 | Very low | 49.5 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | | | trans | -75.3 | 78.1 | -179.9 | -176 | 18 | 0 | 0 | 0 | 109.6 | P699 P703 | P699-N701 PolarHBondContact O-N 2.86Å; N701-P703 WeakPolarHBondContact O-CD 3.24Å; N701-P703 VanDerWaalsContact O-N 3.16Å |
| 702 | I | 55.5 | Low | 52.1 | Low | 120 Ų | 120 | 130.8 Ų | 130.8 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | | | trans | -60 | 115.7 | 175.8 | -55.9 | 173.8 | 0 | 0 | 0 | 107.9 | L700 N704 | L700-I702 VanDerWaalsContact C-N 3.26Å; L700-I702 PolarHBondContact O-N 3.22Å; I702-N704 WeakPolarHBondContact CG2-OD1 3.18Å; I702-N704 PolarHBondContact O-N 3.1Å |
| 703 | P | 42.2 | Very low | 55 | Low | 108 Ų | 108 | 121.3 Ų | 121.3 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | | | trans | -75.2 | 83.4 | 175.7 | 32 | -32.8 | 0 | 0 | 0 | 108.5 | N701 S705 | N701-P703 WeakPolarHBondContact O-CD 3.24Å; N701-P703 VanDerWaalsContact O-N 3.16Å; P703-S705 PolarHBondContact O-N 3.14Å |
| 704 | N | 41.6 | Very low | 57.7 | Low | 154 Ų | 154 | 116.1 Ų | 116.1 | 82% | 0.824 | 64% | 0.637 | S | S | * | * | | | trans | -72.3 | 53.1 | 170.5 | -91.1 | 7.3 | 0 | 0 | 0 | 111.6 | I702 | I702-N704 WeakPolarHBondContact CG2-OD1 3.18Å; I702-N704 PolarHBondContact O-N 3.1Å |
| 705 | S | 51.3 | Low | 60.2 | Low | 47 Ų | 47 | 112.5 Ų | 112.5 | 33% | 0.329 | 61% | 0.61 | S | S | . | * | | | trans | -140.1 | 100.8 | 156.7 | -177.4 | 0 | 0 | 0 | 0 | 104.4 | P703 R707 | P703-S705 PolarHBondContact O-N 3.14Å; S705-R707 PolarHBondContact O-N 2.89Å |
| 706 | T | 48.8 | Very low | 62.8 | Low | 121 Ų | 121 | 103.4 Ų | 103.4 | 74% | 0.742 | 57% | 0.571 | S | S | * | * | | | trans | -52.5 | 113 | 153.5 | 37.1 | 0 | 0 | 0 | 0 | 105.2 | R708 | T706-R708 PolarHBondContact O-N 3.37Š|
| 707 | R | 52 | Low | 65.3 | Low | 233 Ų | 233 | 102.3 Ų | 102.3 | 88% | 0.879 | 57% | 0.566 | S | S | * | * | | | trans | -65.5 | 91.5 | -175.8 | -62.8 | -170.4 | -162.4 | -176.2 | 7.9 | 107.7 | S705 S709 | S705-R707 PolarHBondContact O-N 2.89Å; R707-S709 PolarHBondContact O-N 3.43Å |
| 708 | R | 56.4 | Low | 67.9 | Low | 131 Ų | 131 | 97.7 Ų | 97.7 | 49% | 0.494 | 53% | 0.533 | S | S | . | . | | | trans | -69.1 | 77.4 | 164.9 | -66.6 | -179.4 | 176.4 | -177.4 | -3.3 | 106.7 | T706 G710 Q711 | T706-R708 PolarHBondContact O-N 3.37Å; R708-G710 PolarHBondContact O-N 3.19Å; R708-Q711 HydrophobicContact CB-CG 3.94Å; R708-Q711 VanDerWaalsContact NH1-OE1 3.08Å; R708-Q711 PolarHBondContact O-N 2.88Å |
| 709 | S | 62.4 | Low | 70.2 | Confident | 120 Ų | 120 | 95.5 Ų | 95.5 | 84% | 0.839 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 109.1 | -177.3 | 42.5 | 0 | 0 | 0 | 0 | 109.4 | R707 | R707-S709 PolarHBondContact O-N 3.43Š|
| 710 | G | 82.4 | Confident | 72.5 | Confident | 56 Ų | 56 | 91.9 Ų | 91.9 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.6 | -13.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R708 F712 | R708-G710 PolarHBondContact O-N 3.19Å; G710-F712 WeakPolarHBondContact O-CD2 3.41Å |
| 711 | Q | 89.9 | Confident | 74.8 | Confident | 62 Ų | 62 | 85 Ų | 85 | 29% | 0.29 | 47% | 0.471 | S | S | . | . | | | trans | -84.1 | 119.3 | 174.8 | -59.3 | -148.7 | -73 | 0 | 0 | 111.8 | R708 W724 | R708-Q711 HydrophobicContact CB-CG 3.94Å; R708-Q711 VanDerWaalsContact NH1-OE1 3.08Å; R708-Q711 PolarHBondContact O-N 2.88Å; Q711-W724 HydrophobicContact CB-CH2 4.22Å; Q711-W724 HydrophobicContact CB-CZ2 3.9Å; Q711-W724 VanDerWaalsContact O-CH2 3.31Å; Q711-W724 WeakPolarHBondContact O-CH2 3.33Å; Q711-W724 WeakPolarHBondContact O-CZ2 3.46Å |
| 712 | F | 95.2 | Very high | 77.3 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | | | trans | -128.3 | 151.6 | 176.6 | -56.5 | -86.5 | 0 | 0 | 0 | 110.1 | G710 | G710-F712 WeakPolarHBondContact O-CD2 3.41Š|
| 713 | C | 96.7 | Very high | 79.2 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 45% | 0.452 | C | S | . | . | | | trans | -83.7 | 112.6 | 177.8 | 171 | 0 | 0 | 0 | 0 | 111.8 | N715 C716 N717 T718 W724 P732 C734 | C713-N715 PolarHBondContact O-N 2.96Å; C713-C716 PolarHBondContact O-N 3.37Å; C713-N717 WeakPolarHBondContact O-CA 3.29Å; C713-N717 PolarHBondContact O-N 3.23Å; C713-N717 PolarHBondContact O-OD1 3.44Å; C713-T718 HydrophobicContact CB-CG2 3.79Å; C713-T718 PolarHBondContact N-O 2.83Å; C713-W724 HydrophobicContact CB-CZ3 4.12Å; C713-P732 WeakPolarHBondContact CA-O 3.21Å; C713-C734 HydrophobicContact CB-CB 3.8Å; C713-C734 PolarHBondContact SG-N 3.18Å |
| 714 | T | 96.2 | Very high | 81.7 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 36% | 0.362 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.8 | -173.6 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | E731 P732 | T714-E731 WeakPolarHBondContact CB-OE2 3.48Å; T714-E731 HydrophobicContact CG2-CB 3.98Å; T714-E731 HydrophobicContact CG2-CG 4.38Å; T714-E731 WeakPolarHBondContact CG2-OE2 3.48Å; T714-E731 PolarHBondContact OG1-OE2 3.19Å; T714-P732 PolarHBondContact N-O 3.38Å; T714-P732 VanDerWaalsContact N-O 3.16Å |
| 715 | N | 95.8 | Very high | 84.3 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -18 | 176.6 | 165.1 | -105.8 | 0 | 0 | 0 | 116.2 | C713 C737 R748 | C713-N715 PolarHBondContact O-N 2.96Å; N715-C737 HydrophobicContact CB-CB 4.32Å; N715-C737 VanDerWaalsContact OD1-CB 3.28Å; N715-C737 WeakPolarHBondContact OD1-CB 3.48Å; N715-C737 PolarHBondContact OD1-SG 3.28Å; N715-R748 PolarHBondContact ND2-O 3.4Å; N715-R748 VanDerWaalsContact ND2-O 3.17Å; N715-R748 WeakPolarHBondContact OD1-CB 3.28Å; N715-R748 PolarHBondContact OD1-O 2.75Å |
| 716 | C | 96 | Very high | 86.4 | Confident | 10 Ų | 10 | 78.4 Ų | 78.4 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -149.9 | 8.1 | -176.9 | 79.8 | 0 | 0 | 0 | 0 | 116.4 | C713 T718 C737 K753 | C713-C716 PolarHBondContact O-N 3.37Å; C716-T718 PolarHBondContact O-N 2.98Å; C716-C737 PolarHBondContact SG-SG 3.43Å; C716-K753 PolarHBondContact O-NZ 3.4Å |
| 717 | N | 95.1 | Very high | 88.5 | Confident | 115 Ų | 115 | 74.6 Ų | 74.6 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | | | trans | 52.5 | 27.8 | 174.8 | -56.2 | 3.1 | 0 | 0 | 0 | 114.4 | C713 | C713-N717 WeakPolarHBondContact O-CA 3.29Å; C713-N717 PolarHBondContact O-N 3.23Å; C713-N717 PolarHBondContact O-OD1 3.44Å |
| 718 | T | 93.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 14% | 0.135 | 38% | 0.378 | C | S | . | . | | | trans | -76.6 | 132.9 | 167.5 | -171 | 0 | 0 | 0 | 0 | 110.5 | C713 C716 A720 C734 | C713-T718 HydrophobicContact CB-CG2 3.79Å; C713-T718 PolarHBondContact N-O 2.83Å; C716-T718 PolarHBondContact O-N 2.98Å; T718-A720 WeakPolarHBondContact CG2-O 3.4Å; T718-A720 PolarHBondContact OG1-N 2.9Å; T718-A720 VanDerWaalsContact OG1-N 3.13Å; T718-A720 PolarHBondContact OG1-O 3.21Å; T718-C734 HydrophobicContact CG2-CB 3.53Å |
| 719 | S | 94.3 | Very high | 92.3 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 51% | 0.51 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -87.4 | -13.1 | 166.7 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 720 | A | 92.2 | Very high | 93.7 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | | | trans | -110.8 | 129.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T718 I757 | T718-A720 WeakPolarHBondContact CG2-O 3.4Å; T718-A720 PolarHBondContact OG1-N 2.9Å; T718-A720 VanDerWaalsContact OG1-N 3.13Å; T718-A720 PolarHBondContact OG1-O 3.21Å; A720-I757 HydrophobicContact CB-CD1 4.1Å |
| 721 | T | 93.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 10% | 0.104 | 35% | 0.35 | C | S | . | . | | | trans | -156.4 | 163.1 | 172.9 | -163.7 | 0 | 0 | 0 | 0 | 112.4 | L723 W724 C734 N735 | T721-L723 VanDerWaalsContact CG2-C 3.5Å; T721-L723 VanDerWaalsContact CG2-O 3.29Å; T721-L723 WeakPolarHBondContact CG2-O 3.43Å; T721-L723 PolarHBondContact OG1-O 2.91Å; T721-W724 HydrophobicContact CG2-CD2 3.61Å; T721-W724 HydrophobicContact CG2-CE3 4.04Å; T721-W724 HydrophobicContact CG2-CG 3.93Å; T721-W724 HydrophobicContact CG2-CH2 4.44Å; T721-W724 HydrophobicContact CG2-CZ2 4.06Å; T721-W724 HydrophobicContact CG2-CZ3 4.43Å; T721-C734 HydrophobicContact CG2-CB 4.26Å; T721-C734 WeakPolarHBondContact OG1-CB 3.41Å; T721-N735 PolarHBondContact OG1-N 3.33Å; T721-N735 VanDerWaalsContact OG1-N 3.13Å |
| 722 | T | 92.6 | Very high | 94.6 | Very high | 97 Ų | 97 | 65.2 Ų | 65.2 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -81.7 | -18.6 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | N735 I757 | T722-N735 PolarHBondContact OG1-ND2 2.91Å; T722-I757 HydrophobicContact CG2-CG2 3.51Å |
| 723 | L | 94.2 | Very high | 94.7 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 45% | 0.445 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -162.3 | 129.2 | 178.8 | 173.5 | 63.4 | 0 | 0 | 0 | 108.1 | T721 R725 N735 | T721-L723 VanDerWaalsContact CG2-C 3.5Å; T721-L723 VanDerWaalsContact CG2-O 3.29Å; T721-L723 WeakPolarHBondContact CG2-O 3.43Å; T721-L723 PolarHBondContact OG1-O 2.91Å; L723-R725 HydrophobicContact CD2-CG 4.49Å; L723-R725 HydrophobicContact CG-CG 4.47Å; L723-N735 HydrophobicContact CB-CB 4.04Å; L723-N735 WeakPolarHBondContact O-CA 3.23Å; L723-N735 WeakPolarHBondContact O-CB 3.44Å; L723-N735 PolarHBondContact O-N 3.23Å |
| 724 | W | 95.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 134.9 | 166.4 | -68.2 | 104.4 | 0 | 0 | 0 | 109.4 | Q711 C713 T721 P732 | Q711-W724 HydrophobicContact CB-CH2 4.22Å; Q711-W724 HydrophobicContact CB-CZ2 3.9Å; Q711-W724 VanDerWaalsContact O-CH2 3.31Å; Q711-W724 WeakPolarHBondContact O-CH2 3.33Å; Q711-W724 WeakPolarHBondContact O-CZ2 3.46Å; C713-W724 HydrophobicContact CB-CZ3 4.12Å; T721-W724 HydrophobicContact CG2-CD2 3.61Å; T721-W724 HydrophobicContact CG2-CE3 4.04Å; T721-W724 HydrophobicContact CG2-CG 3.93Å; T721-W724 HydrophobicContact CG2-CH2 4.44Å; T721-W724 HydrophobicContact CG2-CZ2 4.06Å; T721-W724 HydrophobicContact CG2-CZ3 4.43Å; W724-P732 HydrophobicContact CE3-CB 4.37Å |
| 725 | R | 95.5 | Very high | 94.7 | Very high | 86 Ų | 86 | 59 Ų | 59 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 174.1 | 173.3 | -66.8 | -177.9 | 175.6 | -76.1 | -7.7 | 108.6 | L723 V733 N735 | L723-R725 HydrophobicContact CD2-CG 4.49Å; L723-R725 HydrophobicContact CG-CG 4.47Å; R725-V733 HydrophobicContact CB-CG2 3.9Å; R725-V733 PolarHBondContact N-O 3.32Å; R725-V733 PolarHBondContact O-N 2.72Å; R725-N735 PolarHBondContact NE-OD1 3.26Å; R725-N735 PolarHBondContact NH2-OD1 3.37Å |
| 726 | R | 95.5 | Very high | 94.8 | Very high | 121 Ų | 121 | 59.8 Ų | 59.8 | 46% | 0.457 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 156.4 | 164.7 | -65.5 | 176.7 | -173.1 | -95.3 | 11.2 | 111.4 | G730 E731 | R726-G730 VanDerWaalsContact CD-O 3.32Å; R726-G730 WeakPolarHBondContact CD-O 3.36Å; R726-G730 WeakPolarHBondContact CG-O 3.49Å; R726-G730 PolarHBondContact NH1-O 2.89Å; R726-E731 WeakPolarHBondContact CA-O 3.43Å |
| 727 | N | 94.2 | Very high | 94.8 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 22% | 0.219 | 33% | 0.327 | C | S | . | . | | | trans | -87.6 | -174.2 | 165 | 74.3 | -7.2 | 0 | 0 | 0 | 110.2 | E729 G730 E731 V733 | N727-E729 PolarHBondContact ND2-OE2 3.2Å; N727-E729 PolarHBondContact O-N 3.12Å; N727-E729 WeakPolarHBondContact OD1-CA 3.5Å; N727-E729 WeakPolarHBondContact OD1-CB 3.42Å; N727-E729 PolarHBondContact OD1-N 3.05Å; N727-G730 PolarHBondContact O-N 2.95Å; N727-G730 VanDerWaalsContact O-N 3.13Å; N727-G730 PolarHBondContact OD1-N 3.37Å; N727-E731 PolarHBondContact N-O 3.31Å; N727-E731 VanDerWaalsContact N-O 3.14Å; N727-E731 PolarHBondContact ND2-OE2 3.43Å; N727-E731 WeakPolarHBondContact OD1-CB 3.44Å; N727-E731 PolarHBondContact OD1-N 3.35Å; N727-V733 HydrophobicContact CB-CG1 4.16Å |
| 728 | T | 92.8 | Very high | 94.9 | Very high | 113 Ų | 113 | 54.7 Ų | 54.7 | 69% | 0.693 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.3 | 176.8 | 38.5 | 0 | 0 | 0 | 0 | 114.2 | G730 | T728-G730 VanDerWaalsContact C-N 3.33Š|
| 729 | E | 94.1 | Very high | 95 | Very high | 147 Ų | 147 | 57.6 Ų | 57.6 | 69% | 0.687 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -2.1 | 175.5 | -61.4 | 130.6 | -157.3 | 0 | 0 | 112.4 | N727 E731 | N727-E729 PolarHBondContact ND2-OE2 3.2Å; N727-E729 PolarHBondContact O-N 3.12Å; N727-E729 WeakPolarHBondContact OD1-CA 3.5Å; N727-E729 WeakPolarHBondContact OD1-CB 3.42Å; N727-E729 PolarHBondContact OD1-N 3.05Å; E729-E731 HydrophobicContact CB-CG 4.29Å |
| 730 | G | 93.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 56 Ų | 56 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | | | trans | 84.7 | -1.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R726 N727 T728 | R726-G730 VanDerWaalsContact CD-O 3.32Å; R726-G730 WeakPolarHBondContact CD-O 3.36Å; R726-G730 WeakPolarHBondContact CG-O 3.49Å; R726-G730 PolarHBondContact NH1-O 2.89Å; N727-G730 PolarHBondContact O-N 2.95Å; N727-G730 VanDerWaalsContact O-N 3.13Å; N727-G730 PolarHBondContact OD1-N 3.37Å; T728-G730 VanDerWaalsContact C-N 3.33Å |
| 731 | E | 94.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 36% | 0.36 | 30% | 0.301 | S | S | . | . | | | trans | -64.1 | 148.1 | -179.9 | -60.9 | -162.1 | 127 | 0 | 0 | 113.4 | T714 R726 N727 E729 V733 | T714-E731 WeakPolarHBondContact CB-OE2 3.48Å; T714-E731 HydrophobicContact CG2-CB 3.98Å; T714-E731 HydrophobicContact CG2-CG 4.38Å; T714-E731 WeakPolarHBondContact CG2-OE2 3.48Å; T714-E731 PolarHBondContact OG1-OE2 3.19Å; R726-E731 WeakPolarHBondContact CA-O 3.43Å; N727-E731 PolarHBondContact N-O 3.31Å; N727-E731 VanDerWaalsContact N-O 3.14Å; N727-E731 PolarHBondContact ND2-OE2 3.43Å; N727-E731 WeakPolarHBondContact OD1-CB 3.44Å; N727-E731 PolarHBondContact OD1-N 3.35Å; E729-E731 HydrophobicContact CB-CG 4.29Å; E731-V733 PolarHBondContact O-N 2.96Å |
| 732 | P | 96.5 | Very high | 95.5 | Very high | 40 Ų | 40 | 63.7 Ų | 63.7 | 26% | 0.26 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 119.3 | 174.7 | 29.5 | -34.1 | 0 | 0 | 0 | 112.4 | C713 T714 W724 | C713-P732 WeakPolarHBondContact CA-O 3.21Å; T714-P732 PolarHBondContact N-O 3.38Å; T714-P732 VanDerWaalsContact N-O 3.16Å; W724-P732 HydrophobicContact CE3-CB 4.37Å |
| 733 | V | 97 | Very high | 95.7 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.7 | 171.8 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | R725 N727 E731 | R725-V733 HydrophobicContact CB-CG2 3.9Å; R725-V733 PolarHBondContact N-O 3.32Å; R725-V733 PolarHBondContact O-N 2.72Å; N727-V733 HydrophobicContact CB-CG1 4.16Å; E731-V733 PolarHBondContact O-N 2.96Å |
| 734 | C | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 156.2 | 178.4 | 82 | 0 | 0 | 0 | 0 | 111.4 | C713 T718 T721 A736 C737 G738 | C713-C734 HydrophobicContact CB-CB 3.8Å; C713-C734 PolarHBondContact SG-N 3.18Å; T718-C734 HydrophobicContact CG2-CB 3.53Å; T721-C734 HydrophobicContact CG2-CB 4.26Å; T721-C734 WeakPolarHBondContact OG1-CB 3.41Å; C734-A736 PolarHBondContact O-N 3.3Å; C734-A736 VanDerWaalsContact O-N 3.07Å; C734-C737 PolarHBondContact O-N 2.91Å; C734-C737 PolarHBondContact SG-SG 3.5Å; C734-G738 PolarHBondContact O-N 3.45Å |
| 735 | N | 96.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 70.7 Ų | 70.7 | 16% | 0.16 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -48.8 | -41.8 | -179.2 | -166.3 | 18.5 | 0 | 0 | 0 | 113.1 | T721 T722 L723 R725 L739 | T721-N735 PolarHBondContact OG1-N 3.33Å; T721-N735 VanDerWaalsContact OG1-N 3.13Å; T722-N735 PolarHBondContact OG1-ND2 2.91Å; L723-N735 HydrophobicContact CB-CB 4.04Å; L723-N735 WeakPolarHBondContact O-CA 3.23Å; L723-N735 WeakPolarHBondContact O-CB 3.44Å; L723-N735 PolarHBondContact O-N 3.23Å; R725-N735 PolarHBondContact NE-OD1 3.26Å; R725-N735 PolarHBondContact NH2-OD1 3.37Å; N735-L739 VanDerWaalsContact O-CB 3.24Å; N735-L739 WeakPolarHBondContact O-CB 3.5Å; N735-L739 WeakPolarHBondContact O-CG 3.41Å; N735-L739 PolarHBondContact O-N 3.17Å; N735-L739 WeakPolarHBondContact OD1-CD1 3.5Å |
| 736 | A | 96.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 71.4 Ų | 71.4 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.9 | -34 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C734 Y740 | C734-A736 PolarHBondContact O-N 3.3Å; C734-A736 VanDerWaalsContact O-N 3.07Å; A736-Y740 VanDerWaalsContact O-CB 3.29Å; A736-Y740 WeakPolarHBondContact O-CB 3.13Å; A736-Y740 PolarHBondContact O-N 3.02Å |
| 737 | C | 97.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.02 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -78.7 | -46.2 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | N715 C716 C734 L739 Y740 Y741 R748 | N715-C737 HydrophobicContact CB-CB 4.32Å; N715-C737 VanDerWaalsContact OD1-CB 3.28Å; N715-C737 WeakPolarHBondContact OD1-CB 3.48Å; N715-C737 PolarHBondContact OD1-SG 3.28Å; C716-C737 PolarHBondContact SG-SG 3.43Å; C734-C737 PolarHBondContact O-N 2.91Å; C734-C737 PolarHBondContact SG-SG 3.5Å; C737-L739 VanDerWaalsContact C-N 3.32Å; C737-L739 PolarHBondContact O-N 3.44Å; C737-Y740 PolarHBondContact O-N 3.04Å; C737-Y740 VanDerWaalsContact O-N 3.16Å; C737-Y741 PolarHBondContact O-N 3.48Å; C737-R748 HydrophobicContact CB-CB 4.46Å; C737-R748 PolarHBondContact SG-NH1 3.44Å |
| 738 | G | 96.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C734 K742 | C734-G738 PolarHBondContact O-N 3.45Å; G738-K742 VanDerWaalsContact O-CB 3.31Å; G738-K742 WeakPolarHBondContact O-CB 3.2Å; G738-K742 PolarHBondContact O-N 3.02Å |
| 739 | L | 96.4 | Very high | 96 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 171.8 | -75.5 | 173.6 | 0 | 0 | 0 | 112.7 | N735 C737 K742 L743 | N735-L739 VanDerWaalsContact O-CB 3.24Å; N735-L739 WeakPolarHBondContact O-CB 3.5Å; N735-L739 WeakPolarHBondContact O-CG 3.41Å; N735-L739 PolarHBondContact O-N 3.17Å; N735-L739 WeakPolarHBondContact OD1-CD1 3.5Å; C737-L739 VanDerWaalsContact C-N 3.32Å; C737-L739 PolarHBondContact O-N 3.44Å; L739-K742 PolarHBondContact O-N 3.29Å; L739-L743 WeakPolarHBondContact O-CB 3.48Å; L739-L743 PolarHBondContact O-N 3.19Å |
| 740 | Y | 97.6 | Very high | 96 | Very high | 40 Ų | 40 | 66 Ų | 66 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 178.4 | -173 | -84.3 | 0 | 0 | 0 | 111.3 | A736 C737 K742 L743 H744 I746 R748 P749 M752 | A736-Y740 VanDerWaalsContact O-CB 3.29Å; A736-Y740 WeakPolarHBondContact O-CB 3.13Å; A736-Y740 PolarHBondContact O-N 3.02Å; C737-Y740 PolarHBondContact O-N 3.04Å; C737-Y740 VanDerWaalsContact O-N 3.16Å; Y740-K742 PolarHBondContact O-N 2.91Å; Y740-L743 PolarHBondContact O-N 2.78Å; Y740-H744 HydrophobicContact CD1-CB 4.5Å; Y740-H744 AromaticContact CD2-CD2 3.55Å; Y740-H744 HydrophobicContact CE1-CB 4.25Å; Y740-H744 AromaticContact CE2-CD2 3.48Å; Y740-H744 VanDerWaalsContact CE2-CD2 3.48Å; Y740-H744 WeakPolarHBondContact CE2-CD2 3.43Å; Y740-H744 AromaticContact CE2-NE2 3.84Å; Y740-H744 AromaticContact CG-CD2 3.85Å; Y740-H744 AromaticContact CZ-CD2 3.74Å; Y740-H744 PolarHBondContact O-N 3.11Å; Y740-I746 WeakPolarHBondContact CD1-O 3.28Å; Y740-I746 HydrophobicContact CE1-CD1 4.08Å; Y740-I746 HydrophobicContact CE1-CG1 3.96Å; Y740-R748 HydrophobicContact CD1-CB 3.63Å; Y740-R748 HydrophobicContact CD1-CG 4.16Å; Y740-R748 HydrophobicContact CD2-CG 4.18Å; Y740-R748 HydrophobicContact CE1-CB 4.24Å; Y740-R748 HydrophobicContact CG-CB 3.77Å; Y740-R748 HydrophobicContact CG-CG 3.93Å; Y740-P749 WeakPolarHBondContact OH-CD 3.27Å; Y740-M752 HydrophobicContact CE2-CE 3.99Å; Y740-M752 HydrophobicContact CE2-SD 3.68Å |
| 741 | Y | 97 | Very high | 96.1 | Very high | 82 Ų | 82 | 70 Ų | 70 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 174.7 | -175.5 | -93 | 0 | 0 | 0 | 111.9 | C737 L743 K745 I746 | C737-Y741 PolarHBondContact O-N 3.48Å; Y741-L743 VanDerWaalsContact C-N 3.29Å; Y741-L743 PolarHBondContact O-N 3.18Å; Y741-K745 WeakPolarHBondContact CE2-O 3.43Å; Y741-K745 WeakPolarHBondContact O-CA 3.43Å; Y741-K745 PolarHBondContact O-N 2.9Å; Y741-I746 WeakPolarHBondContact CA-O 3.4Å |
| 742 | K | 95.4 | Very high | 95.9 | Very high | 140 Ų | 140 | 71 Ų | 71 | 61% | 0.609 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.3 | -34.3 | 176.5 | -176.1 | 161.6 | -176.1 | 160.2 | 0 | 113.2 | G738 L739 Y740 | G738-K742 VanDerWaalsContact O-CB 3.31Å; G738-K742 WeakPolarHBondContact O-CB 3.2Å; G738-K742 PolarHBondContact O-N 3.02Å; L739-K742 PolarHBondContact O-N 3.29Å; Y740-K742 PolarHBondContact O-N 2.91Å |
| 743 | L | 96.1 | Very high | 95.7 | Very high | 131 Ų | 131 | 72.1 Ų | 72.1 | 69% | 0.686 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -83.9 | -41.7 | -178.5 | -178.3 | 60.5 | 0 | 0 | 0 | 113.5 | L739 Y740 Y741 | L739-L743 WeakPolarHBondContact O-CB 3.48Å; L739-L743 PolarHBondContact O-N 3.19Å; Y740-L743 PolarHBondContact O-N 2.78Å; Y741-L743 VanDerWaalsContact C-N 3.29Å; Y741-L743 PolarHBondContact O-N 3.18Å |
| 744 | H | 96.3 | Very high | 95.2 | Very high | 96 Ų | 96 | 78 Ų | 78 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -109.1 | -6.4 | -171 | -61.3 | -69.8 | 0 | 0 | 0 | 114.4 | Y740 I746 | Y740-H744 HydrophobicContact CD1-CB 4.5Å; Y740-H744 AromaticContact CD2-CD2 3.55Å; Y740-H744 HydrophobicContact CE1-CB 4.25Å; Y740-H744 AromaticContact CE2-CD2 3.48Å; Y740-H744 VanDerWaalsContact CE2-CD2 3.48Å; Y740-H744 WeakPolarHBondContact CE2-CD2 3.43Å; Y740-H744 AromaticContact CE2-NE2 3.84Å; Y740-H744 AromaticContact CG-CD2 3.85Å; Y740-H744 AromaticContact CZ-CD2 3.74Å; Y740-H744 PolarHBondContact O-N 3.11Å; H744-I746 HydrophobicContact CB-CG1 3.74Å; H744-I746 PolarHBondContact O-N 2.93Å |
| 745 | K | 95.1 | Very high | 94.6 | Very high | 158 Ų | 158 | 85.1 Ų | 85.1 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 59.7 | 1.5 | -174.8 | -55.2 | -64.7 | -173.4 | 160.5 | 0 | 115.8 | Y741 | Y741-K745 WeakPolarHBondContact CE2-O 3.43Å; Y741-K745 WeakPolarHBondContact O-CA 3.43Å; Y741-K745 PolarHBondContact O-N 2.9Å |
| 746 | I | 95.1 | Very high | 94 | Very high | 101 Ų | 101 | 86.2 Ų | 86.2 | 52% | 0.518 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -110.8 | 152 | 173.5 | 53 | 159.1 | 0 | 0 | 0 | 111.1 | Y740 Y741 H744 | Y740-I746 WeakPolarHBondContact CD1-O 3.28Å; Y740-I746 HydrophobicContact CE1-CD1 4.08Å; Y740-I746 HydrophobicContact CE1-CG1 3.96Å; Y741-I746 WeakPolarHBondContact CA-O 3.4Å; H744-I746 HydrophobicContact CB-CG1 3.74Å; H744-I746 PolarHBondContact O-N 2.93Å |
| 747 | N | 95.7 | Very high | 93.5 | Very high | 105 Ų | 105 | 88.1 Ų | 88.1 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 146.7 | 174.6 | -97.9 | -37.9 | 0 | 0 | 0 | 111.3 | P749 | N747-P749 WeakPolarHBondContact O-CD 3.31Š|
| 748 | R | 96.4 | Very high | 92.8 | Very high | 33 Ų | 33 | 94.7 Ų | 94.7 | 13% | 0.125 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 124.9 | -177.2 | -177.6 | 171.5 | 159.4 | -130.5 | 8.5 | 109.9 | N715 C737 Y740 M752 | N715-R748 PolarHBondContact ND2-O 3.4Å; N715-R748 VanDerWaalsContact ND2-O 3.17Å; N715-R748 WeakPolarHBondContact OD1-CB 3.28Å; N715-R748 PolarHBondContact OD1-O 2.75Å; C737-R748 HydrophobicContact CB-CB 4.46Å; C737-R748 PolarHBondContact SG-NH1 3.44Å; Y740-R748 HydrophobicContact CD1-CB 3.63Å; Y740-R748 HydrophobicContact CD1-CG 4.16Å; Y740-R748 HydrophobicContact CD2-CG 4.18Å; Y740-R748 HydrophobicContact CE1-CB 4.24Å; Y740-R748 HydrophobicContact CG-CB 3.77Å; Y740-R748 HydrophobicContact CG-CG 3.93Å; R748-M752 HydrophobicContact CG-CB 4.41Å; R748-M752 PolarHBondContact NH2-O 2.97Å |
| 749 | P | 96.5 | Very high | 92.1 | Very high | 49 Ų | 49 | 99.8 Ų | 99.8 | 32% | 0.318 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 138.4 | 178.5 | 27.3 | -34 | 0 | 0 | 0 | 110.2 | Y740 N747 S751 M752 | Y740-P749 WeakPolarHBondContact OH-CD 3.27Å; N747-P749 WeakPolarHBondContact O-CD 3.31Å; P749-S751 PolarHBondContact O-N 2.9Å; P749-M752 HydrophobicContact CG-CB 4.45Å; P749-M752 HydrophobicContact CG-CG 3.92Å; P749-M752 HydrophobicContact CG-SD 3.75Å; P749-M752 WeakPolarHBondContact O-CB 3.49Å; P749-M752 PolarHBondContact O-N 3.36Å |
| 750 | I | 94.2 | Very high | 91.4 | Very high | 122 Ų | 122 | 106.8 Ų | 106.8 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -62.7 | -29.1 | -173.4 | -59.8 | 174.7 | 0 | 0 | 0 | 111.4 | M752 K753 | I750-M752 PolarHBondContact O-N 3.14Å; I750-M752 VanDerWaalsContact O-N 3.12Å; I750-K753 WeakPolarHBondContact O-CB 3.39Å; I750-K753 PolarHBondContact O-N 3.22Å |
| 751 | S | 93.9 | Very high | 90.5 | Very high | 112 Ų | 112 | 115 Ų | 115 | 78% | 0.783 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -58.5 | -20.2 | 172.2 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | P749 | P749-S751 PolarHBondContact O-N 2.9Š|
| 752 | M | 92 | Very high | 89.6 | Confident | 97 Ų | 97 | 122 Ų | 122 | 48% | 0.478 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -90.4 | 2.3 | 173.1 | -66.9 | -177.3 | 75.6 | 0 | 0 | 113.6 | Y740 R748 P749 I750 | Y740-M752 HydrophobicContact CE2-CE 3.99Å; Y740-M752 HydrophobicContact CE2-SD 3.68Å; R748-M752 HydrophobicContact CG-CB 4.41Å; R748-M752 PolarHBondContact NH2-O 2.97Å; P749-M752 HydrophobicContact CG-CB 4.45Å; P749-M752 HydrophobicContact CG-CG 3.92Å; P749-M752 HydrophobicContact CG-SD 3.75Å; P749-M752 WeakPolarHBondContact O-CB 3.49Å; P749-M752 PolarHBondContact O-N 3.36Å; I750-M752 PolarHBondContact O-N 3.14Å; I750-M752 VanDerWaalsContact O-N 3.12Å |
| 753 | K | 90.4 | Very high | 89 | Confident | 64 Ų | 64 | 124.8 Ų | 124.8 | 28% | 0.278 | 60% | 0.604 | S | S | . | * | | | trans | -60.2 | 145.4 | 174.4 | -173.9 | 176.7 | 172.8 | -175.5 | 0 | 110 | C716 I750 E755 | C716-K753 PolarHBondContact O-NZ 3.4Å; I750-K753 WeakPolarHBondContact O-CB 3.39Å; I750-K753 PolarHBondContact O-N 3.22Å; K753-E755 WeakPolarHBondContact CE-OE2 3.41Å; K753-E755 IonicContact NZ-OE1 3.53Å; K753-E755 IonicContact NZ-OE2 3.8Å |
| 754 | K | 88.2 | Confident | 87.9 | Confident | 129 Ų | 129 | 124.1 Ų | 124.1 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | | | trans | -129.2 | 132 | 171 | -73.1 | -178.7 | 171.8 | 177.3 | 0 | 106.8 | | |
| 755 | E | 84.5 | Confident | 86.7 | Confident | 154 Ų | 154 | 128.9 Ų | 128.9 | 72% | 0.72 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -75.1 | -32 | -174.5 | -146.8 | 56.4 | -150.3 | 0 | 0 | 112.4 | K753 | K753-E755 WeakPolarHBondContact CE-OE2 3.41Å; K753-E755 IonicContact NZ-OE1 3.53Å; K753-E755 IonicContact NZ-OE2 3.8Å |
| 756 | G | 83.7 | Confident | 85 | Confident | 52 Ų | 52 | 129.5 Ų | 129.5 | 54% | 0.536 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -97.2 | 139.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q758 | G756-Q758 PolarHBondContact O-N 2.89Š|
| 757 | I | 86 | Confident | 83.2 | Confident | 85 Ų | 85 | 129.5 Ų | 129.5 | 44% | 0.436 | 64% | 0.635 | S | S | . | * | | | trans | -70.6 | 106.8 | 168.6 | -62.8 | 178.1 | 0 | 0 | 0 | 109.5 | A720 T722 T759 | A720-I757 HydrophobicContact CB-CD1 4.1Å; T722-I757 HydrophobicContact CG2-CG2 3.51Å; I757-T759 PolarHBondContact O-N 3.21Å |
| 758 | Q | 82.6 | Confident | 81.1 | Confident | 141 Ų | 141 | 131 Ų | 131 | 66% | 0.659 | 65% | 0.648 | S | S | * | * | | | trans | -81.8 | 105.3 | 177 | -67.8 | -175.3 | -28.9 | 0 | 0 | 111.3 | G756 | G756-Q758 PolarHBondContact O-N 2.89Š|
| 759 | T | 81.4 | Confident | 79 | Confident | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | | | trans | -78.7 | 133.9 | 173.7 | 55.2 | 0 | 0 | 0 | 0 | 111 | I757 K761 | I757-T759 PolarHBondContact O-N 3.21Å; T759-K761 PolarHBondContact O-N 3.18Å |
| 760 | R | 81.9 | Confident | 76.7 | Confident | 231 Ų | 231 | 142.9 Ų | 142.9 | 87% | 0.872 | 70% | 0.702 | S | S | * | * | | | trans | -79.6 | 121 | 174.6 | -65.7 | -170.2 | -175.4 | -161.9 | 2.9 | 109.6 | R762 | R760-R762 PolarHBondContact O-N 3.02Š|
| 761 | K | 78.1 | Confident | 74.2 | Confident | 213 Ų | 213 | 142.5 Ų | 142.5 | 93% | 0.926 | 71% | 0.71 | S | S | * | * | | | trans | -62.2 | 95.4 | 169.2 | -67.8 | -174.3 | 179.5 | -177.5 | 0 | 109.8 | T759 | T759-K761 PolarHBondContact O-N 3.18Š|
| 762 | R | 78.8 | Confident | 71.9 | Confident | 229 Ų | 229 | 144.8 Ų | 144.8 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 128.1 | 173 | -69.6 | 176.7 | 173.7 | 162 | -3.2 | 108.6 | R760 | R760-R762 PolarHBondContact O-N 3.02Š|
| 763 | K | 81.4 | Confident | 70.1 | Confident | 197 Ų | 197 | 149.2 Ų | 149.2 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 135.1 | 165.9 | -68.4 | -174 | 177.2 | -175.1 | 0 | 108.2 | K765 | K763-K765 PolarHBondContact O-N 3.33Š|
| 764 | P | 74.1 | Confident | 67.7 | Low | 118 Ų | 118 | 154.2 Ų | 154.2 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 131.4 | 171.7 | 26.5 | -33 | 0 | 0 | 0 | 108.9 | M766 | P764-M766 PolarHBondContact O-N 3.16Š|
| 765 | K | 69.9 | Low | 65.3 | Low | 195 Ų | 195 | 158.9 Ų | 158.9 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121.8 | 174.4 | -166.4 | 176.5 | -178.7 | -174.5 | 0 | 107.5 | K763 N767 | K763-K765 PolarHBondContact O-N 3.33Å; K765-N767 PolarHBondContact O-N 2.93Å |
| 766 | M | 61.2 | Low | 63.4 | Low | 172 Ų | 172 | 156.6 Ų | 156.6 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 122.5 | -178 | -50.7 | -177.6 | 88.9 | 0 | 0 | 108.1 | P764 T768 | P764-M766 PolarHBondContact O-N 3.16Å; M766-T768 PolarHBondContact O-N 3.26Å |
| 767 | N | 55.6 | Low | 61.5 | Low | 101 Ų | 101 | 160.6 Ų | 160.6 | 54% | 0.54 | 79% | 0.788 | S | S | . | * | | | trans | -77.1 | 103.4 | 179.6 | -77.4 | -12.7 | 0 | 0 | 0 | 109.3 | K765 L769 | K765-N767 PolarHBondContact O-N 2.93Å; N767-L769 VanDerWaalsContact C-N 3.29Å; N767-L769 PolarHBondContact O-N 3.24Å |
| 768 | T | 52.1 | Low | 59.2 | Low | 136 Ų | 136 | 163.4 Ų | 163.4 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | -66.5 | 90.4 | 166.4 | -47.2 | 0 | 0 | 0 | 0 | 108.7 | M766 K770 | M766-T768 PolarHBondContact O-N 3.26Å; T768-K770 PolarHBondContact O-N 3.07Å; T768-K770 VanDerWaalsContact O-N 3.14Å |
| 769 | L | 53.5 | Low | 57.4 | Low | 142 Ų | 142 | 162.3 Ų | 162.3 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | | | trans | -62.1 | 112.9 | 175.9 | -70.6 | 169.5 | 0 | 0 | 0 | 108.9 | N767 S771 | N767-L769 VanDerWaalsContact C-N 3.29Å; N767-L769 PolarHBondContact O-N 3.24Å; L769-S771 PolarHBondContact O-N 3.15Å |
| 770 | K | 47.3 | Very low | 55.8 | Low | 190 Ų | 190 | 160.2 Ų | 160.2 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -66.3 | 116.6 | 169.8 | -71.3 | -170.2 | 175 | -171 | 0 | 108.6 | T768 N772 | T768-K770 PolarHBondContact O-N 3.07Å; T768-K770 VanDerWaalsContact O-N 3.14Å; K770-N772 PolarHBondContact O-N 3.47Å; K770-N772 VanDerWaalsContact O-N 3.08Å |
| 771 | S | 42 | Very low | 54 | Low | 114 Ų | 114 | 161 Ų | 161 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -68.2 | 100.3 | 176.3 | 51 | 0 | 0 | 0 | 0 | 110.6 | L769 | L769-S771 PolarHBondContact O-N 3.15Š|
| 772 | N | 45.4 | Very low | 52 | Low | 159 Ų | 159 | 154.1 Ų | 154.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -160.2 | 28.4 | 163.5 | -113.5 | 1.8 | 0 | 0 | 0 | 114.7 | K770 | K770-N772 PolarHBondContact O-N 3.47Å; K770-N772 VanDerWaalsContact O-N 3.08Å |
| 773 | Q | 54.4 | Low | 50.4 | Low | 191 Ų | 191 | 149.7 Ų | 149.7 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -139.8 | 73.3 | 167.6 | -72 | -165.5 | 1.5 | 0 | 0 | 111 | | |
| 774 | L | 40.1 | Very low | 48.3 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -135.8 | 91.1 | 162.8 | -79.3 | 178.4 | 0 | 0 | 0 | 108.9 | | |
| 775 | Y | 37.3 | Very low | 47 | Very low | 227 Ų | 227 | 147.5 Ų | 147.5 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -140.7 | 122.9 | 158 | -129.8 | -88.7 | 0 | 0 | 0 | 108.6 | | |
| 776 | V | 45.7 | Very low | 45.8 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 65% | 0.648 | 79% | 0.79 | S | S | * | * | | | trans | -97.4 | 130.2 | -178.1 | 175.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 777 | T | 42.2 | Very low | 45 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | -111.3 | 105.8 | 168.4 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 778 | N | 39.4 | Very low | 44.3 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | trans | -78.4 | 126.3 | 175.9 | -70.4 | -44.7 | 0 | 0 | 0 | 110.9 | | |
| 779 | S | 44.1 | Very low | 44 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -179.5 | 150.7 | 153.3 | -87.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 780 | S | 47.6 | Very low | 43.2 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 54% | 0.538 | 80% | 0.803 | S | S | . | * | | | cis | -168.2 | 151.6 | -22.8 | 65.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 781 | R | 43.6 | Very low | 42.7 | Very low | 247 Ų | 247 | 145.3 Ų | 145.3 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | | | trans | 67.1 | 143.8 | 163.5 | -54.2 | 148.9 | -174.2 | 174.7 | 1.6 | 115.7 | | |
| 782 | G | 37.7 | Very low | 42.4 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | cis | 178.4 | 175.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 783 | S | 44.5 | Very low | 42.1 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | | | trans | 70.5 | 133.8 | -176.7 | -157 | 0 | 0 | 0 | 0 | 115.8 | | |
| 784 | G | 37 | Very low | 41.4 | Very low | 58 Ų | 58 | 146.9 Ų | 146.9 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | | | cis | 165.7 | 153.9 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 785 | K | 46.3 | Very low | 41.2 | Very low | 210 Ų | 210 | 146.4 Ų | 146.4 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | 76.9 | 106.3 | -174.2 | -50.5 | 167.5 | -174.9 | 177.3 | 0 | 112.4 | | |
| 786 | S | 45.6 | Very low | 41.2 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | | 82.4 | 126.2 | 87 | -161.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 787 | L | 43.8 | Very low | 40.9 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | cis | -144.6 | 140.4 | 37.9 | -172.2 | 76.6 | 0 | 0 | 0 | 112.7 | | |
| 788 | N | 41.4 | Very low | 40.7 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -83 | 136.9 | 169.6 | -80 | -28.6 | 0 | 0 | 0 | 111.4 | | |
| 789 | K | 44.6 | Very low | 40.8 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -153 | 115.7 | 155.2 | -152.1 | 159.5 | -172.4 | 175.5 | 0 | 115.9 | | |
| 790 | L | 36.9 | Very low | 40.3 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 61.6 | 95.5 | 154.1 | -66.1 | 171.8 | 0 | 0 | 0 | 120.2 | | |
| 791 | V | 36.5 | Very low | 39.7 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -66.3 | 164.6 | 133 | 173.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 792 | A | 37.3 | Very low | 39.3 | Very low | 82 Ų | 82 | 140.2 Ų | 140.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | trans | 96 | 106.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 793 | R | 38.6 | Very low | 39.4 | Very low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | | | trans | 179.9 | 92.7 | 142.1 | -95.9 | 156.1 | -171.2 | -171.2 | 1.5 | 105.7 | | |
| 794 | M | 39.2 | Very low | 39.1 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | | 67.5 | 144 | 78.3 | -69.4 | -153.2 | -63.2 | 0 | 0 | 114.6 | | |
| 795 | D | 35.2 | Very low | 39.3 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -52.7 | 150.8 | -163 | -66.1 | -98.3 | 0 | 0 | 0 | 118.6 | | |
| 796 | G | 38.4 | Very low | 38.6 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | -142.7 | 89.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 797 | S | 39.7 | Very low | 38.2 | Very low | 92 Ų | 92 | 146.5 Ų | 146.5 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | trans | -76.2 | 143.6 | -170.9 | -106.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 798 | K | 37.7 | Very low | 37.7 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | trans | 51.7 | 115.4 | 142.1 | -55.2 | 167.7 | -172.3 | 175.3 | 0 | 119.4 | | |
| 799 | Q | 41 | Very low | 37.6 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | | -177.2 | 133 | 107.7 | -93.9 | 153.8 | 97.6 | 0 | 0 | 109 | | |
| 800 | L | 34.3 | Very low | 37.1 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | | 88.2 | 136.2 | 52.5 | -156.4 | 86 | 0 | 0 | 0 | 112.3 | | |
| 801 | S | 34.3 | Very low | 37.2 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | trans | 74.6 | 147.7 | 175 | 91.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 802 | N | 34.6 | Very low | 36.9 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | cis | -159.3 | 170.9 | -13.9 | -126.5 | -17.6 | 0 | 0 | 0 | 113 | | |
| 803 | Q | 41 | Very low | 36.8 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | 68.1 | 92 | 152.3 | -70.5 | 162.9 | 30.1 | 0 | 0 | 119.8 | | |
| 804 | S | 37.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | | -58.8 | -165.5 | 129.4 | -144.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 805 | P | 41.9 | Very low | 36.2 | Very low | 75 Ų | 75 | 145.4 Ų | 145.4 | 49% | 0.487 | 75% | 0.745 | S | S | . | * | | | cis | -145.8 | -155.5 | 5.4 | 23.5 | 7.4 | 0 | 0 | 0 | 115.5 | | |
| 806 | Y | 31.9 | Very low | 35.9 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | | | trans | 104.3 | 109 | 160.2 | -51.1 | -44.2 | 0 | 0 | 0 | 115.5 | | |
| 807 | K | 35.2 | Very low | 35.5 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | | 73.2 | 140.2 | 81.6 | -73.8 | 179.7 | -179.1 | 177 | 0 | 111.5 | | |
| 808 | T | 34.2 | Very low | 35.1 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | | | cis | -156.5 | -176.8 | 6.6 | 2.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 809 | R | 39.6 | Very low | 34.6 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | cis | -162.7 | 149.2 | 29.3 | -143.3 | 164.9 | -172.4 | -175 | 0.6 | 111.5 | | |
| 810 | H | 34 | Very low | 34.2 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | | | trans | -4.4 | 147 | 147.6 | -52.7 | -102.4 | 0 | 0 | 0 | 118 | | |
| 811 | H | 38.6 | Very low | 33.9 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | | -156.5 | 158.7 | 62 | -95.5 | -90.3 | 0 | 0 | 0 | 116.9 | | |
| 812 | H | 31 | Very low | 33.7 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | -74.2 | 160.3 | 160.8 | -85 | -123 | 0 | 0 | 0 | 112.1 | | |
| 813 | I | 35.3 | Very low | 33.5 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | | | trans | -165.1 | 124.1 | 131.4 | -94.4 | 144.5 | 0 | 0 | 0 | 109.4 | | |
| 814 | P | 35.9 | Very low | 33.3 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | | | trans | -102.8 | -170.7 | 158.7 | 38.3 | -30 | 0 | 0 | 0 | 111.1 | | |
| 815 | Y | 29.2 | Very low | 33 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | trans | 72.9 | 158.6 | -179.7 | -79.3 | -128.9 | 0 | 0 | 0 | 114.9 | | |
| 816 | Q | 29.4 | Very low | 32.7 | Very low | 159 Ų | 159 | 151.5 Ų | 151.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | cis | -166.8 | 143.6 | -29.2 | -114.8 | -172.2 | -11.4 | 0 | 0 | 107.9 | | |
| 817 | G | 28.2 | Very low | 32.9 | Very low | 78 Ų | 78 | 148.3 Ų | 148.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 66.1 | 176.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 818 | T | 31.4 | Very low | 33.2 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | cis | -138.9 | 177.9 | -9.8 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 819 | E | 26.9 | Very low | 33.2 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -62.6 | 153.9 | -178.9 | -55.2 | 103 | 155.4 | 0 | 0 | 114.5 | | |
| 820 | V | 32.6 | Very low | 33 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | | 177.7 | 155.5 | 109 | 154.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 821 | E | 28.6 | Very low | 33.1 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -56 | 153.2 | 179.3 | -58.9 | 162.4 | 100.2 | 0 | 0 | 112.7 | | |
| 822 | S | 29.5 | Very low | 32.8 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | | -179.7 | 172.4 | 59.9 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 823 | H | 31.1 | Very low | 33 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | 27.1 | 126.7 | 163.4 | -44.8 | -65.9 | 0 | 0 | 0 | 121.4 | | |
| 824 | H | 36.3 | Very low | 33.2 | Very low | 192 Ų | 192 | 144 Ų | 144 | 89% | 0.889 | 78% | 0.775 | S | S | * | * | | | | 175.5 | 168.6 | 116.1 | -86.9 | -2.2 | 0 | 0 | 0 | 112.5 | | |
| 825 | S | 31.4 | Very low | 33 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -115.8 | 147.4 | -164.9 | -59.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 826 | I | 35.6 | Very low | 33.2 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | 46.9 | 112.9 | 147.6 | -55.9 | 163 | 0 | 0 | 0 | 116.6 | | |
| 827 | P | 37.6 | Very low | 33.4 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | | -155.8 | -165 | 93.8 | 42.3 | -23.2 | 0 | 0 | 0 | 113.5 | | |
| 828 | P | 41.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | cis | -124 | 179.9 | -14 | 18.3 | 6.5 | 0 | 0 | 0 | 114.9 | | |
| 829 | R | 34 | Very low | 33.8 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -71 | 157 | 169.4 | -61.3 | 169.7 | 171.1 | 136.8 | -6.4 | 112.4 | L831 | R829-L831 HydrophobicContact CB-CG 4.46Š|
| 830 | F | 35.7 | Very low | 34 | Very low | 216 Ų | 216 | 151.6 Ų | 151.6 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | | | trans | -107.8 | 127.1 | 142 | -98.9 | -90.5 | 0 | 0 | 0 | 109.3 | | |
| 831 | L | 35.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 154 Ų | 154 | 61% | 0.613 | 79% | 0.786 | S | S | * | * | | | trans | -110.6 | 146.4 | 171.5 | -73.6 | 171.1 | 0 | 0 | 0 | 109.2 | R829 F833 | R829-L831 HydrophobicContact CB-CG 4.46Å; L831-F833 HydrophobicContact CB-CE2 4.2Å |
| 832 | A | 31.3 | Very low | 34.5 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -94 | 144.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 833 | F | 35.9 | Very low | 34.6 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -126.9 | 147.2 | 170.6 | -77.3 | -81.3 | 0 | 0 | 0 | 110.2 | L831 | L831-F833 HydrophobicContact CB-CE2 4.2Š|
| 834 | P | 38.8 | Very low | 34.8 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -90.3 | 157.5 | -178.7 | 36.5 | -34.8 | 0 | 0 | 0 | 112.7 | | |
| 835 | N | 33.4 | Very low | 34.9 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | trans | -100.8 | 143.7 | 169.7 | -78.1 | -5.6 | 0 | 0 | 0 | 111.3 | | |
| 836 | L | 33.7 | Very low | 35.2 | Very low | 153 Ų | 153 | 157 Ų | 157 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | | | trans | -146.7 | 146 | 168.2 | -83.9 | 176.4 | 0 | 0 | 0 | 111.4 | | |
| 837 | F | 33.4 | Very low | 35 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 69% | 0.689 | 78% | 0.778 | S | S | * | * | | | trans | 79.5 | 134.1 | 153.4 | -80.5 | -60.3 | 0 | 0 | 0 | 124.7 | | |
| 838 | Y | 34 | Very low | 35 | Very low | 208 Ų | 208 | 157 Ų | 157 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | trans | 73.6 | 165.4 | 151.1 | -74.4 | -60.6 | 0 | 0 | 0 | 122.1 | | |
| 839 | D | 32.5 | Very low | 34.8 | Very low | 148 Ų | 148 | 157.7 Ų | 157.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -152.3 | 176.8 | -134.5 | -157.1 | -6.6 | 0 | 0 | 0 | 112.7 | | |
| 840 | E | 32.6 | Very low | 34.7 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | trans | 64.1 | 121.5 | 171 | -74.8 | -155.1 | 78.2 | 0 | 0 | 121 | | |
| 841 | Q | 36.5 | Very low | 34.5 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | | -170.3 | 113.9 | 118.8 | -107.3 | 167.1 | 79.6 | 0 | 0 | 116.1 | | |
| 842 | S | 33.8 | Very low | 34.6 | Very low | 93 Ų | 93 | 154.1 Ų | 154.1 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | trans | 54.7 | 122.5 | 134.2 | -87.6 | 0 | 0 | 0 | 0 | 125.7 | | |
| 843 | M | 31.9 | Very low | 34.7 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | | | | 76.8 | 108.8 | 121.5 | -65.2 | -87.2 | -171.2 | 0 | 0 | 123.2 | | |
| 844 | K | 36.7 | Very low | 34.4 | Very low | 191 Ų | 191 | 151.9 Ų | 151.9 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | | | | 170 | 147.4 | 105.4 | -98.5 | 156.9 | -176.5 | 168 | 0 | 117.8 | | |
| 845 | K | 37.7 | Very low | 34.3 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 70.1 | 130 | 167.6 | -65.8 | -177 | 174.2 | -174.4 | 0 | 117.3 | | |
| 846 | Q | 37.1 | Very low | 34.3 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | cis | 79.1 | 138.6 | 37.1 | -64.8 | -179.8 | -41.4 | 0 | 0 | 114.1 | | |
| 847 | N | 32.6 | Very low | 34.2 | Very low | 132 Ų | 132 | 152 Ų | 152 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | -165.3 | -173.7 | -4.3 | -118.6 | 16.9 | 0 | 0 | 0 | 110.4 | | |
| 848 | L | 36.1 | Very low | 34 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | 74.6 | 153.6 | 171.1 | -83.8 | 57.9 | 0 | 0 | 0 | 116.9 | | |
| 849 | D | 37 | Very low | 34 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | cis | 178.3 | 168.3 | -35.9 | -101.8 | -47.9 | 0 | 0 | 0 | 106.8 | | |
| 850 | E | 33.6 | Very low | 34.1 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | cis | -149.4 | -175.7 | 8.6 | -146.1 | -93.2 | 99.8 | 0 | 0 | 109.1 | | |
| 851 | N | 30.5 | Very low | 34.2 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | | | trans | -87.1 | 162.2 | -174 | -58.4 | -85.4 | 0 | 0 | 0 | 116.4 | | |
| 852 | K | 37.9 | Very low | 33.7 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | | | trans | -172.6 | 91.2 | 140.9 | -104.9 | 156.3 | -171.4 | 167.8 | 0 | 110.1 | | |
| 853 | S | 32.7 | Very low | 33.8 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | | | | 77.8 | 106.3 | 63.9 | 80.8 | 0 | 0 | 0 | 0 | 115 | | |
| 854 | N | 31 | Very low | 33.6 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | | | trans | 59.3 | 129.7 | 139 | -48 | -8.2 | 0 | 0 | 0 | 120.1 | | |
| 855 | T | 35.5 | Very low | 33.1 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | | | | 178.4 | 150 | 105 | 26.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 856 | L | 34.6 | Very low | 32.8 | Very low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | | | trans | 58.5 | 98.6 | 160.9 | -61.7 | 165.9 | 0 | 0 | 0 | 115.8 | | |
| 857 | D | 30.3 | Very low | 32.4 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | | | cis | 69.2 | 138.7 | 25 | -159.6 | 17.1 | 0 | 0 | 0 | 115.9 | | |
| 858 | S | 29.2 | Very low | 32.4 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | | | trans | 61.2 | 117.4 | 176.1 | 71.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 859 | L | 34.8 | Very low | 32 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | | | trans | 149.8 | 121.2 | 144.9 | -82.7 | 160.1 | 0 | 0 | 0 | 110.1 | | |
| 860 | F | 33.7 | Very low | 32 | Very low | 156 Ų | 156 | 133 Ų | 133 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | | | cis | -169.5 | 153.9 | -17.5 | -127.3 | -152.3 | 0 | 0 | 0 | 107 | | |
| 861 | H | 34.5 | Very low | 32.1 | Very low | 130 Ų | 130 | 134 Ų | 134 | 60% | 0.602 | 71% | 0.714 | S | S | * | * | | | trans | 46.2 | 111.4 | 149 | -66.5 | 70.6 | 0 | 0 | 0 | 119 | | |
| 862 | S | 27.6 | Very low | 32.2 | Very low | 81 Ų | 81 | 136 Ų | 136 | 57% | 0.566 | 72% | 0.718 | S | S | * | * | | | | 67.3 | 165.3 | 78.5 | 74.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 863 | H | 34.3 | Very low | 32.1 | Very low | 162 Ų | 162 | 135 Ų | 135 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | | | trans | 69.7 | 90.4 | -171.3 | -42.9 | -71.3 | 0 | 0 | 0 | 112.1 | | |
| 864 | S | 28.3 | Very low | 32.1 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | cis | 63.6 | 116 | 36.6 | -152.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 865 | L | 26.9 | Very low | 32.2 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | | | trans | 41.5 | 114.3 | 154.5 | -54 | 175.1 | 0 | 0 | 0 | 118.8 | | |
| 866 | N | 31.3 | Very low | 32.2 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | | | | -178.8 | 153.2 | 107.8 | -92.1 | 6.2 | 0 | 0 | 0 | 109.9 | | |
| 867 | E | 27.4 | Very low | 32.3 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | | | cis | 122.1 | 165.1 | 19 | -160.4 | -176.3 | -141.6 | 0 | 0 | 108 | | |
| 868 | V | 33.1 | Very low | 32.8 | Very low | 112 Ų | 112 | 137 Ų | 137 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | | | trans | 73.5 | 88.6 | 162.2 | -167.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 869 | H | 29 | Very low | 33.3 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | | | | 70.5 | 161.8 | 126.4 | -82.9 | -90.2 | 0 | 0 | 0 | 123.2 | | |
| 870 | P | 36.3 | Very low | 33.6 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 51% | 0.506 | 74% | 0.741 | S | S | . | * | | | trans | -105.3 | 174.4 | -161.7 | 41.6 | -36.9 | 0 | 0 | 0 | 114.7 | | |
| 871 | M | 35.9 | Very low | 34.9 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | | | trans | -136.9 | 153.6 | 160.4 | -82 | -62.6 | -97.6 | 0 | 0 | 112.6 | | |
| 872 | H | 31.9 | Very low | 36 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | -71.5 | 162.6 | 179.1 | -65.2 | -123.1 | 0 | 0 | 0 | 112.1 | | |
| 873 | F | 35.5 | Very low | 37.5 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | | 178 | 115.8 | 102.7 | -101.8 | -79.4 | 0 | 0 | 0 | 113.4 | | |
| 874 | T | 32.2 | Very low | 38.9 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | 20.5 | 132.2 | 146.2 | 64.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 875 | A | 34 | Very low | 40 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | | 141.5 | 125.7 | 107.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 876 | R | 35.9 | Very low | 41.7 | Very low | 254 Ų | 254 | 145.2 Ų | 145.2 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | | | trans | 72.1 | 141.2 | 153.4 | -63.4 | -179.9 | -176.3 | -150.4 | -1 | 119.4 | | |
| 877 | T | 35.3 | Very low | 42.8 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | | | trans | -100.8 | 168.5 | -176 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 878 | P | 42.3 | Very low | 43.3 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | | -119.7 | 155.9 | 117.3 | -5.4 | 25.1 | 0 | 0 | 0 | 113.1 | | |
| 879 | R | 38.7 | Very low | 43.6 | Very low | 232 Ų | 232 | 143.6 Ų | 143.6 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | | | trans | -91.5 | 147.3 | 170.8 | -73.4 | -179.5 | 169.5 | -167.5 | -2.7 | 111 | | |
| 880 | F | 42.6 | Very low | 44 | Very low | 196 Ų | 196 | 141 Ų | 141 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -135.4 | 153.7 | 149.2 | -83.4 | -78.2 | 0 | 0 | 0 | 109.7 | | |
| 881 | P | 59.5 | Low | 44.1 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 163.1 | -163.3 | 34.7 | -36.7 | 0 | 0 | 0 | 114.7 | | |
| 882 | P | 58.8 | Low | 44.1 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 159.7 | 175.9 | 34.4 | -36.3 | 0 | 0 | 0 | 113.3 | | |
| 883 | P | 59.3 | Low | 44.3 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 155.7 | 166.2 | -16.6 | 31.5 | 0 | 0 | 0 | 112.5 | | |
| 884 | P | 63.2 | Low | 44.6 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 149.8 | -174.8 | 32.5 | -35.7 | 0 | 0 | 0 | 114 | | |
| 885 | H | 52.1 | Low | 44.8 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 146.2 | 166.5 | -65 | -91.1 | 0 | 0 | 0 | 111.1 | | |
| 886 | P | 61.5 | Low | 44.8 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 146.3 | 164.1 | 30.7 | -33.6 | 0 | 0 | 0 | 111.1 | | |
| 887 | P | 53.8 | Low | 44.8 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 149.9 | -172.8 | 33.1 | -36.1 | 0 | 0 | 0 | 113.7 | | |
| 888 | P | 38.2 | Very low | 44.7 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | trans | -110.5 | 166.6 | 175.7 | 41.8 | -35.2 | 0 | 0 | 0 | 114.3 | | |
| 889 | V | 39.4 | Very low | 44.5 | Very low | 126 Ų | 126 | 145 Ų | 145 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | 69.6 | 119.8 | 164.3 | -170.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 890 | S | 37.1 | Very low | 44.4 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | | 179.8 | 113 | 122.6 | -80 | 0 | 0 | 0 | 0 | 113 | | |
| 891 | P | 38.4 | Very low | 43.8 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | trans | -97.1 | 141.5 | 163.9 | 35.3 | -29.2 | 0 | 0 | 0 | 111.5 | | |
| 892 | S | 37 | Very low | 42.8 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -159.7 | 151.3 | 169.9 | -80.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 893 | H | 36.6 | Very low | 41.4 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | trans | -81.2 | 159.5 | 179.4 | -67.8 | -101.5 | 0 | 0 | 0 | 112.7 | | |
| 894 | H | 39.9 | Very low | 40.1 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | | 176.3 | 110 | 128.6 | -87.5 | -61.9 | 0 | 0 | 0 | 107.9 | | |
| 895 | H | 38.3 | Very low | 38.7 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | | 76.6 | 100.9 | 86.9 | -92.6 | -46.5 | 0 | 0 | 0 | 117.7 | | |
| 896 | R | 32.5 | Very low | 37.8 | Very low | 232 Ų | 232 | 138.2 Ų | 138.2 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | | | | 83.1 | 147.6 | 122.8 | -164.6 | 175.7 | -173.9 | 156 | 3.4 | 120.7 | | |
| 897 | A | 36.9 | Very low | 36.5 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | | | trans | 73.6 | 115.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 898 | N | 33.4 | Very low | 35.5 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | | 86.7 | 121.5 | 58 | -74.1 | 13.7 | 0 | 0 | 0 | 112.6 | | |
| 899 | I | 36.7 | Very low | 35.3 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | | | | 167.2 | 120.7 | 126.7 | -86.1 | 157.2 | 0 | 0 | 0 | 111.6 | | |
| 900 | H | 36.3 | Very low | 35.1 | Very low | 177 Ų | 177 | 142 Ų | 142 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | | | trans | 32.3 | 126 | 151.4 | -67 | -71.5 | 0 | 0 | 0 | 125.3 | | |
| 901 | E | 30.9 | Very low | 34.8 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -39.9 | 165.7 | 136.1 | -99.9 | -178.5 | -164.8 | 0 | 0 | 115.1 | | |
| 902 | P | 37.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 145 Ų | 145 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | | | cis | -154.7 | 167.1 | 48.1 | 42.8 | -21.2 | 0 | 0 | 0 | 120.7 | | |
| 903 | N | 30.2 | Very low | 34.4 | Very low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | 22 | 158.6 | 140.1 | -62.4 | -49 | 0 | 0 | 0 | 124.7 | | |
| 904 | S | 32.1 | Very low | 34.3 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | 80.4 | 146.4 | 163.8 | 76.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 905 | S | 33.8 | Very low | 33.8 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | cis | -169.4 | 139.7 | -13.3 | 44.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 906 | V | 33 | Very low | 33.5 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | 68.5 | 157.4 | 139 | 177.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 907 | S | 33.5 | Very low | 33.5 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | | | trans | 80.5 | 96.5 | 160.7 | 37.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 908 | D | 33 | Very low | 33.1 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | 95.2 | 158.8 | 112.5 | -58.6 | -20.1 | 0 | 0 | 0 | 124.4 | | |
| 909 | I | 34.9 | Very low | 33 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | 86.8 | 77.1 | 166.3 | -42.6 | -171.1 | 0 | 0 | 0 | 118.6 | | |
| 910 | H | 34.6 | Very low | 32.8 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | | | | 59.7 | 97.3 | 124.4 | -96.6 | -107.7 | 0 | 0 | 0 | 122.8 | | |
| 911 | Y | 30.6 | Very low | 32.5 | Very low | 184 Ų | 184 | 141 Ų | 141 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | | 60.3 | 136.8 | 105.7 | -94.8 | -51.2 | 0 | 0 | 0 | 124.4 | | |
| 912 | N | 33 | Very low | 32.3 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | | | trans | 79.7 | 146.1 | 137.3 | -75.8 | -20 | 0 | 0 | 0 | 119.6 | | |
| 913 | Q | 34.4 | Very low | 31.8 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 67% | 0.673 | 76% | 0.764 | S | S | * | * | | | cis | -156.3 | 165.9 | 1.1 | -134 | 152.3 | 6.7 | 0 | 0 | 113.6 | | |
| 914 | N | 33.8 | Very low | 31.7 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 71.2 | 118.7 | 163.8 | -50.1 | -32.6 | 0 | 0 | 0 | 116.9 | | |
| 915 | G | 31.3 | Very low | 31.6 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | cis | 175.6 | 132.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 916 | D | 30 | Very low | 31.4 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | | | trans | -74.8 | 132.3 | -176 | -56.2 | -74.7 | 0 | 0 | 0 | 113.2 | | |
| 917 | Q | 34.1 | Very low | 31.1 | Very low | 168 Ų | 168 | 153 Ų | 153 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -145.3 | 138.4 | 157.8 | -71.4 | -161.4 | -9.2 | 0 | 0 | 111.6 | | |
| 918 | F | 28.5 | Very low | 31 | Very low | 174 Ų | 174 | 155.9 Ų | 155.9 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | 68.3 | 52.6 | 167.8 | -59.2 | -69.2 | 0 | 0 | 0 | 119.5 | | |
| 919 | E | 31.2 | Very low | 30.7 | Very low | 183 Ų | 183 | 155 Ų | 155 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | S | Bend | | -107.7 | 158 | 125.7 | -92.2 | -169 | 149.2 | 0 | 0 | 109.7 | | |
| 920 | N | 31.1 | Very low | 30.5 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | 75.2 | 61.2 | -176.1 | -53.7 | -65.4 | 0 | 0 | 0 | 118.1 | A922 | N920-A922 VanDerWaalsContact C-N 3.34Š|
| 921 | T | 31.1 | Very low | 30.2 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | -91.9 | 69.6 | 145.1 | 34.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 922 | A | 26.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 152 Ų | 152 | 62% | 0.62 | 80% | 0.799 | S | S | * | * | | | trans | -71.9 | 152.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | N920 | N920-A922 VanDerWaalsContact C-N 3.34Š|
| 923 | M | 27.1 | Very low | 30.2 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 42.4 | 75.2 | 154.2 | -61.5 | -177.6 | 173.9 | 0 | 0 | 118.3 | | |
| 924 | M | 27.3 | Very low | 30.1 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | 179.9 | 110.1 | 131.8 | -101 | -178.7 | -143.5 | 0 | 0 | 112.4 | | |
| 925 | I | 30.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 152.7 Ų | 152.7 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | -168 | 76.9 | 133.8 | -93.3 | 150 | 0 | 0 | 0 | 105.7 | | |
| 926 | N | 29.1 | Very low | 30.2 | Very low | 166 Ų | 166 | 152.3 Ų | 152.3 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -108.4 | 71.4 | 175.2 | -139.7 | -6.3 | 0 | 0 | 0 | 107.5 | | |
| 927 | R | 27.5 | Very low | 30.4 | Very low | 229 Ų | 229 | 153.4 Ų | 153.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -164.6 | 147.9 | 175.4 | -105.3 | 157.1 | -161.2 | -102.4 | 1 | 110.7 | | |
| 928 | L | 30 | Very low | 30.4 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | | | trans | 78.9 | 80.4 | 177.4 | -58.8 | 169.5 | 0 | 0 | 0 | 118.4 | I930 | L928-I930 PolarHBondContact O-N 3.08Š|
| 929 | P | 28 | Very low | 30.4 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -93.8 | 68.9 | 166.3 | 37.5 | -32.7 | 0 | 0 | 0 | 112 | | |
| 930 | I | 29.4 | Very low | 30.4 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | | | trans | -133 | 143.8 | -178 | -59.6 | -178.9 | 0 | 0 | 0 | 110.2 | L928 | L928-I930 PolarHBondContact O-N 3.08Š|
| 931 | L | 29.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | | | trans | 64.8 | 81.6 | 176.8 | -70.1 | 152.9 | 0 | 0 | 0 | 117.3 | | |
| 932 | N | 32.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | | -168.5 | 115.3 | 99.8 | -106.4 | -31 | 0 | 0 | 0 | 114.3 | | |
| 933 | K | 30.3 | Very low | 30.7 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 70% | 0.704 | 81% | 0.809 | S | S | * | * | | | trans | -114.5 | 163 | 150.5 | -85.8 | -179.8 | 176.1 | 172.9 | 0 | 106.5 | | |
| 934 | V | 32.3 | Very low | 30.9 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | | | trans | 94.1 | 133.7 | 177.2 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 935 | T | 37.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | 54.3 | 162.7 | -166.4 | 70.6 | 0 | 0 | 0 | 0 | 115 | | |
| 936 | G | 29.1 | Very low | 31 | Very low | 64 Ų | 64 | 151.6 Ų | 151.6 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | cis | 156.1 | 91.3 | -16.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 937 | E | 34.3 | Very low | 30.9 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | trans | 72.3 | 163 | 167.7 | -51.8 | -157 | 139.3 | 0 | 0 | 119 | | |
| 938 | N | 33.7 | Very low | 31.1 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -57.4 | 140.7 | -169.8 | -39.6 | -85.8 | 0 | 0 | 0 | 115.4 | | |
| 939 | C | 28.3 | Very low | 31.2 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | | | | 161.2 | 67.8 | 121.5 | -86.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 940 | I | 32.7 | Very low | 31.1 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -135.2 | 79.2 | 162.5 | -50.7 | 179.1 | 0 | 0 | 0 | 110 | | |
| 941 | N | 32.6 | Very low | 31.1 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -171 | 40.5 | 157.6 | -107.4 | -32.4 | 0 | 0 | 0 | 113.2 | | |
| 942 | S | 32.2 | Very low | 31.3 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -121 | 18.2 | 175.5 | -56 | 0 | 0 | 0 | 0 | 112.7 | | |
| 943 | L | 30.5 | Very low | 31.2 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -147.5 | 27.1 | -167.9 | -121.6 | 148.9 | 0 | 0 | 0 | 113 | | |
| 944 | L | 31.5 | Very low | 31.4 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -146.2 | 41.2 | 177.4 | -128.2 | 131 | 0 | 0 | 0 | 112.3 | | |
| 945 | I | 32 | Very low | 31.3 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -127.4 | 37.2 | 171.7 | -42 | -178.3 | 0 | 0 | 0 | 109.1 | | |
| 946 | W | 27.2 | Very low | 31.2 | Very low | 259 Ų | 259 | 147.5 Ų | 147.5 | 98% | 0.981 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -142.3 | 37.4 | 176.7 | -133.2 | -12.8 | 0 | 0 | 0 | 113.5 | | |
| 947 | S | 28.5 | Very low | 31.5 | Very low | 83 Ų | 83 | 152.3 Ų | 152.3 | 58% | 0.58 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -153.9 | 152.4 | 167 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 948 | N | 30.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 59 | 75.8 | 167.7 | -54.8 | -15.5 | 0 | 0 | 0 | 117.4 | | |
| 949 | T | 32.3 | Very low | 31.4 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | | | | 176.4 | 95.2 | 111.2 | 29.9 | 0 | 0 | 0 | 0 | 112 | | |
| 950 | S | 25.7 | Very low | 31.6 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | | | trans | -133.7 | 94.8 | 163 | -63 | 0 | 0 | 0 | 0 | 108.2 | | |
| 951 | R | 29.6 | Very low | 31.7 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -163.1 | 83 | 175.3 | -129.5 | -179.2 | -171.2 | -175.1 | 3.2 | 113.2 | | |
| 952 | T | 34 | Very low | 31.5 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -157.1 | 151.2 | 138.2 | 18.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 953 | N | 31.2 | Very low | 31.5 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | trans | -92.9 | 161.3 | -170 | -48.1 | -23.2 | 0 | 0 | 0 | 110.8 | | |
| 954 | D | 33.4 | Very low | 31.7 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | | -164.9 | 145.4 | 124.6 | -94.6 | -23.5 | 0 | 0 | 0 | 109.4 | | |
| 955 | D | 30.6 | Very low | 31.6 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -85.4 | 146.5 | -170.7 | -65 | -68.9 | 0 | 0 | 0 | 113.5 | | |
| 956 | S | 35 | Very low | 31.4 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | | 169.7 | 137.6 | 116 | 46.8 | 0 | 0 | 0 | 0 | 116 | | |
| 957 | M | 35.1 | Very low | 31.7 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | 70.7 | 145.4 | 149.1 | -68.5 | -67.6 | 107 | 0 | 0 | 122.3 | | |
| 958 | N | 34.1 | Very low | 31.9 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | 76.1 | 62.3 | 161.2 | -59.1 | -22.9 | 0 | 0 | 0 | 118.7 | | |
| 959 | T | 33 | Very low | 31.8 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | | | trans | -44 | 131.2 | 142.7 | 21.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 960 | A | 32.8 | Very low | 31.8 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -155.9 | 115.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 961 | L | 33.5 | Very low | 32 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | 61.4 | 103.4 | 168 | -50 | -179.4 | 0 | 0 | 0 | 116.2 | | |
| 962 | L | 30 | Very low | 32.1 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | | 68.1 | 130.8 | 80.2 | -87.2 | 82.8 | 0 | 0 | 0 | 114.5 | | |
| 963 | T | 31.7 | Very low | 31.9 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 64% | 0.644 | 79% | 0.792 | S | S | * | * | | | cis | -172.9 | 179.4 | -20.3 | 9.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 964 | N | 33.4 | Very low | 32 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | 78.2 | 133.5 | 166.2 | -48 | -18.2 | 0 | 0 | 0 | 116.6 | | |
| 965 | F | 30 | Very low | 31.8 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 74% | 0.737 | 79% | 0.794 | S | S | * | * | | | cis | -156.8 | 147.2 | -26.9 | -115.8 | -67.2 | 0 | 0 | 0 | 107.4 | | |
| 966 | I | 28.5 | Very low | 31.8 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -119.6 | 117.1 | 167.8 | -64.3 | 174.2 | 0 | 0 | 0 | 106.6 | | |
| 967 | E | 33.5 | Very low | 31.6 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | 178.8 | 141 | 171.3 | -106.3 | 165.6 | -148.7 | 0 | 0 | 106.1 | | |
| 968 | L | 32.7 | Very low | 31.6 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | cis | -133.1 | 157.6 | 0 | -78.9 | 140.7 | 0 | 0 | 0 | 109.8 | | |
| 969 | D | 28.8 | Very low | 31.7 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -110.7 | 161.2 | 160.6 | -155.4 | -12 | 0 | 0 | 0 | 109.1 | | |
| 970 | N | 31.9 | Very low | 31.9 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | | | trans | 67.5 | 103.3 | -177.1 | -44.3 | -82 | 0 | 0 | 0 | 116.4 | | |
| 971 | N | 30.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | | | | 164.4 | 113.1 | 108.1 | -86.1 | -42.3 | 0 | 0 | 0 | 111.4 | | |
| 972 | R | 30.3 | Very low | 31.9 | Very low | 247 Ų | 247 | 150.6 Ų | 150.6 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | | | trans | -155.9 | 79.5 | 161.5 | -129.7 | 174.2 | -172 | 169.8 | 3.5 | 112.1 | | |
| 973 | N | 30.9 | Very low | 32 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | | | trans | -159 | 58.2 | 163.5 | -113.7 | -9.7 | 0 | 0 | 0 | 112.4 | | |
| 974 | Q | 33.5 | Very low | 32.1 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | | | trans | -153.5 | 157.3 | 148.3 | -114 | 160.8 | 24.5 | 0 | 0 | 110.7 | | |
| 975 | T | 27.5 | Very low | 32.1 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | -108 | -174.7 | -165.8 | 45 | 0 | 0 | 0 | 0 | 111.5 | | |
| 976 | I | 32.5 | Very low | 32.2 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | | | trans | 96.5 | 99 | 162.6 | -58.5 | 169.4 | 0 | 0 | 0 | 115.3 | | |
| 977 | N | 30.8 | Very low | 32.6 | Very low | 126 Ų | 126 | 144 Ų | 144 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | | | trans | 79 | 158.2 | 134.9 | -68.6 | 21.8 | 0 | 0 | 0 | 124.2 | | |
| 978 | E | 34.5 | Very low | 32.7 | Very low | 148 Ų | 148 | 142 Ų | 142 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | | | trans | 80 | 71.9 | 145.9 | -77.4 | 144.7 | -117.6 | 0 | 0 | 118.5 | | |
| 979 | D | 35.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | | | | 85.8 | 156.8 | 109.8 | -64.1 | -5.3 | 0 | 0 | 0 | 122.3 | | |
| 980 | D | 36.9 | Very low | 33.1 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | trans | 67.6 | 96.9 | 155.1 | -77.1 | 11.4 | 0 | 0 | 0 | 121.3 | | |
| 981 | N | 32 | Very low | 33.3 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | | | | 98.8 | 120.5 | 111.2 | -77.1 | -32.3 | 0 | 0 | 0 | 120.1 | | |
| 982 | E | 34.8 | Very low | 33.4 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | | | | 71.6 | 146.6 | 129.4 | -70.4 | -153.1 | 158.8 | 0 | 0 | 120 | | |
| 983 | N | 31.1 | Very low | 33.7 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 65% | 0.647 | 69% | 0.693 | S | S | * | * | | | cis | -174 | -177.2 | -14 | -173.3 | -10.7 | 0 | 0 | 0 | 105.3 | | |
| 984 | S | 34.3 | Very low | 34 | Very low | 81 Ų | 81 | 130 Ų | 130 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | | | trans | 71.9 | 97.7 | 149.5 | -79.8 | 0 | 0 | 0 | 0 | 120 | | |
| 985 | N | 34.1 | Very low | 34 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | | | | 80.1 | 100.3 | 104 | -67.7 | -29.2 | 0 | 0 | 0 | 120.8 | | |
| 986 | N | 32.2 | Very low | 34.4 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | | | | 82.5 | 155.9 | 104.5 | -67.5 | -12 | 0 | 0 | 0 | 122.3 | | |
| 987 | N | 35.4 | Very low | 34.4 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | | | trans | 71 | 127.8 | 150.5 | -65.9 | -6.3 | 0 | 0 | 0 | 117.2 | | |
| 988 | N | 35.9 | Very low | 34.4 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | | | cis | 178.1 | 157.8 | 14 | -110.2 | -6 | 0 | 0 | 0 | 108.8 | | |
| 989 | N | 34.6 | Very low | 34.3 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | | | trans | 67.8 | 145.1 | 141.1 | -65.5 | 18.9 | 0 | 0 | 0 | 119.9 | | |
| 990 | E | 35.8 | Very low | 34 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 64% | 0.64 | 67% | 0.673 | S | S | * | * | | | cis | -163.1 | 158.4 | -9.3 | -123.7 | 173.8 | -139 | 0 | 0 | 110.8 | | |
| 991 | N | 35.2 | Very low | 33.8 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | | | trans | 61.4 | 146.6 | 150.7 | -59.7 | -30.9 | 0 | 0 | 0 | 120.6 | | |
| 992 | S | 33.6 | Very low | 33.8 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | | | cis | -166.8 | 162.1 | -20.1 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 993 | D | 36.2 | Very low | 33.6 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | | | trans | 65.4 | 142.7 | 153.3 | -69 | -15.4 | 0 | 0 | 0 | 119.9 | | |
| 994 | K | 38.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | | | cis | -155.8 | 132.8 | 1.8 | -121.9 | 152.8 | -171 | 137.3 | 0 | 110.1 | | |
| 995 | H | 33.1 | Very low | 33.8 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | | | trans | 45.3 | 140.6 | 139.7 | -70.2 | -105.5 | 0 | 0 | 0 | 120.6 | | |
| 996 | S | 35.7 | Very low | 34 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | | | cis | -161.6 | 143.4 | 16.9 | 52 | 0 | 0 | 0 | 0 | 115.2 | | |
| 997 | N | 32.9 | Very low | 34.3 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | | | trans | 73.4 | 131.9 | 139.9 | -60.2 | 6.9 | 0 | 0 | 0 | 121.9 | | |
| 998 | I | 29.3 | Very low | 34.4 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 67% | 0.672 | 66% | 0.663 | S | S | * | * | | | trans | -106.8 | 161.2 | 172 | -20.8 | 176.7 | 0 | 0 | 0 | 107.7 | I1000 | I998-I1000 HydrophobicContact CB-CD1 4.39Å; I998-I1000 HydrophobicContact CD1-CD1 4.04Å; I998-I1000 HydrophobicContact CG2-CD1 4.31Å; I998-I1000 HydrophobicContact CG2-CG1 4.01Å |
| 999 | P | 33.3 | Very low | 34.5 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | | | | -125.2 | 154.2 | 86.5 | 0.7 | 22.4 | 0 | 0 | 0 | 112.5 | | |
| 1000 | I | 29.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | | | cis | 74 | 139.6 | 35.9 | -70.2 | 166.7 | 0 | 0 | 0 | 113.5 | I998 | I998-I1000 HydrophobicContact CB-CD1 4.39Å; I998-I1000 HydrophobicContact CD1-CD1 4.04Å; I998-I1000 HydrophobicContact CG2-CD1 4.31Å; I998-I1000 HydrophobicContact CG2-CG1 4.01Å |
| 1001 | D | 31.8 | Very low | 34.9 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | | | trans | 66.1 | 139.2 | -175.6 | -61.4 | -25.7 | 0 | 0 | 0 | 116.9 | | |
| 1002 | F | 32.8 | Very low | 35 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 75% | 0.746 | 66% | 0.655 | S | S | * | * | | | cis | -121.2 | 137.4 | 1.5 | -96.8 | -87.9 | 0 | 0 | 0 | 112.3 | | |
| 1003 | S | 30.5 | Very low | 35.3 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | | | trans | -77.5 | 124.4 | 152 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1004 | N | 33.3 | Very low | 35.2 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 56% | 0.561 | 66% | 0.66 | S | S | * | * | | | trans | -176.5 | -36.1 | 156.1 | -93.9 | -14.9 | 0 | 0 | 0 | 111.8 | V1006 V1007 D1008 | N1004-V1006 PolarHBondContact O-N 3.25Å; N1004-V1007 PolarHBondContact O-N 3.02Å; N1004-D1008 PolarHBondContact O-N 3.02Å |
| 1005 | T | 36.7 | Very low | 35 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -58.6 | -13.2 | -170.2 | 45.3 | 0 | 0 | 0 | 0 | 117.1 | F1009 | T1005-F1009 WeakPolarHBondContact O-CB 3.48Å |
| 1006 | V | 36.9 | Very low | 35 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -91.7 | -21 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | N1004 | N1004-V1006 PolarHBondContact O-N 3.25Å |
| 1007 | V | 39.8 | Very low | 34.8 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 56% | 0.564 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -88.4 | -44 | 175 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | N1004 F1009 I1010 N1011 | N1004-V1007 PolarHBondContact O-N 3.02Å; V1007-F1009 PolarHBondContact O-N 3.46Å; V1007-I1010 PolarHBondContact O-N 3.15Å; V1007-N1011 PolarHBondContact O-N 2.94Å; V1007-N1011 VanDerWaalsContact O-N 3.14Å |
| 1008 | D | 37.6 | Very low | 34.8 | Very low | 93 Ų | 93 | 129 Ų | 129 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -61.8 | -41.3 | 179.8 | -62.4 | -35.2 | 0 | 0 | 0 | 112.1 | N1004 I1010 N1011 F1012 | N1004-D1008 PolarHBondContact O-N 3.02Å; D1008-I1010 PolarHBondContact O-N 3.26Å; D1008-N1011 PolarHBondContact O-N 3.47Å; D1008-F1012 VanDerWaalsContact O-CB 3.28Å; D1008-F1012 WeakPolarHBondContact O-CB 3.48Å; D1008-F1012 PolarHBondContact O-N 3.33Å |
| 1009 | F | 37.9 | Very low | 34.9 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 73% | 0.732 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.1 | -18.1 | -178.7 | -156.5 | -92.8 | 0 | 0 | 0 | 113.8 | T1005 V1007 | T1005-F1009 WeakPolarHBondContact O-CB 3.48Å; V1007-F1009 PolarHBondContact O-N 3.46Å |
| 1010 | I | 39.9 | Very low | 34.8 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 55% | 0.554 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -91.8 | -37 | 176.4 | -65 | 178.3 | 0 | 0 | 0 | 110.7 | V1007 D1008 | V1007-I1010 PolarHBondContact O-N 3.15Å; D1008-I1010 PolarHBondContact O-N 3.26Å |
| 1011 | N | 39.2 | Very low | 34.6 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 46% | 0.46 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -73.6 | -37.5 | 176.2 | -72.7 | -26.7 | 0 | 0 | 0 | 113 | V1007 D1008 Q1013 Y1014 Q1015 | V1007-N1011 PolarHBondContact O-N 2.94Å; V1007-N1011 VanDerWaalsContact O-N 3.14Å; D1008-N1011 PolarHBondContact O-N 3.47Å; N1011-Q1013 PolarHBondContact O-N 2.98Å; N1011-Q1013 VanDerWaalsContact O-N 3.16Å; N1011-Y1014 PolarHBondContact O-N 3.28Å; N1011-Q1015 PolarHBondContact O-N 3.23Å |
| 1012 | F | 36.9 | Very low | 34.6 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -19.6 | -176.9 | -155.9 | -88.5 | 0 | 0 | 0 | 113.7 | D1008 | D1008-F1012 VanDerWaalsContact O-CB 3.28Å; D1008-F1012 WeakPolarHBondContact O-CB 3.48Å; D1008-F1012 PolarHBondContact O-N 3.33Å |
| 1013 | Q | 40.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 57% | 0.565 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -6.5 | 172.7 | -74.6 | -70.5 | -89.3 | 0 | 0 | 114.2 | N1011 E1016 | N1011-Q1013 PolarHBondContact O-N 2.98Å; N1011-Q1013 VanDerWaalsContact O-N 3.16Å; Q1013-E1016 PolarHBondContact NE2-OE2 3.3Å |
| 1014 | Y | 33.4 | Very low | 34.5 | Very low | 196 Ų | 196 | 136.3 Ų | 136.3 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -10.3 | 178 | -111.2 | -89.4 | 0 | 0 | 0 | 114.1 | N1011 | N1011-Y1014 PolarHBondContact O-N 3.28Š|
| 1015 | Q | 34 | Very low | 34.2 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 67% | 0.673 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -98.3 | -27.7 | 177.8 | -69 | -174.3 | -57.4 | 0 | 0 | 114.6 | N1011 I1017 H1018 | N1011-Q1015 PolarHBondContact O-N 3.23Å; Q1015-I1017 PolarHBondContact O-N 2.9Å; Q1015-H1018 PolarHBondContact O-N 3.48Å |
| 1016 | E | 33 | Very low | 33.9 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -3.5 | -177.4 | -74.8 | -164 | 114.8 | 0 | 0 | 115.8 | Q1013 | Q1013-E1016 PolarHBondContact NE2-OE2 3.3Š|
| 1017 | I | 32 | Very low | 33.5 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 80% | 0.795 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -9.3 | -176.7 | -63.1 | 179.9 | 0 | 0 | 0 | 112.7 | Q1015 | Q1015-I1017 PolarHBondContact O-N 2.9Š|
| 1018 | H | 32.4 | Very low | 33.2 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -5.2 | -176.9 | -119.5 | -73.9 | 0 | 0 | 0 | 115.7 | Q1015 | Q1015-H1018 PolarHBondContact O-N 3.48Š|
| 1019 | E | 30.5 | Very low | 33.2 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -113 | 78 | 177.2 | -69 | -172 | 158.8 | 0 | 0 | 112.4 | | |
| 1020 | K | 32 | Very low | 32.9 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 92% | 0.917 | 73% | 0.733 | S | S | * | * | | | trans | -160.8 | 24.1 | 162.5 | -115.1 | 144.4 | -164.4 | 152.8 | 0 | 115.3 | | |
| 1021 | S | 26.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -114.3 | 41.3 | -178.9 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1022 | E | 31.7 | Very low | 32.4 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | | | trans | -124.2 | 131.5 | 171.7 | -66.5 | -161.7 | 144.6 | 0 | 0 | 111 | | |
| 1023 | T | 31.4 | Very low | 32.3 | Very low | 134 Ų | 134 | 151.1 Ų | 151.1 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -91.8 | 151.1 | -179.7 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1024 | P | 29.5 | Very low | 32.1 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | | -137.3 | 152.6 | 122.4 | 36.9 | -27.4 | 0 | 0 | 0 | 114.5 | | |
| 1025 | N | 26.3 | Very low | 32.2 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -76 | 126.6 | 169.7 | -67.7 | -60.4 | 0 | 0 | 0 | 110.9 | | |
| 1026 | L | 31.1 | Very low | 32.3 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | -140.6 | 93.5 | 166.1 | -79.4 | 168.9 | 0 | 0 | 0 | 107.9 | | |
| 1027 | L | 29 | Very low | 32.6 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | | 69.2 | 132.4 | 90.3 | -104.8 | 75.2 | 0 | 0 | 0 | 116.1 | | |
| 1028 | H | 33 | Very low | 32.8 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -95.2 | 144.1 | -168.6 | -154.2 | -82.9 | 0 | 0 | 0 | 112.8 | | |
| 1029 | P | 36.1 | Very low | 33 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | trans | -145.3 | 158.6 | 134.9 | 37 | -22.7 | 0 | 0 | 0 | 112.8 | | |
| 1030 | T | 31.8 | Very low | 33.4 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | | | cis | -168.3 | -177.5 | -13.3 | 25.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1031 | F | 32.6 | Very low | 33.7 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 77% | 0.768 | 74% | 0.741 | S | S | * | * | | | trans | 75.4 | 132.1 | 173.2 | -80.4 | -104.8 | 0 | 0 | 0 | 116.7 | | |
| 1032 | E | 37.4 | Very low | 34 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | cis | -141.8 | 170.1 | -4.2 | -157.7 | 162.4 | -162.9 | 0 | 0 | 113.1 | | |
| 1033 | Q | 35.1 | Very low | 33.9 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | trans | -71.3 | 172.2 | -166.4 | -51.4 | 174.2 | -9.7 | 0 | 0 | 112.9 | | |
| 1034 | K | 36.3 | Very low | 33.9 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | | | cis | -171.9 | 160.5 | 38.3 | -143.9 | 151.8 | -173.2 | 144.7 | 0 | 114.4 | | |
| 1035 | M | 34.5 | Very low | 33.9 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | | | trans | 82.2 | 105.1 | 158.5 | -59.8 | -162 | 68.6 | 0 | 0 | 122 | | |
| 1036 | L | 36.5 | Very low | 34.1 | Very low | 144 Ų | 144 | 136 Ų | 136 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | | | | 62.2 | 141.5 | 128.6 | -80.3 | 70.8 | 0 | 0 | 0 | 120.1 | | |
| 1037 | V | 38.4 | Very low | 34 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 65% | 0.648 | 71% | 0.711 | S | S | * | * | | | cis | -161.2 | 127.2 | -14 | 112 | 0 | 0 | 0 | 0 | 105.2 | | |
| 1038 | T | 36.8 | Very low | 34.1 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | | | | 44 | 140.6 | 101 | 87.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1039 | D | 37.1 | Very low | 34 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | | | cis | -159 | 170.4 | 27.1 | -77.5 | -70.7 | 0 | 0 | 0 | 108.9 | | |
| 1040 | D | 37.4 | Very low | 33.7 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | | | cis | -171.4 | 175.4 | -31.3 | -164 | 10.2 | 0 | 0 | 0 | 109.4 | | |
| 1041 | V | 39.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 62% | 0.624 | 71% | 0.706 | S | S | * | * | | | trans | 67.1 | 102.3 | 150.5 | 164.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1042 | N | 32.1 | Very low | 33.7 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | | | | 61.6 | 118.9 | 123.5 | -61 | -23.2 | 0 | 0 | 0 | 124.9 | | |
| 1043 | S | 29.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | | | | 96.7 | 154 | 112 | 74 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1044 | T | 31.1 | Very low | 33.9 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | | | trans | 68.4 | 107.2 | 155 | 42.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1045 | T | 29.9 | Very low | 34.3 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | | | | 64.2 | 142.2 | 126.9 | 59.7 | 0 | 0 | 0 | 0 | 122 | | |
| 1046 | H | 31.2 | Very low | 34.5 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | | | trans | 61.2 | 148.5 | 164.5 | -85.4 | -100.3 | 0 | 0 | 0 | 114.3 | | |
| 1047 | E | 28.4 | Very low | 34.6 | Very low | 126 Ų | 126 | 131 Ų | 131 | 59% | 0.589 | 72% | 0.716 | S | S | * | * | | | cis | 171 | 162 | -15 | -147.3 | -173.8 | -174.1 | 0 | 0 | 103.8 | | |
| 1048 | Q | 31.6 | Very low | 34.9 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | | | trans | 64.1 | 164.2 | 159.5 | -56.5 | 175.2 | 43.1 | 0 | 0 | 118.6 | | |
| 1049 | S | 31 | Very low | 35.3 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | trans | 52.7 | 104.7 | 162.4 | 36.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1050 | I | 29.9 | Very low | 35.2 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | | | | 78.8 | 119.1 | 61.6 | -64.2 | 163.1 | 0 | 0 | 0 | 113.4 | | |
| 1051 | N | 32 | Very low | 35.7 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | trans | 89.4 | 147.6 | 147.1 | -84.4 | -7.8 | 0 | 0 | 0 | 124.5 | | |
| 1052 | L | 32 | Very low | 35.4 | Very low | 136 Ų | 136 | 134 Ų | 134 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | | | trans | 71.1 | 138.7 | 147.4 | -91.8 | 60.3 | 0 | 0 | 0 | 119 | | |
| 1053 | M | 32.4 | Very low | 35.9 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 82% | 0.823 | 74% | 0.737 | S | S | * | * | | | cis | -169.3 | 166.6 | -23.7 | -128.5 | 177.4 | -178.3 | 0 | 0 | 112.3 | | |
| 1054 | N | 44.2 | Very low | 36.1 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | | | trans | -80.9 | 168.9 | 163 | -54.9 | -28.5 | 0 | 0 | 0 | 111.3 | | |
| 1055 | P | 44.9 | Very low | 36.1 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | | | | -143 | -168.9 | 92.2 | 36.1 | -17.1 | 0 | 0 | 0 | 111.9 | | |
| 1056 | L | 39 | Very low | 36.1 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | cis | -124.6 | 177.4 | 6.6 | -75.1 | 165.1 | 0 | 0 | 0 | 109.5 | | |
| 1057 | E | 37.8 | Very low | 36.2 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | | | cis | 81.7 | 149.7 | 25 | -89.5 | -162 | -151.2 | 0 | 0 | 117.4 | | |
| 1058 | P | 45.2 | Very low | 36.4 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 60% | 0.597 | 75% | 0.748 | S | S | * | * | | | cis | -136.6 | 178.8 | 16.8 | 36.6 | -15.6 | 0 | 0 | 0 | 118.6 | | |
| 1059 | N | 44.3 | Very low | 36.6 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | 124.3 | 95 | 145.6 | -62.8 | -40.9 | 0 | 0 | 0 | 121 | | |
| 1060 | F | 35.7 | Very low | 36.7 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | trans | 1.5 | 164.9 | 134.5 | -64.7 | -80.6 | 0 | 0 | 0 | 122.9 | | |
| 1061 | P | 46.6 | Very low | 36.8 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | cis | -133.4 | -175.8 | 15.3 | 42.6 | -25.2 | 0 | 0 | 0 | 117.5 | | |
| 1062 | S | 34.6 | Very low | 36.9 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -109.6 | 172.3 | 179.5 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1063 | P | 41.5 | Very low | 37.2 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | -146.2 | 178.5 | 96 | 41.3 | -26.2 | 0 | 0 | 0 | 115.7 | | |
| 1064 | S | 33.8 | Very low | 37.4 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | trans | -92.6 | 144.4 | -179.2 | 53 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1065 | N | 31.4 | Very low | 37.1 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | | 174 | 134.9 | 115.3 | -91.6 | -28.3 | 0 | 0 | 0 | 116.4 | | |
| 1066 | F | 29.8 | Very low | 36.6 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | 62.7 | 123.3 | 149 | -81.2 | -91.7 | 0 | 0 | 0 | 124.9 | | |
| 1067 | S | 33.2 | Very low | 36.5 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | 73 | 111.5 | 139.7 | 57.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1068 | N | 33.8 | Very low | 36.4 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | 68.5 | 144.6 | 131.8 | -59.9 | 8.3 | 0 | 0 | 0 | 121 | | |
| 1069 | S | 35 | Very low | 35.7 | Very low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | | | cis | -171.4 | 137.5 | -22.1 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1070 | S | 33.5 | Very low | 35.1 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | 45.4 | 104.1 | 150.3 | 61 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1071 | E | 32.4 | Very low | 35 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | | -170.7 | 106.3 | 113.1 | -109.3 | -173.3 | 179.8 | 0 | 0 | 111.4 | | |
| 1072 | I | 34.7 | Very low | 34 | Very low | 247 Ų | 247 | 140 Ų | 140 | 100% | 1.267 | 80% | 0.803 | S | S | * | * | | | | -149.7 | 0 | 120.1 | -61.2 | -162.7 | 0 | 0 | 0 | 105.8 | | |