| 1 | M | 44.7 | Very low | 63.3 | Low | 204 Ų | 204 | 126 Ų | 126 | 100% | 1.005 | 64% | 0.636 | S | S | * | * | | | | 0 | -40.9 | 0 | -70.1 | -167.9 | 170.8 | 0 | 0 | 117.3 | T3 | M1-T3 PolarHBondContact O-N 3.05Š|
| 2 | S | 52 | Low | 63.6 | Low | 109 Ų | 109 | 123.2 Ų | 123.2 | 76% | 0.762 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.9 | -30.9 | -170.1 | -165.2 | 0 | 0 | 0 | 0 | 116.2 | S6 | S2-S6 PolarHBondContact O-N 2.89Å |
| 3 | T | 64.4 | Low | 63.5 | Low | 113 Ų | 113 | 124.2 Ų | 124.2 | 69% | 0.693 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.4 | -41.3 | -176.8 | 38.1 | 0 | 0 | 0 | 0 | 113.8 | M1 S6 L7 | M1-T3 PolarHBondContact O-N 3.05Å; T3-S6 WeakPolarHBondContact O-CB 3.3Å; T3-S6 PolarHBondContact O-N 3.15Å; T3-L7 PolarHBondContact O-N 3.4Å |
| 4 | E | 60 | Low | 63.2 | Low | 151 Ų | 151 | 121 Ų | 121 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.2 | -38.2 | -175.4 | -169.2 | 157.2 | -131.1 | 0 | 0 | 112 | S6 L7 M8 | E4-S6 VanDerWaalsContact C-N 3.28Å; E4-S6 PolarHBondContact O-N 3.48Å; E4-L7 PolarHBondContact O-N 2.76Å; E4-M8 WeakPolarHBondContact O-CB 3.48Å; E4-M8 PolarHBondContact O-N 2.92Å |
| 5 | R | 64.7 | Low | 61.9 | Low | 204 Ų | 204 | 123.5 Ų | 123.5 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.7 | -38.7 | 171 | -161.7 | 177.8 | -167.2 | 167.2 | 6.6 | 111.5 | E9 | R5-E9 WeakPolarHBondContact O-CB 3.23Å; R5-E9 PolarHBondContact O-N 2.92Å |
| 6 | S | 69 | Low | 61.1 | Low | 63 Ų | 63 | 123.9 Ų | 123.9 | 44% | 0.441 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.7 | -40.4 | 175 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | S2 T3 E4 E10 | S2-S6 PolarHBondContact O-N 2.89Å; T3-S6 WeakPolarHBondContact O-CB 3.3Å; T3-S6 PolarHBondContact O-N 3.15Å; E4-S6 VanDerWaalsContact C-N 3.28Å; E4-S6 PolarHBondContact O-N 3.48Å; S6-E10 VanDerWaalsContact O-CB 3.23Å; S6-E10 WeakPolarHBondContact O-CB 3.21Å; S6-E10 PolarHBondContact O-N 2.73Å |
| 7 | L | 70 | Confident | 60.2 | Low | 101 Ų | 101 | 128.6 Ų | 128.6 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 175.8 | -99.6 | 165.3 | 0 | 0 | 0 | 112.2 | T3 E4 E10 H11 | T3-L7 PolarHBondContact O-N 3.4Å; E4-L7 PolarHBondContact O-N 2.76Å; L7-E10 PolarHBondContact O-N 2.92Å; L7-H11 WeakPolarHBondContact O-CB 3.41Å; L7-H11 PolarHBondContact O-CD2 3.47Å; L7-H11 PolarHBondContact O-N 2.85Å |
| 8 | M | 69.1 | Low | 59.4 | Low | 131 Ų | 131 | 128.4 Ų | 128.4 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.9 | -37 | 177.9 | -161.6 | 171 | -163.8 | 0 | 0 | 111.7 | E4 H11 L12 | E4-M8 WeakPolarHBondContact O-CB 3.48Å; E4-M8 PolarHBondContact O-N 2.92Å; M8-H11 PolarHBondContact O-N 2.63Å; M8-L12 HydrophobicContact CG-CD1 4.23Å; M8-L12 WeakPolarHBondContact O-CB 3.25Å; M8-L12 WeakPolarHBondContact O-CD1 3.44Å; M8-L12 PolarHBondContact O-N 3.11Å |
| 9 | E | 70.1 | Confident | 58.4 | Low | 105 Ų | 105 | 126.9 Ų | 126.9 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74.5 | -27 | 174.3 | -163.9 | -174.9 | -124.6 | 0 | 0 | 112.6 | R5 R13 | R5-E9 WeakPolarHBondContact O-CB 3.23Å; R5-E9 PolarHBondContact O-N 2.92Å; E9-R13 VanDerWaalsContact O-CB 3.26Å; E9-R13 WeakPolarHBondContact O-CB 3.46Å; E9-R13 VanDerWaalsContact O-CG 3.29Å; E9-R13 WeakPolarHBondContact O-CG 3.22Å; E9-R13 PolarHBondContact O-N 3.45Å; E9-R13 PolarHBondContact O-NE 3.4Å; E9-R13 VanDerWaalsContact O-NE 3.14Å; E9-R13 IonicContact OE2-CZ 2.65Å; E9-R13 IonicContact OE2-NH2 3.58Å; E9-R13 PolarHBondContact OE2-NH2 2.98Å |
| 10 | E | 66.6 | Low | 57.3 | Low | 99 Ų | 99 | 128.4 Ų | 128.4 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.3 | -44.7 | 166.9 | -177 | 165.2 | -154.6 | 0 | 0 | 111.1 | S6 L7 R13 I14 | S6-E10 VanDerWaalsContact O-CB 3.23Å; S6-E10 WeakPolarHBondContact O-CB 3.21Å; S6-E10 PolarHBondContact O-N 2.73Å; L7-E10 PolarHBondContact O-N 2.92Å; E10-R13 CarbonylContact O-C 3.59Å; E10-R13 PolarHBondContact O-N 3.37Å; E10-I14 HydrophobicContact CG-CD1 4.07Å; E10-I14 VanDerWaalsContact O-CG1 3.27Å; E10-I14 WeakPolarHBondContact O-CG1 3.02Å; E10-I14 PolarHBondContact O-N 2.94Å |
| 11 | H | 66.1 | Low | 56.3 | Low | 106 Ų | 106 | 127.3 Ų | 127.3 | 49% | 0.491 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.7 | -43.5 | 172.4 | -90.4 | -133.8 | 0 | 0 | 0 | 112.2 | L7 M8 I14 Y15 | L7-H11 WeakPolarHBondContact O-CB 3.41Å; L7-H11 PolarHBondContact O-CD2 3.47Å; L7-H11 PolarHBondContact O-N 2.85Å; M8-H11 PolarHBondContact O-N 2.63Å; H11-I14 PolarHBondContact O-N 2.87Å; H11-Y15 WeakPolarHBondContact O-CD2 3.32Å; H11-Y15 PolarHBondContact O-N 3.44Å |
| 12 | L | 66.5 | Low | 55.9 | Low | 92 Ų | 92 | 123.6 Ų | 123.6 | 48% | 0.482 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.9 | -38 | 174.1 | -98.8 | 69.1 | 0 | 0 | 0 | 111.7 | M8 I14 Y15 H16 | M8-L12 HydrophobicContact CG-CD1 4.23Å; M8-L12 WeakPolarHBondContact O-CB 3.25Å; M8-L12 WeakPolarHBondContact O-CD1 3.44Å; M8-L12 PolarHBondContact O-N 3.11Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.3Å; L12-Y15 PolarHBondContact O-N 3.5Å; L12-H16 WeakPolarHBondContact O-CB 2.95Å; L12-H16 PolarHBondContact O-N 3.17Å |
| 13 | R | 62.3 | Low | 54.8 | Low | 136 Ų | 136 | 123.3 Ų | 123.3 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.1 | -33.8 | 172 | -84.1 | 178.4 | -92.4 | 150.3 | -14.2 | 112.6 | E9 E10 R17 | E9-R13 VanDerWaalsContact O-CB 3.26Å; E9-R13 WeakPolarHBondContact O-CB 3.46Å; E9-R13 VanDerWaalsContact O-CG 3.29Å; E9-R13 WeakPolarHBondContact O-CG 3.22Å; E9-R13 PolarHBondContact O-N 3.45Å; E9-R13 PolarHBondContact O-NE 3.4Å; E9-R13 VanDerWaalsContact O-NE 3.14Å; E9-R13 IonicContact OE2-CZ 2.65Å; E9-R13 IonicContact OE2-NH2 3.58Å; E9-R13 PolarHBondContact OE2-NH2 2.98Å; E10-R13 CarbonylContact O-C 3.59Å; E10-R13 PolarHBondContact O-N 3.37Å; R13-R17 WeakPolarHBondContact O-CB 3.09Å; R13-R17 PolarHBondContact O-N 2.85Å |
| 14 | I | 59.1 | Low | 53.3 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 41% | 0.41 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.1 | -48.2 | 173.7 | -70.6 | 163.5 | 0 | 0 | 0 | 110.3 | E10 H11 L12 R17 I18 | E10-I14 HydrophobicContact CG-CD1 4.07Å; E10-I14 VanDerWaalsContact O-CG1 3.27Å; E10-I14 WeakPolarHBondContact O-CG1 3.02Å; E10-I14 PolarHBondContact O-N 2.94Å; H11-I14 PolarHBondContact O-N 2.87Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.3Å; I14-R17 PolarHBondContact O-N 2.96Å; I14-I18 HydrophobicContact CG2-CD1 3.7Å; I14-I18 WeakPolarHBondContact O-CB 3.48Å; I14-I18 WeakPolarHBondContact O-CD1 3.47Å; I14-I18 VanDerWaalsContact O-CG1 3.24Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.28Å |
| 15 | Y | 44 | Very low | 51.9 | Low | 159 Ų | 159 | 124 Ų | 124 | 62% | 0.624 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.8 | -38.7 | 178.9 | -90.3 | -84.1 | 0 | 0 | 0 | 113.3 | H11 L12 I18 T19 | H11-Y15 WeakPolarHBondContact O-CD2 3.32Å; H11-Y15 PolarHBondContact O-N 3.44Å; L12-Y15 PolarHBondContact O-N 3.5Å; Y15-I18 PolarHBondContact O-N 2.7Å; Y15-T19 PolarHBondContact O-N 2.91Å; Y15-T19 PolarHBondContact O-OG1 3.37Å |
| 16 | H | 49.2 | Very low | 50.2 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 172 | -88.4 | -70.6 | 0 | 0 | 0 | 112.3 | L12 I18 T19 E20 | L12-H16 WeakPolarHBondContact O-CB 2.95Å; L12-H16 PolarHBondContact O-N 3.17Å; H16-I18 PolarHBondContact O-N 2.97Å; H16-T19 WeakPolarHBondContact CA-OG1 3.12Å; H16-T19 CarbonylContact O-C 3.28Å; H16-T19 PolarHBondContact O-N 3.17Å; H16-T19 PolarHBondContact O-OG1 3.34Å; H16-E20 PolarHBondContact O-N 3.31Å |
| 17 | R | 46.1 | Very low | 48.5 | Very low | 205 Ų | 205 | 125.9 Ų | 125.9 | 77% | 0.774 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.1 | -20.2 | 173.2 | -170.6 | 176.8 | -67.5 | -162.2 | -0.5 | 113.5 | R13 I14 | R13-R17 WeakPolarHBondContact O-CB 3.09Å; R13-R17 PolarHBondContact O-N 2.85Å; I14-R17 PolarHBondContact O-N 2.96Å |
| 18 | I | 45.7 | Very low | 46.5 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -88.9 | -15 | 173.8 | -70.9 | 167.7 | 0 | 0 | 0 | 112.2 | I14 Y15 H16 | I14-I18 HydrophobicContact CG2-CD1 3.7Å; I14-I18 WeakPolarHBondContact O-CB 3.48Å; I14-I18 WeakPolarHBondContact O-CD1 3.47Å; I14-I18 VanDerWaalsContact O-CG1 3.24Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.28Å; Y15-I18 PolarHBondContact O-N 2.7Å; H16-I18 PolarHBondContact O-N 2.97Å |
| 19 | T | 40.1 | Very low | 44.6 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -103.8 | -6.7 | 175.9 | 40.6 | 0 | 0 | 0 | 0 | 113.9 | Y15 H16 N21 | Y15-T19 PolarHBondContact O-N 2.91Å; Y15-T19 PolarHBondContact O-OG1 3.37Å; H16-T19 WeakPolarHBondContact CA-OG1 3.12Å; H16-T19 CarbonylContact O-C 3.28Å; H16-T19 PolarHBondContact O-N 3.17Å; H16-T19 PolarHBondContact O-OG1 3.34Å; T19-N21 PolarHBondContact O-N 2.84Å |
| 20 | E | 36.1 | Very low | 42.6 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -70.2 | 94.8 | 162.6 | -78.6 | -170.9 | 172.5 | 0 | 0 | 110.6 | H16 P22 | H16-E20 PolarHBondContact O-N 3.31Å; E20-P22 WeakPolarHBondContact O-CD 3.07Å |
| 21 | N | 35.7 | Very low | 41.1 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 57% | 0.567 | 69% | 0.685 | S | S | * | * | | | trans | -51.7 | 116.3 | 179.9 | 178.5 | 11.9 | 0 | 0 | 0 | 113.4 | T19 S23 | T19-N21 PolarHBondContact O-N 2.84Å; N21-S23 VanDerWaalsContact C-N 3.26Å; N21-S23 PolarHBondContact O-N 3.12Å; N21-S23 VanDerWaalsContact OD1-CB 3.3Å; N21-S23 WeakPolarHBondContact OD1-CB 3.38Å; N21-S23 PolarHBondContact OD1-N 3.1Å |
| 22 | P | 36.3 | Very low | 39.4 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -75.9 | -9.7 | 176.9 | 31.6 | -35.3 | 0 | 0 | 0 | 113.8 | E20 A24 | E20-P22 WeakPolarHBondContact O-CD 3.07Å; P22-A24 VanDerWaalsContact C-N 3.31Å; P22-A24 PolarHBondContact O-N 3.27Å |
| 23 | S | 30.5 | Very low | 37.8 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | | | trans | -92 | 31 | -173.4 | -53.3 | 0 | 0 | 0 | 0 | 114 | N21 | N21-S23 VanDerWaalsContact C-N 3.26Å; N21-S23 PolarHBondContact O-N 3.12Å; N21-S23 VanDerWaalsContact OD1-CB 3.3Å; N21-S23 WeakPolarHBondContact OD1-CB 3.38Å; N21-S23 PolarHBondContact OD1-N 3.1Å |
| 24 | A | 31.2 | Very low | 36.1 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 60% | 0.595 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -127 | 36.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P22 | P22-A24 VanDerWaalsContact C-N 3.31Å; P22-A24 PolarHBondContact O-N 3.27Å |
| 25 | K | 31.6 | Very low | 34.6 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.896 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -161.2 | 33.6 | 174.5 | -122.1 | 153.7 | -166.1 | 160.3 | 0 | 117.6 | | |
| 26 | L | 29.5 | Very low | 34.1 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -146.2 | 28.2 | 178.7 | -120.1 | 170.2 | 0 | 0 | 0 | 117 | | |
| 27 | I | 32.3 | Very low | 33.3 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -140.8 | 98.3 | 154.4 | -83.3 | 119.6 | 0 | 0 | 0 | 107.4 | | |
| 28 | E | 29.2 | Very low | 32.6 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | trans | -160.8 | 65.2 | 154.6 | -163 | -179.1 | -117.2 | 0 | 0 | 109.1 | | |
| 29 | R | 27.8 | Very low | 32.2 | Very low | 220 Ų | 220 | 136.7 Ų | 136.7 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -168.5 | 116.8 | 164.5 | -107 | 157.3 | -149.9 | -124.9 | -0.5 | 109.9 | | |
| 30 | F | 29.7 | Very low | 31.8 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 82% | 0.82 | 76% | 0.76 | S | S | * | * | | | trans | 73.4 | 55.6 | 164.4 | -47 | -63 | 0 | 0 | 0 | 119.2 | | |
| 31 | H | 33.8 | Very low | 31.7 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | | -106.9 | 141.2 | 122 | -74.2 | -83.3 | 0 | 0 | 0 | 107 | | |
| 32 | T | 30.2 | Very low | 31.8 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | cis | -156.6 | 161.6 | -26.7 | 2 | 0 | 0 | 0 | 0 | 105.2 | | |
| 33 | P | 32.7 | Very low | 31.4 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | | | trans | -84 | 155.4 | -166.7 | 34.5 | -36.2 | 0 | 0 | 0 | 114.1 | | |
| 34 | T | 27.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 62.8 | 145.3 | 161 | 56.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 35 | T | 28.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | | | cis | -167.4 | 137.6 | -6.4 | 16.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 36 | T | 33.2 | Very low | 32 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | -171.9 | 128.6 | 133.8 | 26.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 37 | S | 30.9 | Very low | 32.4 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | cis | 90.3 | 83.9 | 43.9 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 38 | D | 32 | Very low | 32.4 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | | -94.7 | 115.2 | 115.3 | -85.7 | -51.3 | 0 | 0 | 0 | 106.2 | | |
| 39 | A | 37.8 | Very low | 32.7 | Very low | 66 Ų | 66 | 130 Ų | 130 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | | | | 79.2 | 91.2 | 75.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 40 | L | 32.3 | Very low | 33 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | | 64.7 | 130 | 75 | -62.1 | 166.5 | 0 | 0 | 0 | 112 | | |
| 41 | G | 33.7 | Very low | 33.2 | Very low | 60 Ų | 60 | 123.8 Ų | 123.8 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | | | cis | -157.1 | -162.3 | -4.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 42 | F | 37.1 | Very low | 33.2 | Very low | 190 Ų | 190 | 118.9 Ų | 118.9 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | | | cis | -143.9 | 160.1 | 7.2 | -81.2 | -106.4 | 0 | 0 | 0 | 106.6 | | |
| 43 | S | 27.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 116.7 Ų | 116.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | | 41.6 | 138.9 | 76 | -136.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 44 | C | 31.3 | Very low | 33.2 | Very low | 105 Ų | 105 | 118 Ų | 118 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | | | cis | -138.1 | -170.3 | 5.6 | 53.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 45 | V | 36.5 | Very low | 33.4 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | cis | -148.4 | 168.3 | 20.6 | -130.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 46 | T | 39.3 | Very low | 34.1 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -90.8 | 177.8 | 160.6 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 47 | P | 37 | Very low | 34 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | | -132.9 | 163.6 | 105.9 | 41.4 | -33.6 | 0 | 0 | 0 | 111.8 | | |
| 48 | S | 32 | Very low | 33.9 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | cis | -144 | 134.6 | 22.8 | -48.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 49 | T | 36.6 | Very low | 33.8 | Very low | 120 Ų | 120 | 121 Ų | 121 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | 52.3 | 137.8 | 131.2 | 63.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 50 | M | 34.6 | Very low | 33.6 | Very low | 171 Ų | 171 | 123.1 Ų | 123.1 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | cis | -165.8 | 162.7 | -1.5 | -120.3 | 173.3 | 78.6 | 0 | 0 | 112.6 | | |
| 51 | S | 33.9 | Very low | 33.7 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | 18.4 | 144.5 | 152.4 | -139.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 52 | G | 32.3 | Very low | 33.7 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | cis | 108.5 | 126.5 | 3.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 53 | G | 32.1 | Very low | 33.5 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | | | trans | 114.2 | 86.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 54 | T | 32.5 | Very low | 33.8 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | 36.3 | 123.3 | 134.2 | 51.3 | 0 | 0 | 0 | 0 | 124.4 | | |
| 55 | L | 30.5 | Very low | 34 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | trans | 75.5 | 178.2 | 136.8 | -54.5 | 172.1 | 0 | 0 | 0 | 117.4 | | |
| 56 | P | 42.4 | Very low | 33.9 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | | -135.4 | 172.6 | -98.1 | 38.1 | -17.4 | 0 | 0 | 0 | 116.1 | | |
| 57 | L | 32.8 | Very low | 33.6 | Very low | 180 Ų | 180 | 120.2 Ų | 120.2 | 94% | 0.942 | 76% | 0.762 | S | S | * | * | | | trans | -163.4 | 175.9 | 156.2 | -111.6 | 168 | 0 | 0 | 0 | 111.9 | | |
| 58 | S | 28.2 | Very low | 33.1 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | trans | -148.1 | 176.6 | -162.5 | -170.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 59 | L | 29 | Very low | 33.1 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | | | trans | 74.8 | 141.5 | 172.6 | -46.7 | 169.8 | 0 | 0 | 0 | 114.3 | | |
| 60 | T | 33.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | | | cis | -155.5 | 165.6 | 22.9 | 41.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 61 | N | 35.4 | Very low | 32.6 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | 63 | 113.1 | 154.4 | -67.5 | -2.3 | 0 | 0 | 0 | 117.8 | | |
| 62 | S | 32.8 | Very low | 32.4 | Very low | 102 Ų | 102 | 123.3 Ų | 123.3 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | cis | 61.1 | 138.1 | 16.3 | -35.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 63 | N | 33.8 | Very low | 32.4 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | cis | -73 | -165.1 | -0.5 | -62.1 | -58.9 | 0 | 0 | 0 | 111.5 | | |
| 64 | A | 33 | Very low | 32.3 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | cis | -160.3 | 157.8 | 13.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 65 | T | 35.1 | Very low | 32.3 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | cis | -167.7 | 143.3 | -8.7 | 13.4 | 0 | 0 | 0 | 0 | 105.8 | | |
| 66 | T | 35.5 | Very low | 32.5 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | cis | -147.6 | 170.7 | 4.6 | -49.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 67 | A | 33.1 | Very low | 32.1 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | | | trans | 58.8 | 83.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 68 | Q | 26.6 | Very low | 32 | Very low | 193 Ų | 193 | 120.8 Ų | 120.8 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | | | trans | -81.7 | 146.7 | 155.1 | -65.3 | 179.7 | -28.7 | 0 | 0 | 110.5 | | |
| 69 | S | 31.5 | Very low | 32.3 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | -165.1 | 121.3 | 136.1 | 36.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 70 | S | 31.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | | | trans | 48.6 | 118 | 142.8 | 60.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 71 | L | 29 | Very low | 32.5 | Very low | 168 Ų | 168 | 120.5 Ų | 120.5 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | | | trans | 82.7 | 157.5 | 137.2 | -61.5 | 165.4 | 0 | 0 | 0 | 119.8 | | |
| 72 | A | 30.6 | Very low | 32.3 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | | | trans | 57.3 | 64.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 73 | L | 31.8 | Very low | 32.2 | Very low | 171 Ų | 171 | 123.5 Ų | 123.5 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | | | trans | -104.4 | 123.7 | 165.4 | -75 | 177.5 | 0 | 0 | 0 | 112.7 | | |
| 74 | N | 30.5 | Very low | 32.2 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | trans | -111.2 | 164.9 | 159.2 | -163.4 | -20 | 0 | 0 | 0 | 106.9 | | |
| 75 | L | 31.4 | Very low | 32 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | | | trans | 73.9 | 155.7 | -164.8 | -65.7 | 72.2 | 0 | 0 | 0 | 112.9 | | |
| 76 | V | 35.2 | Very low | 32 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | cis | -134.6 | 160.5 | 34 | 176.5 | 0 | 0 | 0 | 0 | 113.5 | Q1074 | V76-Q1074 VanDerWaalsContact C-NE2 3.34Å; V76-Q1074 PolarHBondContact O-OE1 3.03Å |
| 77 | N | 34.4 | Very low | 31.8 | Very low | 44 Ų | 44 | 128 Ų | 128 | 24% | 0.235 | 75% | 0.748 | C | S | . | * | | | trans | -80.3 | 155.2 | -171.6 | -165.6 | 23.7 | 0 | 0 | 0 | 116 | I1073 Q1074 K1075 P1076 | N77-I1073 HydrophobicContact CB-CG2 4.48Å; N77-I1073 WeakPolarHBondContact OD1-CG2 3.38Å; N77-I1073 PolarHBondContact OD1-O 3.11Å; N77-Q1074 HydrophobicContact CB-CB 3.62Å; N77-Q1074 VanDerWaalsContact CG-C 3.46Å; N77-Q1074 VanDerWaalsContact CG-CB 3.48Å; N77-Q1074 PolarHBondContact ND2-O 3.45Å; N77-Q1074 VanDerWaalsContact OD1-C 3.31Å; N77-Q1074 WeakPolarHBondContact OD1-CA 3.41Å; N77-Q1074 WeakPolarHBondContact OD1-CB 3.18Å; N77-Q1074 PolarHBondContact OD1-O 3.48Å; N77-K1075 VanDerWaalsContact CB-O 3.24Å; N77-K1075 WeakPolarHBondContact CB-O 3.4Å; N77-K1075 PolarHBondContact ND2-O 2.65Å; N77-K1075 VanDerWaalsContact ND2-O 3.1Å; N77-P1076 WeakPolarHBondContact ND2-CD 3.39Å |
| 78 | A | 30.1 | Very low | 31.9 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 56% | 0.562 | 74% | 0.743 | S | S | * | * | | | trans | 64.8 | 136.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 79 | I | 34.7 | Very low | 32.2 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 90% | 0.903 | 74% | 0.735 | S | S | * | * | | | trans | -156.9 | 153 | 133 | -103.9 | 155.6 | 0 | 0 | 0 | 108.2 | | |
| 80 | A | 36.7 | Very low | 32 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | | | trans | -101.2 | 175.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 81 | A | 29.9 | Very low | 32.1 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | trans | -79.2 | 153.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 82 | L | 31.7 | Very low | 32.3 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | | | | -164.9 | 147.9 | 110.7 | -125.3 | 80.1 | 0 | 0 | 0 | 113.8 | | |
| 83 | Q | 30.8 | Very low | 32.5 | Very low | 158 Ų | 158 | 130 Ų | 130 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | trans | 0 | 129.5 | 150.9 | -59.6 | 163.3 | 4.4 | 0 | 0 | 119.3 | | |
| 84 | H | 33.5 | Very low | 32.5 | Very low | 187 Ų | 187 | 127.8 Ų | 127.8 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | | | | -162.8 | 150.5 | 110.5 | -118.5 | -84.8 | 0 | 0 | 0 | 111.8 | | |
| 85 | A | 29.8 | Very low | 32.8 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 69% | 0.694 | 72% | 0.723 | S | S | * | * | | | trans | -95.7 | 126 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 86 | N | 34 | Very low | 33 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | | | trans | -167.3 | 135.6 | 149.4 | -109 | -57.1 | 0 | 0 | 0 | 113 | | |
| 87 | K | 31.9 | Very low | 33 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | | | trans | 29.9 | 150.9 | 133.6 | -68.1 | 179 | -179.3 | 176.5 | 0 | 122.8 | | |
| 88 | T | 34.7 | Very low | 33.1 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | | | trans | 67.2 | 119.8 | 148.6 | 43.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 89 | Q | 33 | Very low | 33.3 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | | 54.3 | 97.6 | 83.2 | -73.4 | -178.9 | -43.1 | 0 | 0 | 111.8 | | |
| 90 | S | 27.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | | 70.4 | 101.1 | 78.4 | 74.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 91 | Q | 33.5 | Very low | 33.2 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | -175 | 143.7 | 170.6 | -105.4 | 157.6 | 98.2 | 0 | 0 | 105.5 | | |
| 92 | Q | 32.7 | Very low | 33.2 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | cis | -130.5 | 173.5 | 4.5 | -54.9 | 172.4 | -59.1 | 0 | 0 | 108.1 | | |
| 93 | A | 33.5 | Very low | 33.2 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | cis | -148.7 | 151.9 | 13.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 94 | T | 33.1 | Very low | 33.3 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | trans | -16.8 | 160.2 | 144.4 | 55.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 95 | V | 36.5 | Very low | 33 | Very low | 122 Ų | 122 | 121 Ų | 121 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | | | cis | -143 | -168.6 | 22.8 | -129.6 | 0 | 0 | 0 | 0 | 109.3 | T97 | V95-T97 HydrophobicContact CG1-CG2 4.38Š|
| 96 | S | 36.4 | Very low | 33 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | cis | -155.8 | 131.8 | 7.1 | -117.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 97 | T | 33.8 | Very low | 32.9 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | | 75.6 | 93.3 | 68.3 | 68 | 0 | 0 | 0 | 0 | 117.9 | V95 | V95-T97 HydrophobicContact CG1-CG2 4.38Š|
| 98 | A | 36.8 | Very low | 32.8 | Very low | 92 Ų | 92 | 119.8 Ų | 119.8 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | -179.3 | 124.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 99 | S | 33.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | | 62.6 | 130.1 | 64.3 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 100 | S | 35.7 | Very low | 32.8 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | cis | -173.4 | 142.9 | 1 | 45.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 101 | S | 34 | Very low | 33 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | 47.5 | 136.5 | 144.1 | 64.4 | 0 | 0 | 0 | 0 | 124.7 | | |
| 102 | C | 31.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 77 | 151.3 | 148 | 111.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 103 | T | 31.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | cis | -159.2 | 171.2 | -21.4 | -38.2 | 0 | 0 | 0 | 0 | 109 | | |
| 104 | T | 32 | Very low | 33.1 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | | | trans | 84.3 | 108.5 | 147.6 | -54.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 105 | C | 26.9 | Very low | 33.1 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | | | trans | 47.1 | 135.6 | 137 | -57.6 | 0 | 0 | 0 | 0 | 124.7 | | |
| 106 | T | 29.5 | Very low | 33 | Very low | 133 Ų | 133 | 120 Ų | 120 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | | | trans | 63.5 | 140.6 | 147.9 | 55.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 107 | V | 31.9 | Very low | 32.9 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | cis | -147 | 156.7 | 40.5 | 165 | 0 | 0 | 0 | 0 | 111 | | |
| 108 | S | 29.8 | Very low | 33 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -70.1 | 140.2 | 175.9 | -43.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 109 | T | 35.5 | Very low | 32.9 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | trans | -130.2 | 154 | 151.5 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 110 | V | 32.6 | Very low | 33.2 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | -128.8 | 158.1 | -165.1 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 111 | S | 32.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | 85 | 144.1 | 176.1 | 87.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 112 | S | 35.9 | Very low | 32.8 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | cis | -149.6 | 151.2 | 0.8 | 48.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 113 | T | 33.3 | Very low | 33 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | 58.8 | 118.5 | 149.9 | 47.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 114 | K | 32.4 | Very low | 33.1 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 59.7 | 111.6 | 142.4 | -74.5 | -173.2 | 172 | -177.6 | 0 | 120.9 | | |
| 115 | N | 32.8 | Very low | 33.1 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | | -175.1 | 159.6 | 102.9 | -96.7 | -9.2 | 0 | 0 | 0 | 114.3 | | |
| 116 | T | 34.9 | Very low | 33.3 | Very low | 112 Ų | 112 | 139 Ų | 139 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | | | trans | 34.7 | 96.8 | 153 | -44.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 117 | I | 34.2 | Very low | 33.3 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | | 73.9 | 130.8 | 86 | -65.1 | 168.1 | 0 | 0 | 0 | 114.1 | | |
| 118 | I | 36.8 | Very low | 33.4 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | | | trans | -130.5 | 162.3 | -162.9 | -74.4 | 176.3 | 0 | 0 | 0 | 112.7 | | |
| 119 | T | 33.7 | Very low | 33.5 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -61.2 | 167.8 | -178.6 | 40.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 120 | P | 40.8 | Very low | 33.5 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -102.8 | 172.7 | -172.1 | 41.9 | -38.1 | 0 | 0 | 0 | 116.1 | | |
| 121 | T | 34.3 | Very low | 33.5 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | 65.7 | 103.9 | 154.1 | -45.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 122 | A | 27.3 | Very low | 33.5 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -161.5 | 152.7 | 135.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 123 | E | 33.8 | Very low | 33.2 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | trans | -94.1 | 171.5 | 172.4 | -71.5 | -169.4 | 135.6 | 0 | 0 | 112.4 | | |
| 124 | N | 34.8 | Very low | 33.3 | Very low | 169 Ų | 169 | 145 Ų | 145 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | | | trans | -77.7 | 171.4 | -159.2 | -72.1 | -63.8 | 0 | 0 | 0 | 116.4 | | |
| 125 | L | 32.3 | Very low | 33.1 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | -110.3 | 152.4 | 171 | -164.1 | 74.3 | 0 | 0 | 0 | 111.1 | | |
| 126 | E | 30.8 | Very low | 33 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | trans | 77.8 | 157.5 | 165.8 | -87.9 | 171.1 | 164.1 | 0 | 0 | 120 | | |
| 127 | N | 29.6 | Very low | 32.7 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -143.4 | 158.4 | -157.9 | -36 | -101 | 0 | 0 | 0 | 109.9 | | |
| 128 | S | 32.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | 170.5 | 174.4 | 138.6 | -81.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 129 | E | 32 | Very low | 32.2 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | 81.1 | 160.5 | 173.3 | -58.1 | -171.2 | 174.8 | 0 | 0 | 118.5 | | |
| 130 | Q | 35.5 | Very low | 32.1 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | | -167 | 157.9 | -71.5 | -114.9 | 175.2 | -110.8 | 0 | 0 | 110.4 | | |
| 131 | D | 32.4 | Very low | 31.5 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | | | trans | 60.7 | 105.8 | 148.2 | -66.9 | -38.8 | 0 | 0 | 0 | 124.1 | | |
| 132 | T | 33.9 | Very low | 31.4 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | | 97.6 | 140.1 | 119.8 | 66.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 133 | N | 29.4 | Very low | 31.5 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | 61.8 | 164.8 | 153.7 | -74.2 | -70.7 | 0 | 0 | 0 | 119.9 | | |
| 134 | L | 33.9 | Very low | 31.2 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | cis | -167.4 | 143.4 | -46.7 | -161.8 | 76 | 0 | 0 | 0 | 110.1 | | |
| 135 | D | 29.3 | Very low | 30.7 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | 70.8 | 153.6 | 149 | -107.6 | -31 | 0 | 0 | 0 | 125.2 | | |
| 136 | M | 29.9 | Very low | 30.5 | Very low | 159 Ų | 159 | 140 Ų | 140 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | 62.4 | 86.6 | 148.1 | -68.5 | -75.9 | -83.8 | 0 | 0 | 121.1 | | |
| 137 | Q | 29.2 | Very low | 30.4 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | trans | -47.3 | 137.8 | 149.4 | 174.6 | 175.4 | 13.6 | 0 | 0 | 115 | | |
| 138 | V | 31.1 | Very low | 30.4 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | | | trans | -166.8 | 124.9 | 155.8 | 127.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 139 | Y | 30.1 | Very low | 30.3 | Very low | 212 Ų | 212 | 140.7 Ų | 140.7 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | trans | 65.8 | 155.2 | 156.6 | -72.1 | -139.3 | 0 | 0 | 0 | 116.7 | | |
| 140 | Q | 30.9 | Very low | 30.3 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | cis | -156 | 170.4 | -7.7 | -118 | -71.8 | 70.2 | 0 | 0 | 110.6 | | |
| 141 | D | 28 | Very low | 30.5 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | | | trans | 4 | 143.4 | 164 | -71.4 | -40.2 | 0 | 0 | 0 | 122.4 | | |
| 142 | G | 32 | Very low | 30.7 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | | | trans | -176 | 88.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 143 | T | 29.3 | Very low | 30.6 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | | | trans | -83.1 | 135.9 | -178.3 | 36.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 144 | V | 27.1 | Very low | 30.8 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | | | | 50.4 | 107.1 | 124 | -175.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 145 | T | 25.2 | Very low | 30.7 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | | | trans | 69.5 | 162.1 | 148.1 | 60.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 146 | V | 28.6 | Very low | 31.6 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | | | trans | 110.1 | 126.9 | 155.1 | -174.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 147 | E | 28.4 | Very low | 31.7 | Very low | 174 Ų | 174 | 122.7 Ų | 122.7 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | | | trans | 57.4 | 124.8 | 163 | -75.3 | 161.3 | -175.7 | 0 | 0 | 119.3 | | |
| 148 | A | 28.5 | Very low | 31.9 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | | 77.8 | 143.4 | 73.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 149 | Q | 32.5 | Very low | 31.9 | Very low | 187 Ų | 187 | 122.4 Ų | 122.4 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | | | cis | -136.4 | 167.7 | 25.4 | -65 | 168.8 | -7 | 0 | 0 | 114 | | |
| 150 | T | 30.6 | Very low | 32 | Very low | 131 Ų | 131 | 119.8 Ų | 119.8 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | -67.7 | 175.5 | 164.9 | 37.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 151 | P | 40.9 | Very low | 32 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | | | cis | -160.2 | 157.2 | 36.3 | 44.6 | -21.4 | 0 | 0 | 0 | 122.2 | | |
| 152 | T | 35.5 | Very low | 32.1 | Very low | 79 Ų | 79 | 115.6 Ų | 115.6 | 49% | 0.485 | 73% | 0.731 | S | S | . | * | | | trans | 59.6 | 144.9 | 135.4 | 63 | 0 | 0 | 0 | 0 | 122.3 | K567 | T152-K567 VanDerWaalsContact CB-CD 3.45Å; T152-K567 HydrophobicContact CG2-CD 3.97Å; T152-K567 VanDerWaalsContact OG1-CD 3.26Å; T152-K567 WeakPolarHBondContact OG1-CD 3.3Å; T152-K567 PolarHBondContact OG1-NZ 3.09Å |
| 153 | L | 32.8 | Very low | 32.1 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 48% | 0.476 | 73% | 0.73 | S | S | . | * | | | cis | -169.2 | 178.6 | -12.7 | -146.5 | 110.7 | 0 | 0 | 0 | 110.6 | T566 K567 | L153-T566 WeakPolarHBondContact CD1-OG1 3.46Å; L153-T566 WeakPolarHBondContact CD2-O 3.2Å; L153-T566 VanDerWaalsContact CD2-OG1 3.31Å; L153-T566 WeakPolarHBondContact CD2-OG1 3.19Å; L153-K567 HydrophobicContact CB-CB 3.94Å |
| 154 | G | 32.1 | Very low | 32.2 | Very low | 57 Ų | 57 | 122.2 Ų | 122.2 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | | | trans | 166.9 | 140.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 155 | S | 33.7 | Very low | 32.6 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | -148.9 | -155 | -169 | -57.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 156 | P | 47.1 | Very low | 33.1 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | | -138.1 | 179.1 | -107.1 | 43.8 | -24.6 | 0 | 0 | 0 | 117.6 | | |
| 157 | A | 32.9 | Very low | 33.2 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | -179 | 163.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 158 | F | 33.3 | Very low | 33.2 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | | | cis | -141.1 | 148 | 11 | -83.2 | -83.5 | 0 | 0 | 0 | 108.9 | | |
| 159 | S | 30.8 | Very low | 33.7 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | | 57.9 | 140.2 | 84.7 | -44.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 160 | I | 31.4 | Very low | 34.2 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | cis | -164.9 | 160.5 | 11.2 | -128 | 165.1 | 0 | 0 | 0 | 113.6 | | |
| 161 | S | 31.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | 67.8 | 155.1 | 161.8 | -162 | 0 | 0 | 0 | 0 | 122 | | |
| 162 | G | 29.6 | Very low | 34.2 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | trans | 178.6 | -14.7 | 170 | 0 | 0 | 0 | 0 | 0 | 127.5 | | |
| 163 | S | 32.4 | Very low | 34.1 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | 68.8 | 101.1 | 167.8 | -155.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 164 | R | 31.5 | Very low | 34.1 | Very low | 238 Ų | 238 | 142.6 Ų | 142.6 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | | 43.3 | 122.3 | 126.8 | -175 | -176.4 | -70.7 | -131.3 | -1.8 | 122.2 | | |
| 165 | R | 35.7 | Very low | 33.9 | Very low | 229 Ų | 229 | 145.3 Ų | 145.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -142.6 | 106.6 | 153.4 | -157.9 | 178.2 | -169.5 | -157.5 | 2.9 | 116.4 | | |
| 166 | R | 35 | Very low | 33.9 | Very low | 233 Ų | 233 | 148 Ų | 148 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | | | trans | 48.2 | 131 | 148.4 | -59.4 | -173.5 | 179.8 | -171.6 | -1.2 | 123.1 | | |
| 167 | K | 30.3 | Very low | 33.2 | Very low | 213 Ų | 213 | 147.1 Ų | 147.1 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | | | trans | -33.3 | 151.2 | 165.2 | -68.1 | -179.9 | 169.9 | -175.2 | 0 | 118 | | |
| 168 | A | 29.6 | Very low | 33.3 | Very low | 89 Ų | 89 | 148 Ų | 148 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | trans | -148.1 | 160.2 | 136.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 169 | T | 39.3 | Very low | 33.3 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | | | trans | 59 | 119.4 | 154.7 | -35.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 170 | T | 43.2 | Very low | 33.5 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | | | trans | -102.7 | 139.7 | 151.4 | -30.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 171 | P | 35.5 | Very low | 33.6 | Very low | 119 Ų | 119 | 146 Ų | 146 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | | -147.8 | 168.7 | 104.8 | 39.3 | -24.5 | 0 | 0 | 0 | 114.1 | | |
| 172 | G | 35.4 | Very low | 33.6 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | 135.4 | 102.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 173 | R | 34.3 | Very low | 33.6 | Very low | 239 Ų | 239 | 149.9 Ų | 149.9 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -98.2 | 143.9 | 143.4 | -73 | -168.5 | -173.5 | -157 | 6.2 | 107.4 | | |
| 174 | I | 32 | Very low | 33.6 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | | -172.5 | 151.3 | 124.7 | -95.4 | 153.7 | 0 | 0 | 0 | 107.7 | | |
| 175 | C | 28.6 | Very low | 33.5 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | -83.1 | 163.6 | -172.5 | -46.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 176 | L | 33.3 | Very low | 33.4 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | | -172.4 | 137.8 | 118 | -99.3 | 159.6 | 0 | 0 | 0 | 113.4 | | |
| 177 | S | 32.7 | Very low | 33.3 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | 22.2 | 135.3 | 153.8 | 53.6 | 0 | 0 | 0 | 0 | 123 | | |
| 178 | A | 33.5 | Very low | 33.4 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | -65.3 | 171.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 179 | S | 35.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | cis | -163.7 | 179.7 | 31.4 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 180 | K | 34.8 | Very low | 33.1 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -4.5 | 144.4 | 166.3 | -67.2 | 178.5 | 177.5 | 179.2 | 0 | 118.8 | | |
| 181 | S | 31.6 | Very low | 32.7 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | cis | -164 | -147.8 | -4.8 | 44.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 182 | T | 32.2 | Very low | 32.5 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | cis | -162.3 | -169.2 | 15 | -23.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 183 | N | 29.8 | Very low | 32.3 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -67.9 | 162.6 | -172.3 | -55.6 | -6.4 | 0 | 0 | 0 | 117.2 | | |
| 184 | S | 32.9 | Very low | 32.3 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -105.6 | 156.6 | 168.7 | 52 | 0 | 0 | 0 | 0 | 112.8 | | |
| 185 | C | 28.9 | Very low | 32.4 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | -126 | 170 | -173 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 186 | S | 33.4 | Very low | 32.4 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -148.6 | 109.9 | 160.9 | 52.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 187 | S | 33.5 | Very low | 32.3 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | | 94.4 | 141.6 | 55.7 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 188 | S | 31.5 | Very low | 32.1 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | cis | -170.5 | 137.1 | -14.5 | -92.5 | 0 | 0 | 0 | 0 | 110 | | |
| 189 | E | 31.4 | Very low | 31.8 | Very low | 191 Ų | 191 | 129.6 Ų | 129.6 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -157 | 149.5 | 170.3 | -91 | 170.8 | -99.2 | 0 | 0 | 108.3 | | |
| 190 | E | 31.6 | Very low | 31.9 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | cis | -164.1 | 164.7 | -29.8 | -130.3 | -59.3 | 78.7 | 0 | 0 | 109.8 | | |
| 191 | G | 34.9 | Very low | 31.6 | Very low | 53 Ų | 53 | 129.2 Ų | 129.2 | 55% | 0.546 | 76% | 0.763 | S | S | . | * | | | trans | 76.3 | 91.8 | 139.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 192 | D | 30.4 | Very low | 31.6 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | 33.3 | 119.8 | 150.7 | -81.6 | -30.8 | 0 | 0 | 0 | 123.8 | | |
| 193 | V | 32.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | | | | 37.4 | 108.2 | 126.9 | -170.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 194 | S | 33.2 | Very low | 31.9 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | | -170.5 | 122.1 | 126.2 | 33.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 195 | T | 34.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | | 51.7 | 95.9 | 118.1 | -46.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 196 | C | 28.5 | Very low | 32.2 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | | | | 56.9 | 131 | 126 | -77.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 197 | K | 31.6 | Very low | 32.5 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | | | trans | 75.4 | 160.6 | 130.1 | -71.4 | -180 | -179.6 | 176.3 | 0 | 119.5 | | |
| 198 | I | 29.2 | Very low | 32.2 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | | | cis | -166.9 | 156.2 | -36.8 | -144.5 | 172.3 | 0 | 0 | 0 | 108.6 | | |
| 199 | N | 26.6 | Very low | 32.3 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | 46.5 | 126.2 | 161.5 | -60.3 | -10.9 | 0 | 0 | 0 | 121.1 | | |
| 200 | Q | 36.8 | Very low | 32.4 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | | | | -149.6 | 156.2 | 117.5 | -118 | 148.3 | 106.5 | 0 | 0 | 112.3 | | |
| 201 | S | 28.2 | Very low | 32.5 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | -115.3 | -155 | -171.3 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 202 | I | 32.6 | Very low | 32.6 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | 85.4 | 124 | 178.2 | -55.9 | 159.6 | 0 | 0 | 0 | 112.5 | | |
| 203 | T | 34.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | cis | -155.5 | -177.5 | -9.9 | 19.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 204 | N | 33.6 | Very low | 32.8 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | cis | -150.5 | 144.5 | 8 | -116 | -17.2 | 0 | 0 | 0 | 106.3 | | |
| 205 | S | 31.2 | Very low | 32.7 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | | 85 | 90.1 | 63.5 | -58.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 206 | T | 36.2 | Very low | 33.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | -178.7 | 138.1 | 132.5 | 42.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 207 | K | 39.7 | Very low | 33.8 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | | | cis | -154.2 | 158.1 | -4.9 | -108.5 | -179.7 | -180 | -174.1 | 0 | 108.7 | | |
| 208 | N | 27.7 | Very low | 33.8 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -101.9 | 152.5 | 169.4 | -69.5 | -20.3 | 0 | 0 | 0 | 111 | | |
| 209 | E | 32.5 | Very low | 34 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | 166.1 | 142.7 | 144.9 | -96.3 | 164.7 | -178.7 | 0 | 0 | 108.5 | | |
| 210 | A | 34.2 | Very low | 34.5 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | | | cis | -149.1 | 173.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 211 | A | 34.1 | Very low | 34.3 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | | 24.6 | 143.2 | 129.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 212 | I | 36.9 | Very low | 34.6 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | cis | -165.2 | 145.8 | 28.7 | -132.6 | 156.5 | 0 | 0 | 0 | 112.7 | | |
| 213 | T | 34.6 | Very low | 34.4 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 64% | 0.644 | 78% | 0.782 | S | S | * | * | | | trans | 51.7 | 120.6 | 156.8 | 60.9 | 0 | 0 | 0 | 0 | 125.5 | | |
| 214 | N | 31.6 | Very low | 34.3 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | | 83.7 | 124.4 | 118.7 | -59.4 | -1 | 0 | 0 | 0 | 124.3 | | |
| 215 | S | 32.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -93.1 | -163.9 | 153.9 | -28.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 216 | P | 41.9 | Very low | 34.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | | -116.4 | -111.9 | -50.3 | 22.8 | -1.1 | 0 | 0 | 0 | 113.4 | | |
| 217 | P | 43.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | | -121.1 | 160.9 | -105.9 | 36.4 | -21.3 | 0 | 0 | 0 | 117.7 | | |
| 218 | G | 30.4 | Very low | 34 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | trans | 111.6 | -179 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 219 | A | 34.9 | Very low | 34.3 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 93% | 0.926 | 78% | 0.777 | S | S | * | * | | | trans | 72.6 | 156.3 | 172 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 220 | K | 37.3 | Very low | 34.6 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | trans | -101 | 150.6 | -165.5 | -64.1 | 165.8 | 177.5 | 168 | 0 | 112.4 | | |
| 221 | R | 31 | Very low | 34.7 | Very low | 245 Ų | 245 | 129.3 Ų | 129.3 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | | | trans | 59 | 128.7 | 152.9 | -66.5 | 175.2 | -175 | -165.6 | 1.2 | 118.8 | | |
| 222 | G | 34.7 | Very low | 34.8 | Very low | 61 Ų | 61 | 128.2 Ų | 128.2 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | | 141.9 | 111.3 | 114.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 223 | F | 30 | Very low | 34.8 | Very low | 187 Ų | 187 | 128.6 Ų | 128.6 | 82% | 0.82 | 76% | 0.76 | S | S | * | * | | | trans | 65.2 | 126.4 | 137.1 | -70.2 | -77.9 | 0 | 0 | 0 | 122.4 | | |
| 224 | L | 31.7 | Very low | 35 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | 70.7 | 159.5 | 139.7 | -62.2 | 168.9 | 0 | 0 | 0 | 117.6 | | |
| 225 | S | 29.1 | Very low | 35.4 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | cis | 179.6 | 162.9 | -23 | 54.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 226 | G | 32.3 | Very low | 35.8 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | | | cis | -129.5 | -115.2 | -17.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 227 | V | 36.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | cis | -164.6 | 157.6 | -11 | -131.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 228 | D | 35.5 | Very low | 34.9 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | trans | 62 | 166.9 | 151 | -55.9 | -22 | 0 | 0 | 0 | 118.4 | | |
| 229 | E | 34.4 | Very low | 35.3 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | cis | -162.4 | 165.1 | -24.3 | -111.5 | -157.8 | 135.8 | 0 | 0 | 106.4 | | |
| 230 | V | 38.3 | Very low | 35.4 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 60% | 0.6 | 75% | 0.751 | S | S | * | * | | | cis | -162.2 | 173.4 | -11 | 64 | 0 | 0 | 0 | 0 | 108.1 | | |
| 231 | D | 36.4 | Very low | 35.4 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | 64.9 | 157.7 | 171.4 | -74.9 | -34.9 | 0 | 0 | 0 | 117.5 | | |
| 232 | G | 36.8 | Very low | 36 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | | | cis | 162.3 | 157.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 233 | Q | 38.1 | Very low | 36 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | cis | -155.8 | 138.2 | 19.5 | -72.9 | -170.5 | 2.9 | 0 | 0 | 109 | | |
| 234 | I | 37.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | | | | 83 | 134.1 | 104.7 | -65.6 | 176.6 | 0 | 0 | 0 | 116.3 | | |
| 235 | K | 40 | Very low | 36.1 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | 73.1 | 149.8 | 165.7 | -72.9 | 166.2 | -174.2 | -179.5 | 0 | 118 | | |
| 236 | D | 40.6 | Very low | 36.1 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | cis | -144.3 | 170.2 | -4.3 | -117.1 | -30.8 | 0 | 0 | 0 | 113.4 | | |
| 237 | D | 38.1 | Very low | 36.1 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -30.5 | 141.3 | -175.8 | -69.7 | -40.2 | 0 | 0 | 0 | 120.1 | | |
| 238 | G | 29.5 | Very low | 35.8 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | | | trans | -115.1 | 131.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 239 | V | 38.4 | Very low | 35.7 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | | | trans | -138.7 | 133.6 | 167.7 | -178 | 0 | 0 | 0 | 0 | 105.2 | | |
| 240 | G | 37.8 | Very low | 35.5 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | cis | 134.5 | -175.2 | 26 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 241 | S | 37.6 | Very low | 35.4 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | cis | -175.1 | -176.7 | -9.6 | -144.2 | 0 | 0 | 0 | 0 | 104.6 | | |
| 242 | P | 43.4 | Very low | 35.3 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | cis | -112.9 | -169.6 | -18.4 | 15.6 | 11.1 | 0 | 0 | 0 | 109.5 | | |
| 243 | M | 33.3 | Very low | 35.1 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | cis | -150.3 | 132.9 | 21.4 | -151.3 | 162.9 | -156.7 | 0 | 0 | 112.3 | | |
| 244 | S | 32.2 | Very low | 35 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -163.1 | 134.3 | 168.2 | -83.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 245 | K | 33 | Very low | 34.9 | Very low | 217 Ų | 217 | 139.5 Ų | 139.5 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | | | trans | 174.1 | 158.9 | 150.5 | -96.3 | 150.4 | -170.8 | 178.6 | 0 | 110.5 | | |
| 246 | R | 28.6 | Very low | 34.9 | Very low | 230 Ų | 230 | 136.2 Ų | 136.2 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -142.2 | 159.7 | 166.8 | -165 | -168.7 | -74.5 | -166.3 | -1.7 | 106.5 | | |
| 247 | I | 32.1 | Very low | 34.6 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | 75.9 | 125.4 | 177.5 | -54.5 | 156.6 | 0 | 0 | 0 | 111.6 | | |
| 248 | C | 29.8 | Very low | 34.6 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | cis | -162 | 175.8 | -9.8 | -114.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 249 | K | 34 | Very low | 34.9 | Very low | 183 Ų | 183 | 137 Ų | 137 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | cis | -152.5 | -171 | 6 | -148 | -175.6 | 177.6 | -178 | 0 | 108.9 | | |
| 250 | N | 31.3 | Very low | 34.9 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | 69.7 | 146.8 | 175.7 | -69.4 | 8.6 | 0 | 0 | 0 | 114.2 | | |
| 251 | V | 36 | Very low | 34.7 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | cis | -151.6 | 160.4 | -7.9 | 112.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 252 | D | 34.2 | Very low | 34.4 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | 60.7 | 159.2 | 173.5 | -70.6 | -32.2 | 0 | 0 | 0 | 117.8 | | |
| 253 | N | 31.9 | Very low | 33.7 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | cis | 161.7 | 107.4 | -35.6 | -105.7 | -38 | 0 | 0 | 0 | 105.6 | | |
| 254 | T | 36.7 | Very low | 33.6 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | 179.1 | 124.2 | 146.6 | 25.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 255 | V | 35.3 | Very low | 33.5 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | | 65 | 121.8 | 91 | 174.2 | 0 | 0 | 0 | 0 | 111 | | |
| 256 | T | 39.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | | | cis | -153.2 | 144.3 | 18.5 | 12.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 257 | D | 35.1 | Very low | 33.6 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | | 58.5 | 146.1 | 91.4 | -62.4 | -52.3 | 0 | 0 | 0 | 116.2 | | |
| 258 | T | 36.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | cis | -160.2 | 166.4 | 4.6 | 4.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 259 | N | 37.3 | Very low | 34.2 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | | | trans | 67.7 | 148.6 | 148.4 | -67.6 | -28.4 | 0 | 0 | 0 | 119.9 | | |
| 260 | M | 36.4 | Very low | 34.2 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | cis | -148 | 170.8 | -3.9 | -123.8 | -61.4 | -176.2 | 0 | 0 | 111 | | |
| 261 | T | 34.6 | Very low | 34.9 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | | | trans | -112.7 | 146.8 | -170.6 | -46 | 0 | 0 | 0 | 0 | 112.3 | | |
| 262 | K | 31.4 | Very low | 34.7 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | | | trans | 56.2 | 123 | 159.2 | -86.4 | 169 | 179.8 | 177.1 | 0 | 116.5 | | |
| 263 | C | 29.2 | Very low | 34.6 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | | 173.3 | 167.4 | 61.5 | -117.1 | 0 | 0 | 0 | 0 | 112 | | |
| 264 | V | 30 | Very low | 34.5 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | 70.1 | 115.4 | 164.5 | -139.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 265 | S | 29.7 | Very low | 34.7 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | | | trans | 91.6 | 136.7 | 139.4 | -102.8 | 0 | 0 | 0 | 0 | 125 | | |
| 266 | F | 31.7 | Very low | 34.5 | Very low | 185 Ų | 185 | 138 Ų | 138 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | 69.1 | 104.9 | 152.1 | -59.8 | -55.3 | 0 | 0 | 0 | 123.3 | | |
| 267 | S | 33.8 | Very low | 34.2 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | | 71.5 | 104.6 | 122 | -54 | 0 | 0 | 0 | 0 | 121.9 | | |
| 268 | N | 37.7 | Very low | 34.1 | Very low | 168 Ų | 168 | 137 Ų | 137 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | | | | -164.3 | 141.7 | 111.3 | -98.3 | -33.2 | 0 | 0 | 0 | 110.1 | | |
| 269 | I | 36.1 | Very low | 33.8 | Very low | 162 Ų | 162 | 137 Ų | 137 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | trans | -134.2 | 152.9 | -160.2 | -72.4 | 179.5 | 0 | 0 | 0 | 113.4 | | |
| 270 | T | 34.8 | Very low | 33.7 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | -76.4 | 162 | -178.4 | 45.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 271 | P | 46 | Very low | 33.7 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -91.7 | 118 | -178.4 | 33.7 | -32.4 | 0 | 0 | 0 | 113.9 | | |
| 272 | F | 31 | Very low | 33.5 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | trans | -159.5 | 134.9 | 155 | -110.5 | -77.4 | 0 | 0 | 0 | 111.5 | | |
| 273 | C | 31.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 29.6 | 137.1 | 164.6 | -64.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 274 | L | 30 | Very low | 33.8 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | | | trans | -75 | 156.9 | 170.1 | -61.1 | 158.2 | 0 | 0 | 0 | 112.1 | | |
| 275 | P | 42.2 | Very low | 33.9 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | | -157.3 | 155.2 | 86.2 | 39.6 | -19.7 | 0 | 0 | 0 | 119.3 | | |
| 276 | I | 30.9 | Very low | 33.8 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | 57.8 | 139.3 | 145.2 | -59.8 | 164.1 | 0 | 0 | 0 | 119.3 | | |
| 277 | G | 31.9 | Very low | 34.1 | Very low | 58 Ų | 58 | 133.8 Ų | 133.8 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | | | cis | 162.2 | 179.3 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 278 | N | 33.1 | Very low | 33.9 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | 79.3 | 131.8 | 177.7 | -51.5 | -25.3 | 0 | 0 | 0 | 116.9 | | |
| 279 | S | 30.7 | Very low | 33.2 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | cis | 117.3 | 131.1 | 7.4 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 280 | P | 36 | Very low | 32.8 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | | -146.5 | 162 | 110.1 | 40.1 | -26.4 | 0 | 0 | 0 | 116 | | |
| 281 | A | 34.7 | Very low | 32.3 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 67.5 | 144 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 282 | D | 31.8 | Very low | 31.7 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -149 | 151.4 | -8.9 | -138.8 | -16.7 | 0 | 0 | 0 | 114.9 | | |
| 283 | N | 32 | Very low | 31.6 | Very low | 118 Ų | 118 | 130 Ų | 130 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | | | trans | 19.5 | 139.3 | 150.8 | -92.6 | -75.9 | 0 | 0 | 0 | 124 | | |
| 284 | K | 34.2 | Very low | 32 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | 76.7 | 166.6 | 142 | -68.7 | 171.4 | -175.2 | 174.3 | 0 | 119.7 | | |
| 285 | Q | 33.3 | Very low | 32 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | cis | -172.8 | 152.2 | -36.2 | -169.6 | 165.6 | 6.4 | 0 | 0 | 108.2 | | |
| 286 | V | 26 | Very low | 31.5 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | | | trans | -84.1 | 155.2 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 287 | P | 38.6 | Very low | 31.6 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | | | cis | -128.2 | -128.6 | -18.8 | 39.3 | -18.4 | 0 | 0 | 0 | 111.1 | | |
| 288 | L | 28.8 | Very low | 31.7 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | 82 | 102.1 | 164.6 | -137.3 | 71.2 | 0 | 0 | 0 | 114.5 | | |
| 289 | V | 24 | Very low | 31.6 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | | 58 | 105.5 | 66.2 | -175.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 290 | T | 27.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -166.1 | 135.7 | 137.3 | -83.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 291 | F | 24.8 | Very low | 31.3 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | | | trans | -41 | 150.3 | 173.7 | -53.4 | -95.4 | 0 | 0 | 0 | 117.7 | | |
| 292 | S | 33 | Very low | 31 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | | | | -159.2 | 115.8 | 122.9 | -81.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 293 | S | 28.7 | Very low | 30.9 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | -102 | 154 | 172.4 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 294 | P | 40.1 | Very low | 30.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | | | | -138.9 | 165.7 | 112.9 | 37.2 | -25 | 0 | 0 | 0 | 112 | | |
| 295 | N | 31.2 | Very low | 30.9 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | | | cis | -147.8 | 159.9 | 4.7 | -133.7 | 0.3 | 0 | 0 | 0 | 112.8 | | |
| 296 | V | 31 | Very low | 30.6 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | | | trans | -49.9 | 164.4 | 169 | -73.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 297 | N | 33.5 | Very low | 31.3 | Very low | 151 Ų | 151 | 123.2 Ų | 123.2 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | | | cis | -138 | 161 | 10.6 | -76.7 | -67.9 | 0 | 0 | 0 | 108.8 | | |
| 298 | G | 32.9 | Very low | 30.9 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | cis | 107.9 | 149.4 | 47.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 299 | L | 31.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | cis | -163.8 | 156.5 | -1.7 | -94.8 | 171 | 0 | 0 | 0 | 109.9 | | |
| 300 | N | 30.9 | Very low | 31 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | 66.7 | 157.3 | 158 | -58.6 | -20.4 | 0 | 0 | 0 | 119.6 | | |
| 301 | S | 30.2 | Very low | 31.2 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | cis | -173.1 | 157 | -25 | 56 | 0 | 0 | 0 | 0 | 111.7 | | |
| 302 | L | 28.2 | Very low | 31.4 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | trans | 67.6 | 154 | 164.7 | -58.2 | 150.7 | 0 | 0 | 0 | 116.5 | | |
| 303 | S | 28.6 | Very low | 31.6 | Very low | 82 Ų | 82 | 124.7 Ų | 124.7 | 57% | 0.573 | 72% | 0.724 | S | S | * | * | | | cis | -165.2 | 140.8 | -8 | -108.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 304 | I | 29.6 | Very low | 32 | Very low | 148 Ų | 148 | 122 Ų | 122 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | | | | 45.2 | 137.9 | 118 | -50.8 | 171.4 | 0 | 0 | 0 | 119.5 | | |
| 305 | P | 37.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | | | cis | -151.5 | -167.1 | -31.7 | 45.3 | -23.8 | 0 | 0 | 0 | 116.9 | | |
| 306 | S | 26.7 | Very low | 31.7 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | | | trans | 88.3 | 149.4 | 138.4 | -71.1 | 0 | 0 | 0 | 0 | 125.6 | | |
| 307 | P | 41 | Very low | 31.8 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | | | trans | -150 | -157.2 | -143 | 35.9 | -7.7 | 0 | 0 | 0 | 118.6 | | |
| 308 | F | 29.2 | Very low | 31.7 | Very low | 183 Ų | 183 | 122.4 Ų | 122.4 | 80% | 0.803 | 71% | 0.71 | S | S | * | * | | | trans | 82.3 | 143.9 | 170.3 | -62.8 | -84.7 | 0 | 0 | 0 | 119 | | |
| 309 | F | 27.8 | Very low | 32 | Very low | 210 Ų | 210 | 124.4 Ų | 124.4 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | | | cis | 103.8 | 126.9 | 18 | -109.1 | -83.2 | 0 | 0 | 0 | 115.7 | | |
| 310 | G | 28.5 | Very low | 32 | Very low | 73 Ų | 73 | 125.6 Ų | 125.6 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | | | trans | 161.5 | 154.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 311 | Q | 31.4 | Very low | 32.1 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | | | trans | -139.6 | -170.2 | -175.7 | -57.2 | -173.1 | -10.5 | 0 | 0 | 110.9 | | |
| 312 | L | 28.8 | Very low | 32.4 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 41% | 0.408 | 72% | 0.72 | S | S | . | * | | | cis | -157.8 | -172.4 | 13.8 | -140.4 | 175.8 | 0 | 0 | 0 | 109.1 | T1115 G1116 L1117 | L312-T1115 CarbonylContact O-C 3.55Å; L312-T1115 VanDerWaalsContact O-CA 3.3Å; L312-T1115 WeakPolarHBondContact O-CA 3.26Å; L312-T1115 VanDerWaalsContact O-CB 3.31Å; L312-T1115 WeakPolarHBondContact O-CB 3.29Å; L312-G1116 WeakPolarHBondContact O-CA 3.43Å; L312-G1116 PolarHBondContact O-N 3.26Å; L312-L1117 HydrophobicContact CB-CB 4.12Å; L312-L1117 HydrophobicContact CB-CD1 3.98Å; L312-L1117 HydrophobicContact CD1-CD1 4.12Å; L312-L1117 HydrophobicContact CD2-CD1 4.41Å; L312-L1117 HydrophobicContact CG-CD1 4.39Å; L312-L1117 PolarHBondContact O-N 3.19Å |
| 313 | I | 36.3 | Very low | 32.6 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 52% | 0.518 | 71% | 0.713 | S | S | . | * | | | trans | -62.4 | 172.3 | -170 | -63.4 | 154.4 | 0 | 0 | 0 | 116 | T1115 G1116 L1117 | I313-T1115 HydrophobicContact CG1-CG2 4.23Å; I313-G1116 CarbonylContact O-C 2.86Å; I313-G1116 VanDerWaalsContact O-C 3.28Å; I313-G1116 PolarHBondContact O-N 3.35Å; I313-L1117 WeakPolarHBondContact O-CB 3.47Å; I313-L1117 WeakPolarHBondContact O-CG 3.35Å; I313-L1117 PolarHBondContact O-N 3.01Å; I313-L1117 VanDerWaalsContact O-N 3.1Å |
| 314 | P | 37.5 | Very low | 32.6 | Very low | 53 Ų | 53 | 128.5 Ų | 128.5 | 34% | 0.344 | 73% | 0.727 | S | S | . | * | | | trans | -150.5 | -165.9 | 130.9 | 44.8 | -22.5 | 0 | 0 | 0 | 114.1 | R1114 T1115 | P314-R1114 WeakPolarHBondContact CD-O 3.42Å; P314-T1115 VanDerWaalsContact CD-CA 3.47Å |
| 315 | L | 31 | Very low | 32.6 | Very low | 173 Ų | 173 | 124.8 Ų | 124.8 | 91% | 0.906 | 73% | 0.726 | S | S | * | * | | | trans | -116.9 | -175.4 | 158.6 | -71.2 | 167.7 | 0 | 0 | 0 | 109.6 | | |
| 316 | S | 33 | Very low | 32.4 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | trans | -87.5 | 148.6 | -166.3 | 53.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 317 | S | 33.9 | Very low | 32.5 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | | | trans | 54 | 144.6 | 137.5 | 63.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 318 | L | 32 | Very low | 31.9 | Very low | 156 Ų | 156 | 129 Ų | 129 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | | | cis | -166.5 | -168.6 | -10.3 | -127.8 | 96 | 0 | 0 | 0 | 104.5 | | |
| 319 | P | 39.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | | | cis | -122.9 | -166.1 | -8.5 | 43.3 | -27.7 | 0 | 0 | 0 | 113.3 | | |
| 320 | E | 30.5 | Very low | 32.5 | Very low | 175 Ų | 175 | 122 Ų | 122 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | | | trans | -113.9 | -175.7 | -172.6 | -65.4 | 177.2 | 104.2 | 0 | 0 | 114.8 | | |
| 321 | N | 33.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | | | trans | 97.9 | 111.8 | 165.2 | -62.3 | -37.3 | 0 | 0 | 0 | 119.3 | | |
| 322 | V | 35.3 | Very low | 32.6 | Very low | 145 Ų | 145 | 125 Ų | 125 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | | | | -154.4 | 139.3 | 103.5 | 150.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 323 | I | 32.4 | Very low | 32.6 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | | | trans | -104.5 | 169.4 | -176.4 | -50.8 | 171 | 0 | 0 | 0 | 109.8 | | |
| 324 | C | 30.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 86% | 0.858 | 75% | 0.754 | S | S | * | * | | | trans | 114.5 | 131.9 | 147.9 | -63.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 325 | G | 29.9 | Very low | 32.5 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | trans | 134.7 | 69.9 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 326 | L | 32.9 | Very low | 32.3 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | | | | -172.9 | 152.4 | 112.7 | -96.7 | 165 | 0 | 0 | 0 | 110.4 | | |
| 327 | S | 28.8 | Very low | 32 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | -137.3 | 176.8 | -171.6 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 328 | T | 28.5 | Very low | 31.8 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 68.1 | 154.5 | 162 | 43.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 329 | T | 33.2 | Very low | 31.5 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | cis | -159.2 | 176.1 | 18.1 | -17 | 0 | 0 | 0 | 0 | 111.5 | | |
| 330 | I | 35.1 | Very low | 31.1 | Very low | 137 Ų | 137 | 132 Ų | 132 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | | | trans | 74.5 | 132.5 | 150.5 | -71.6 | 158.5 | 0 | 0 | 0 | 116.3 | | |
| 331 | M | 32.3 | Very low | 31 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | | | cis | -154 | 166.7 | -7 | -119.3 | 173.8 | -171.6 | 0 | 0 | 112.5 | | |
| 332 | N | 31.1 | Very low | 30.8 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -88.3 | 150.6 | 173.9 | -51.7 | -37 | 0 | 0 | 0 | 111.9 | | |
| 333 | N | 28.6 | Very low | 30.7 | Very low | 157 Ų | 157 | 127 Ų | 127 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | | -176 | 165.3 | 101.7 | -112 | 4 | 0 | 0 | 0 | 114 | | |
| 334 | P | 40.9 | Very low | 30.6 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -111.6 | -157.2 | -172.3 | 43.8 | -35.4 | 0 | 0 | 0 | 114.1 | | |
| 335 | Q | 30.2 | Very low | 30.8 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | 96.6 | 106.6 | 178.5 | -63.4 | -169.8 | -28.7 | 0 | 0 | 114.3 | | |
| 336 | T | 27 | Very low | 30.8 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | | 61.8 | 128.4 | 76.4 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 337 | S | 25.6 | Very low | 30.8 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | cis | -174.3 | -167.8 | 41.9 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 338 | T | 30.5 | Very low | 30.9 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | | | trans | 70.6 | 152.2 | 165.9 | 66.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 339 | M | 26.2 | Very low | 31.2 | Very low | 164 Ų | 164 | 127 Ų | 127 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | cis | -164.5 | 166.8 | -36.6 | -151 | 166.1 | 76.8 | 0 | 0 | 109.4 | | |
| 340 | S | 30 | Very low | 31.2 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 51% | 0.51 | 73% | 0.732 | S | S | . | * | | | trans | 70.1 | 127.7 | 151.2 | -67.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 341 | N | 27.6 | Very low | 31.2 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | | | | 61.6 | 147.5 | 123.1 | -54 | -3.2 | 0 | 0 | 0 | 119.7 | | |
| 342 | T | 30.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 122.2 Ų | 122.2 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | | | cis | -167.1 | 165.6 | 1.1 | 9.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 343 | G | 33.1 | Very low | 31.5 | Very low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | | | trans | 131.3 | 73.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 344 | D | 31.2 | Very low | 31.8 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | | 48.5 | 147.4 | 121.5 | -47.3 | -29 | 0 | 0 | 0 | 125.3 | | |
| 345 | N | 33.6 | Very low | 31.5 | Very low | 131 Ų | 131 | 123 Ų | 123 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | trans | 74.8 | 128.6 | 154.3 | -67.9 | -40.9 | 0 | 0 | 0 | 119.2 | | |
| 346 | S | 29 | Very low | 31.4 | Very low | 83 Ų | 83 | 122.4 Ų | 122.4 | 58% | 0.58 | 73% | 0.728 | S | S | * | * | | | cis | 91.1 | 147.9 | 46.3 | 86.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 347 | I | 32.9 | Very low | 31.6 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | cis | -161.4 | 156.9 | 11 | -138.6 | 166.3 | 0 | 0 | 0 | 113 | | |
| 348 | T | 32.2 | Very low | 31.8 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | | | trans | 62 | 135.5 | 156.9 | 55 | 0 | 0 | 0 | 0 | 127.9 | | |
| 349 | T | 33.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | trans | 63.4 | 150.8 | 137.9 | 53.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 350 | S | 32.9 | Very low | 31.9 | Very low | 95 Ų | 95 | 122.1 Ų | 122.1 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | | | cis | -170.4 | 158.9 | -20.4 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 351 | T | 35.8 | Very low | 32 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | | | trans | 52.1 | 135.1 | 147.8 | 51.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 352 | G | 33.5 | Very low | 32.2 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | | | trans | 155.8 | 75.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 353 | H | 35.9 | Very low | 32 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | | | trans | 27.2 | 122.7 | 139.3 | -90.4 | -105.5 | 0 | 0 | 0 | 126.6 | | |
| 354 | H | 35.3 | Very low | 32.1 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | | | | 89.2 | 126.6 | 116 | -96.1 | -121.6 | 0 | 0 | 0 | 128.6 | | |
| 355 | T | 34 | Very low | 32 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | | | trans | 78.2 | 133.5 | 136.6 | 32.4 | 0 | 0 | 0 | 0 | 128.5 | | |
| 356 | E | 29.8 | Very low | 31.8 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | | | trans | 103 | 128.7 | 131.3 | -83.9 | -164.3 | 130.7 | 0 | 0 | 127.8 | | |
| 357 | L | 30 | Very low | 31.7 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | | | trans | 68.3 | 125.3 | 139.9 | -62 | 173 | 0 | 0 | 0 | 127.4 | | |
| 358 | Q | 30.7 | Very low | 31.5 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | | | trans | 64.3 | 157.1 | 131.3 | -68.9 | -178.5 | -0.7 | 0 | 0 | 121.6 | | |
| 359 | T | 30.3 | Very low | 31.3 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | | | cis | -156.8 | 147.5 | 1.7 | 7.7 | 0 | 0 | 0 | 0 | 114 | | |
| 360 | T | 27.8 | Very low | 31.2 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | | | trans | 30.7 | 128.7 | 147.6 | 61.8 | 0 | 0 | 0 | 0 | 124.4 | | |
| 361 | Q | 32.3 | Very low | 31 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | | | | 159.2 | 121 | 103.9 | -86.2 | -156.9 | -4.7 | 0 | 0 | 114.4 | | |
| 362 | N | 31.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | | 163.5 | 152.1 | 112.3 | -92.1 | -55.5 | 0 | 0 | 0 | 115.4 | | |
| 363 | H | 26.6 | Very low | 31.2 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 83% | 0.833 | 73% | 0.726 | S | S | * | * | | | trans | -104.8 | -175.7 | 176.5 | -70.7 | -83.9 | 0 | 0 | 0 | 108.9 | | |
| 364 | P | 36.2 | Very low | 31.1 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | | | cis | -150.1 | 174.3 | 20 | 46.3 | -25.5 | 0 | 0 | 0 | 120 | | |
| 365 | S | 28.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | | | trans | 21.8 | 139.3 | 132.7 | -50.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 366 | A | 28.6 | Very low | 30.6 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | | | cis | 169.6 | 151.1 | 12.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 367 | W | 27.5 | Very low | 30.7 | Very low | 235 Ų | 235 | 123.5 Ų | 123.5 | 89% | 0.89 | 70% | 0.704 | S | S | * | * | | | trans | 76.3 | 129 | 135.1 | -75.6 | 41 | 0 | 0 | 0 | 122.4 | | |
| 368 | V | 28.4 | Very low | 30.8 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | | | trans | 79.9 | 127 | 135.5 | 166.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 369 | L | 28.9 | Very low | 30.8 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | | | cis | -158.7 | 169.1 | -6.8 | -114.8 | 177 | 0 | 0 | 0 | 110.9 | | |
| 370 | T | 30.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | | | trans | 56.4 | 113.6 | 157.1 | 47.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 371 | N | 29.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | | | | 74.2 | 148.3 | 76.6 | -80.4 | -16 | 0 | 0 | 0 | 115.1 | | |
| 372 | P | 42.6 | Very low | 30.6 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 62% | 0.623 | 69% | 0.694 | S | S | * | * | | | cis | -138.4 | -170.6 | -19.7 | 36 | -16 | 0 | 0 | 0 | 114 | | |
| 373 | S | 31.5 | Very low | 30.6 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | | | trans | 107.9 | 108.9 | 150.9 | -42.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 374 | G | 33.1 | Very low | 30.8 | Very low | 71 Ų | 71 | 117.7 Ų | 117.7 | 73% | 0.732 | 69% | 0.694 | S | S | * | * | | | | 97.7 | 60.9 | 104.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 375 | N | 27.9 | Very low | 30.6 | Very low | 93 Ų | 93 | 120 Ų | 120 | 50% | 0.497 | 70% | 0.695 | S | S | . | * | | | trans | -150.9 | 141.2 | 132.5 | -86.5 | -47.1 | 0 | 0 | 0 | 105.1 | | |
| 376 | L | 31.5 | Very low | 30.5 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 56% | 0.555 | 69% | 0.693 | S | S | * | * | S | Bend | cis | -119.1 | 161.7 | 29.5 | -85.3 | 163.9 | 0 | 0 | 0 | 115.7 | D1112 | L376-D1112 HydrophobicContact CD1-CB 3.81Å; L376-D1112 WeakPolarHBondContact CD1-OD1 3.48Å; L376-D1112 HydrophobicContact CD2-CB 4.41Å; L376-D1112 VanDerWaalsContact CD2-CG 3.44Å; L376-D1112 WeakPolarHBondContact CD2-OD2 3.39Å; L376-D1112 HydrophobicContact CG-CB 3.72Å; L376-D1112 WeakPolarHBondContact CG-OD2 3.36Å |
| 377 | S | 31.3 | Very low | 30.7 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | | | trans | 73.8 | 124.2 | 155 | -56.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 378 | C | 31.2 | Very low | 30.9 | Very low | 80 Ų | 80 | 117 Ų | 117 | 54% | 0.541 | 69% | 0.693 | S | S | . | * | | | cis | 57 | 94.9 | 4.9 | -22.9 | 0 | 0 | 0 | 0 | 114 | | |
| 379 | N | 31.5 | Very low | 31.1 | Very low | 151 Ų | 151 | 120 Ų | 120 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | S | Bend | cis | 48 | 104.4 | 32.6 | -150.6 | -16.8 | 0 | 0 | 0 | 112.8 | | |
| 380 | L | 28.9 | Very low | 31.1 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | | | trans | 59.6 | 60.4 | -177 | -96 | 62.3 | 0 | 0 | 0 | 117.1 | | |
| 381 | T | 29.3 | Very low | 31.5 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | | | | -125.9 | 129.3 | 124 | 47.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 382 | Q | 27.8 | Very low | 31.6 | Very low | 133 Ų | 133 | 119 Ų | 119 | 62% | 0.621 | 70% | 0.7 | S | S | * | * | | | cis | 53.9 | 113.8 | 7 | -80 | -155 | 68.9 | 0 | 0 | 114.5 | | |
| 383 | Q | 30.8 | Very low | 30.9 | Very low | 164 Ų | 164 | 121.1 Ų | 121.1 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | | | cis | -150.2 | 160.9 | 16.3 | -90.8 | 161.7 | -51.1 | 0 | 0 | 110.8 | | |
| 384 | A | 30.8 | Very low | 30.9 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | | | trans | 62.6 | 164.7 | 146 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 385 | E | 31.8 | Very low | 30.7 | Very low | 158 Ų | 158 | 126 Ų | 126 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | | | cis | -147.9 | 161.2 | 2 | -143.7 | 173.2 | -168.7 | 0 | 0 | 106.5 | | |
| 386 | L | 28.3 | Very low | 31.3 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | S | Bend | cis | -130.3 | 156.5 | 4.3 | -38.8 | 104 | 0 | 0 | 0 | 107 | | |
| 387 | T | 31.4 | Very low | 31 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | S | Bend | cis | -150.3 | 159.5 | 31.1 | 42.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 388 | A | 32.6 | Very low | 31.3 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | | | cis | -158.8 | 157.3 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 389 | L | 31.8 | Very low | 31.5 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 91% | 0.911 | 72% | 0.716 | S | S | * | * | | | trans | 73.9 | 157.4 | 155.5 | -69.4 | 166.7 | 0 | 0 | 0 | 120.6 | | |
| 390 | Q | 30.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | | | trans | -114.6 | -159.2 | -167.7 | -54.3 | 176.3 | -18 | 0 | 0 | 109.5 | | |
| 391 | P | 37 | Very low | 31.7 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | | | | -122.2 | -172.1 | -65.8 | 29.7 | -11.4 | 0 | 0 | 0 | 111 | | |
| 392 | T | 33 | Very low | 31.5 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | | | | 160.4 | 158.4 | 115.9 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 393 | L | 26.9 | Very low | 31.8 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | | | trans | -61.6 | 149.8 | 179.7 | -67.9 | 64.2 | 0 | 0 | 0 | 113 | | |
| 394 | F | 31.5 | Very low | 31.6 | Very low | 144 Ų | 144 | 117.3 Ų | 117.3 | 63% | 0.632 | 70% | 0.697 | S | S | * | * | | | | -170.2 | 149.3 | 102.3 | -108.7 | -76.8 | 0 | 0 | 0 | 112.3 | D1361 | F394-D1361 HydrophobicContact CE2-CB 4.35Å; F394-D1361 HydrophobicContact CZ-CB 4.42Å |
| 395 | V | 29.3 | Very low | 32 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | | | trans | -158 | 141.4 | -174.8 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 396 | P | 39.7 | Very low | 32.1 | Very low | 110 Ų | 110 | 117.6 Ų | 117.6 | 71% | 0.714 | 70% | 0.699 | S | S | * | * | | | cis | -122.5 | -130.2 | -32.7 | 35.8 | -15 | 0 | 0 | 0 | 110.1 | | |
| 397 | V | 25.9 | Very low | 32.4 | Very low | 125 Ų | 125 | 115 Ų | 115 | 76% | 0.758 | 69% | 0.691 | S | S | * | * | | | trans | 81.5 | 135.8 | 164.6 | 173.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 398 | P | 37.5 | Very low | 32.2 | Very low | 73 Ų | 73 | 112.3 Ų | 112.3 | 47% | 0.474 | 68% | 0.675 | S | S | . | * | | | cis | -141.7 | -136.6 | -29.4 | 43 | -21.4 | 0 | 0 | 0 | 113.1 | I819 | P398-I819 HydrophobicContact CB-CD1 4.09Å; P398-I819 HydrophobicContact CG-CD1 3.62Å; P398-I819 HydrophobicContact CG-CG1 3.75Å; P398-I819 HydrophobicContact CG-CG2 4.26Å |
| 399 | T | 35.3 | Very low | 32 | Very low | 87 Ų | 87 | 113.5 Ų | 113.5 | 53% | 0.534 | 67% | 0.669 | S | S | . | * | | | trans | 74.5 | 105.2 | -175.2 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | I819 L821 | T399-I819 HydrophobicContact CG2-CG2 4.13Å; T399-L821 HydrophobicContact CG2-CD1 4.28Å |
| 400 | L | 28.9 | Very low | 32.1 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 60% | 0.602 | 67% | 0.668 | S | S | * | * | | | cis | 71.8 | 115.3 | 23.4 | -130.9 | 171.9 | 0 | 0 | 0 | 112.4 | D402 I819 L821 | L400-D402 WeakPolarHBondContact CD2-OD2 3.37Å; L400-I819 HydrophobicContact CB-CG2 4.45Å; L400-I819 HydrophobicContact CD1-CG2 4.41Å; L400-L821 WeakPolarHBondContact O-CD1 3.47Å |
| 401 | G | 36.3 | Very low | 32.3 | Very low | 50 Ų | 50 | 112.1 Ų | 112.1 | 52% | 0.515 | 66% | 0.661 | S | S | . | * | | | trans | 173.2 | 58.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 402 | D | 25.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 65% | 0.647 | 67% | 0.665 | S | S | * | * | | | trans | -79.2 | 174.6 | -175.3 | -65.3 | -82.2 | 0 | 0 | 0 | 114.9 | L400 | L400-D402 WeakPolarHBondContact CD2-OD2 3.37Š|
| 403 | S | 33.7 | Very low | 32.2 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 67% | 0.671 | 67% | 0.668 | S | S | * | * | | | trans | 123.6 | 141.9 | 152.7 | -54.9 | 0 | 0 | 0 | 0 | 115 | | |
| 404 | S | 27.1 | Very low | 32.2 | Very low | 104 Ų | 104 | 113.3 Ų | 113.3 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | | | cis | 172.6 | 103.4 | -44.8 | 47.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 405 | V | 37.8 | Very low | 32.2 | Very low | 136 Ų | 136 | 114.1 Ų | 114.1 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | | | trans | -154.7 | 137 | -174.2 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 406 | T | 35.4 | Very low | 31.9 | Very low | 125 Ų | 125 | 114.5 Ų | 114.5 | 77% | 0.767 | 68% | 0.675 | S | S | * | * | | | cis | -155.2 | 154.2 | -27.4 | 30.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 407 | P | 34.4 | Very low | 31.5 | Very low | 89 Ų | 89 | 115.2 Ų | 115.2 | 58% | 0.578 | 68% | 0.678 | S | S | * | * | | | trans | -107.9 | 161 | -165.3 | 22.1 | -3.5 | 0 | 0 | 0 | 117 | | |
| 408 | T | 27.6 | Very low | 31.5 | Very low | 80 Ų | 80 | 113.9 Ų | 113.9 | 49% | 0.491 | 67% | 0.674 | S | S | . | * | | | trans | 97.3 | 133.4 | 152 | -16.5 | 0 | 0 | 0 | 0 | 122.5 | P455 | T408-P455 HydrophobicContact CG2-CB 3.58Å; T408-P455 HydrophobicContact CG2-CG 3.4Å; T408-P455 VanDerWaalsContact CG2-CG 3.4Å; T408-P455 WeakPolarHBondContact CG2-O 3.49Å |
| 409 | L | 26.7 | Very low | 31.2 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | | | trans | 68.1 | 99 | 141.5 | -105.5 | 166.5 | 0 | 0 | 0 | 122.5 | S457 | L409-S457 VanDerWaalsContact CD2-OG 3.27Å; L409-S457 WeakPolarHBondContact CD2-OG 3.42Å |
| 410 | K | 34.2 | Very low | 31.2 | Very low | 203 Ų | 203 | 118.7 Ų | 118.7 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | | | | -163.8 | 152.7 | 115.9 | -121 | 167.3 | -178.2 | 168.9 | 0 | 113.1 | | |
| 411 | V | 34.2 | Very low | 31.1 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | | | trans | -144.1 | 130.6 | -176.5 | 168.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 412 | P | 33.4 | Very low | 31.1 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | | | | -141 | 175.1 | 96.9 | 41.3 | -25.7 | 0 | 0 | 0 | 112.2 | | |
| 413 | Q | 34.4 | Very low | 31.2 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | cis | -138.2 | 135.2 | 18.1 | -67.3 | 169.6 | -50.2 | 0 | 0 | 109.2 | | |
| 414 | S | 28.1 | Very low | 31 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | | 25.4 | 129.3 | 104.5 | 63.6 | 0 | 0 | 0 | 0 | 116 | | |
| 415 | L | 31.1 | Very low | 31.3 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | | | | -162.2 | 152.5 | 63.8 | -169.5 | 70 | 0 | 0 | 0 | 113.3 | | |
| 416 | D | 23.3 | Very low | 30.8 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | -70.4 | 160.9 | 169.8 | -53.9 | -92.2 | 0 | 0 | 0 | 114.1 | | |
| 417 | T | 30.9 | Very low | 30.5 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | | 171.6 | 114.9 | 112.4 | 32.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 418 | S | 26.3 | Very low | 30.4 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | 70.6 | 145.8 | 130.3 | 79.4 | 0 | 0 | 0 | 0 | 124 | | |
| 419 | T | 30.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | 70.4 | 142.8 | 163.2 | 76.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 420 | T | 35 | Very low | 30.7 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | cis | -134.8 | 162 | 8.7 | 45.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 421 | N | 26.8 | Very low | 30.8 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | trans | -81.6 | 159 | 163.1 | -78.1 | -35.5 | 0 | 0 | 0 | 110.9 | | |
| 422 | P | 36.3 | Very low | 30.5 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | | | | -135.4 | 174 | 102.4 | 38.6 | -28.9 | 0 | 0 | 0 | 114.6 | | |
| 423 | L | 27.1 | Very low | 30.5 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | | | trans | -113.7 | 163.4 | -165.4 | -168 | 70.7 | 0 | 0 | 0 | 112.6 | | |
| 424 | A | 30.8 | Very low | 30.5 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | trans | 103 | 152.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 425 | N | 31.9 | Very low | 30.9 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | | | trans | 71.6 | 132.2 | 173.1 | -68 | -24.4 | 0 | 0 | 0 | 119.5 | | |
| 426 | C | 27.4 | Very low | 31.2 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | cis | -166.8 | 154.2 | -24.5 | -129 | 0 | 0 | 0 | 0 | 111.8 | | |
| 427 | A | 30.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | | | trans | 52.4 | 133.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 428 | G | 32.5 | Very low | 31.9 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | | | trans | -173.8 | -14.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 429 | I | 30.7 | Very low | 32.3 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | | | trans | 39.3 | 95.7 | 167.3 | -45.2 | 177.6 | 0 | 0 | 0 | 117.2 | | |
| 430 | L | 30.2 | Very low | 32.4 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | | | trans | -127.8 | 133.6 | 138.4 | -78.4 | 177 | 0 | 0 | 0 | 108.1 | L1009 | L430-L1009 HydrophobicContact CD1-CD1 3.71Å; L430-L1009 HydrophobicContact CD1-CG 4.5Å |
| 431 | R | 35.6 | Very low | 32.2 | Very low | 225 Ų | 225 | 128.8 Ų | 128.8 | 85% | 0.849 | 72% | 0.724 | S | S | * | * | | | trans | -94.3 | 127.5 | -177.5 | -70.1 | -158.1 | -77.8 | -173.6 | -4.6 | 110.7 | | |
| 432 | Y | 28 | Very low | 32.4 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 60% | 0.6 | 72% | 0.722 | S | S | * | * | | | trans | -55.3 | 134.3 | 153.4 | -88.4 | -123.3 | 0 | 0 | 0 | 107.9 | I435 I436 | Y432-I435 HydrophobicContact CD1-CB 4.12Å; Y432-I435 HydrophobicContact CD2-CD1 4.42Å; Y432-I435 HydrophobicContact CE1-CB 3.67Å; Y432-I435 HydrophobicContact CE1-CD1 4.41Å; Y432-I435 HydrophobicContact CE1-CG2 3.74Å; Y432-I435 HydrophobicContact CE2-CD1 3.85Å; Y432-I436 HydrophobicContact CD1-CD1 4.23Å; Y432-I436 HydrophobicContact CD1-CG1 4.26Å; Y432-I436 HydrophobicContact CE1-CG1 4.33Å |
| 433 | P | 33.1 | Very low | 32 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 58% | 0.578 | 72% | 0.719 | S | S | * | * | S | Bend | | -131.5 | -10.9 | 87.2 | 36.2 | -25.9 | 0 | 0 | 0 | 116.1 | I435 I436 | P433-I435 VanDerWaalsContact C-N 3.26Å; P433-I435 PolarHBondContact O-N 2.96Å; P433-I435 VanDerWaalsContact O-N 3.12Å; P433-I436 PolarHBondContact O-N 2.87Å |
| 434 | D | 33.8 | Very low | 32.1 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -12 | -164.8 | -55.6 | -29.2 | 0 | 0 | 0 | 115.5 | I436 | D434-I436 VanDerWaalsContact C-N 3.34Š|
| 435 | I | 37 | Very low | 32.2 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 46% | 0.462 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -13.4 | -177.6 | -68 | 171.3 | 0 | 0 | 0 | 112.5 | Y432 P433 | Y432-I435 HydrophobicContact CD1-CB 4.12Å; Y432-I435 HydrophobicContact CD2-CD1 4.42Å; Y432-I435 HydrophobicContact CE1-CB 3.67Å; Y432-I435 HydrophobicContact CE1-CD1 4.41Å; Y432-I435 HydrophobicContact CE1-CG2 3.74Å; Y432-I435 HydrophobicContact CE2-CD1 3.85Å; P433-I435 VanDerWaalsContact C-N 3.26Å; P433-I435 PolarHBondContact O-N 2.96Å; P433-I435 VanDerWaalsContact O-N 3.12Å |
| 436 | I | 38.3 | Very low | 32 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 60% | 0.6 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -22.4 | -177.1 | -67.3 | 178.9 | 0 | 0 | 0 | 113.2 | Y432 P433 D434 | Y432-I436 HydrophobicContact CD1-CD1 4.23Å; Y432-I436 HydrophobicContact CD1-CG1 4.26Å; Y432-I436 HydrophobicContact CE1-CG1 4.33Å; P433-I436 PolarHBondContact O-N 2.87Å; D434-I436 VanDerWaalsContact C-N 3.34Å |
| 437 | E | 36.2 | Very low | 32.1 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -32.2 | 169.4 | -69.6 | -162.5 | 127.7 | 0 | 0 | 112.8 | L439 K440 | E437-L439 PolarHBondContact O-N 3.39Å; E437-L439 VanDerWaalsContact O-N 3.14Å; E437-K440 PolarHBondContact O-N 2.84Å |
| 438 | A | 32 | Very low | 32 | Very low | 77 Ų | 77 | 124 Ų | 124 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -23.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 439 | L | 35.2 | Very low | 31.8 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -3 | 174.8 | -80 | 167.4 | 0 | 0 | 0 | 114.2 | E437 | E437-L439 PolarHBondContact O-N 3.39Å; E437-L439 VanDerWaalsContact O-N 3.14Å |
| 440 | K | 32 | Very low | 31.6 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -10.1 | -176.8 | -137.5 | 172.8 | -175.7 | -179.1 | 0 | 114.2 | E437 | E437-K440 PolarHBondContact O-N 2.84Š|
| 441 | C | 30.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -96.1 | 6.5 | 176.4 | -65 | 0 | 0 | 0 | 0 | 114.4 | | |
| 442 | M | 31.3 | Very low | 31.3 | Very low | 158 Ų | 158 | 119 Ų | 119 | 78% | 0.778 | 69% | 0.69 | S | S | * | * | | | trans | -114.6 | 43.1 | -176.2 | -158.9 | 160.5 | 61.6 | 0 | 0 | 112.3 | | |
| 443 | A | 27.6 | Very low | 31.4 | Very low | 96 Ų | 96 | 117.1 Ų | 117.1 | 79% | 0.793 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -130.7 | 26 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 444 | A | 29.3 | Very low | 31.8 | Very low | 86 Ų | 86 | 119.4 Ų | 119.4 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -149.2 | 58.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 445 | N | 32.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 115.4 Ų | 115.4 | 91% | 0.909 | 68% | 0.683 | S | S | * | * | | | trans | -169.1 | 114.6 | 153.7 | -95.4 | -35.1 | 0 | 0 | 0 | 108.7 | | |
| 446 | G | 28.2 | Very low | 31.2 | Very low | 44 Ų | 44 | 115.4 Ų | 115.4 | 45% | 0.454 | 70% | 0.697 | S | S | . | * | | | trans | -84.9 | 156.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H797 | G446-H797 WeakPolarHBondContact CA-NE2 3.43Å; G446-H797 PolarHBondContact O-CE1 3.02Å; G446-H797 PolarHBondContact O-NE2 3.04Å |
| 447 | N | 29.1 | Very low | 30.9 | Very low | 94 Ų | 94 | 112.2 Ų | 112.2 | 50% | 0.503 | 69% | 0.685 | S | S | . | * | | | trans | 59.5 | 148.1 | 177.4 | -75.4 | 32.3 | 0 | 0 | 0 | 116.1 | H797 | N447-H797 HydrophobicContact CB-CB 4.45Å; N447-H797 PolarHBondContact OD1-CD2 3.3Å |
| 448 | L | 28.2 | Very low | 30.6 | Very low | 156 Ų | 156 | 110.1 Ų | 110.1 | 82% | 0.817 | 69% | 0.687 | S | S | * | * | | | cis | -124.5 | 121.3 | 13.9 | -67.4 | 158.2 | 0 | 0 | 0 | 111.1 | | |
| 449 | I | 27.8 | Very low | 30.4 | Very low | 160 Ų | 160 | 116 Ų | 116 | 82% | 0.821 | 69% | 0.694 | S | S | * | * | | | trans | -139.9 | 133.1 | 165.9 | -70.6 | -172.4 | 0 | 0 | 0 | 110.5 | | |
| 450 | S | 27.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 115.7 Ų | 115.7 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | | | trans | 62.7 | 110.6 | 160.7 | -66 | 0 | 0 | 0 | 0 | 121.4 | | |
| 451 | A | 29.2 | Very low | 30.1 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | | | | -132.5 | 156.2 | 98.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 452 | V | 29.2 | Very low | 30 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 78% | 0.782 | 70% | 0.698 | S | S | * | * | S | Bend | cis | -131.2 | 118.9 | 22.2 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 453 | N | 31.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 60% | 0.604 | 70% | 0.695 | S | S | * | * | | | trans | 36.1 | 103.3 | 141 | -57.1 | -4.2 | 0 | 0 | 0 | 121 | P455 | N453-P455 HydrophobicContact CB-CG 4.15Š|
| 454 | V | 40.5 | Very low | 30.2 | Very low | 138 Ų | 138 | 116.8 Ų | 116.8 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | | | | -54.1 | 140.2 | 121.2 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 455 | P | 31 | Very low | 30 | Very low | 46 Ų | 46 | 119.5 Ų | 119.5 | 30% | 0.299 | 70% | 0.703 | S | S | . | * | | | trans | -140.2 | 131.1 | 134.7 | 12.4 | 11.7 | 0 | 0 | 0 | 115.6 | T408 N453 | T408-P455 HydrophobicContact CG2-CB 3.58Å; T408-P455 HydrophobicContact CG2-CG 3.4Å; T408-P455 VanDerWaalsContact CG2-CG 3.4Å; T408-P455 WeakPolarHBondContact CG2-O 3.49Å; N453-P455 HydrophobicContact CB-CG 4.15Å |
| 456 | A | 28.4 | Very low | 29.8 | Very low | 90 Ų | 90 | 119.7 Ų | 119.7 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | | | trans | -111.9 | 128.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 457 | S | 31.4 | Very low | 29.8 | Very low | 50 Ų | 50 | 121.6 Ų | 121.6 | 35% | 0.35 | 71% | 0.71 | S | S | . | * | | | trans | -75.7 | 138.9 | -164.4 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | L409 | L409-S457 VanDerWaalsContact CD2-OG 3.27Å; L409-S457 WeakPolarHBondContact CD2-OG 3.42Å |
| 458 | S | 29.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | | | trans | -58.4 | 149.2 | 162.1 | 46 | 0 | 0 | 0 | 0 | 112.3 | | |
| 459 | Y | 27.7 | Very low | 29.9 | Very low | 200 Ų | 200 | 123.1 Ų | 123.1 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | | | trans | -112.8 | 116 | 153.6 | -109.1 | -82.8 | 0 | 0 | 0 | 108.4 | | |
| 460 | S | 30.5 | Very low | 30 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | | | trans | -149.6 | 121.2 | 153.5 | -77.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 461 | T | 30.1 | Very low | 30.2 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | | | trans | -62.8 | 158.2 | 164.1 | 38.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 462 | N | 29.7 | Very low | 30.2 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | | | cis | -146.5 | 135.5 | 6.5 | -119.7 | -15.5 | 0 | 0 | 0 | 111.6 | | |
| 463 | I | 28.1 | Very low | 30.3 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | | | | 21.2 | 121.8 | 116.6 | -58.8 | 175.4 | 0 | 0 | 0 | 115.7 | | |
| 464 | Q | 33.7 | Very low | 30.3 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | | | | -159.7 | 110.9 | 107.5 | -150.5 | 152.7 | -3.9 | 0 | 0 | 114.3 | | |
| 465 | T | 26.5 | Very low | 29.9 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | | | trans | -127.5 | 120.8 | 150.1 | 43.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 466 | Q | 28.8 | Very low | 29.8 | Very low | 174 Ų | 174 | 130 Ų | 130 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | | | trans | -110.3 | 140.4 | 166.1 | -159.3 | 166.4 | 16.1 | 0 | 0 | 107.6 | | |
| 467 | A | 26.5 | Very low | 29.9 | Very low | 84 Ų | 84 | 132.7 Ų | 132.7 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | | | trans | -75.8 | 159.5 | -161 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 468 | N | 29.1 | Very low | 29.7 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | | -158 | 138.6 | 127.1 | -95.1 | -32.6 | 0 | 0 | 0 | 111.9 | | |
| 469 | N | 30.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | 64.2 | 108.9 | 152 | -59.7 | -13.2 | 0 | 0 | 0 | 121.1 | | |
| 470 | S | 30.4 | Very low | 29.6 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | | 48.4 | 140.9 | 123 | 63.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 471 | S | 32.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | cis | -168.3 | 165.2 | 1.9 | 39 | 0 | 0 | 0 | 0 | 111.9 | | |
| 472 | N | 27.8 | Very low | 29 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | -34.1 | 142.8 | 174.3 | -48.3 | -10 | 0 | 0 | 0 | 116.1 | | |
| 473 | Y | 32.2 | Very low | 29 | Very low | 218 Ų | 218 | 141.9 Ų | 141.9 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | | -159.9 | 124.5 | 105.5 | -117.3 | -94 | 0 | 0 | 0 | 110.9 | | |
| 474 | N | 31.9 | Very low | 28.9 | Very low | 110 Ų | 110 | 141 Ų | 141 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | | | trans | 10 | 157.4 | 137.9 | -62.9 | 59.4 | 0 | 0 | 0 | 120.9 | | |
| 475 | D | 32.2 | Very low | 28.7 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | | | cis | -171.6 | 152 | -17.3 | -109.9 | -12.7 | 0 | 0 | 0 | 111.2 | | |
| 476 | N | 28.8 | Very low | 28.9 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | | | trans | 41.6 | 147.8 | 134 | -59.8 | -40.6 | 0 | 0 | 0 | 125 | | |
| 477 | I | 30.3 | Very low | 29 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | trans | 98.2 | 124.6 | 130.5 | -89.9 | 166 | 0 | 0 | 0 | 121.3 | | |
| 478 | E | 27.3 | Very low | 29 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | | | trans | 53.3 | 121.3 | 145.7 | -74.4 | -164.4 | -141.1 | 0 | 0 | 124.4 | | |
| 479 | R | 28.6 | Very low | 29.7 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | | 79.5 | 153.6 | 112.3 | -168.2 | 176.3 | 175.2 | 169.9 | 0 | 120.3 | | |
| 480 | L | 25.2 | Very low | 29.6 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -53.4 | 128.8 | 164.8 | -68.3 | 142.8 | 0 | 0 | 0 | 112 | | |
| 481 | Q | 26.5 | Very low | 29.8 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | | -166.5 | 148.5 | 114.9 | -109.2 | 170.4 | -8.6 | 0 | 0 | 115.2 | | |
| 482 | S | 23.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -74.7 | 140.5 | -179.7 | -34.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 483 | A | 28.3 | Very low | 30 | Very low | 104 Ų | 104 | 141 Ų | 141 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -158.1 | 75.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 484 | S | 26.3 | Very low | 30 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -122.3 | 97.4 | 159.8 | 46.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 485 | Q | 30.6 | Very low | 30 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -119.9 | 135.1 | 170.4 | -73.6 | -169.9 | -2.6 | 0 | 0 | 109.8 | | |
| 486 | I | 30.9 | Very low | 29.9 | Very low | 161 Ų | 161 | 139 Ų | 139 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | | -176.3 | 147.2 | 125.1 | -95 | 155.6 | 0 | 0 | 0 | 108.1 | | |
| 487 | S | 30.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | 72.8 | 83.4 | 174.9 | -57.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 488 | S | 25.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -93.5 | 169 | 148.2 | -50.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 489 | P | 43.7 | Very low | 29.7 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | | -140.7 | 147.1 | 120.6 | 36.7 | -25 | 0 | 0 | 0 | 116 | | |
| 490 | N | 29.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | | | trans | -5.5 | 136.8 | 154.9 | -55.7 | -35.5 | 0 | 0 | 0 | 117.7 | | |
| 491 | L | 33.9 | Very low | 29.9 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | | -161.1 | 153.1 | 75.1 | -147.1 | 67.4 | 0 | 0 | 0 | 113.7 | | |
| 492 | S | 32.1 | Very low | 30.2 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | trans | 33.7 | 138.3 | 151.8 | 56.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 493 | S | 33.2 | Very low | 30.4 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | cis | -176.6 | 161.7 | -4.8 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 494 | T | 31.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | 4.3 | 143.5 | 149.2 | 54.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 495 | N | 32.8 | Very low | 30.8 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | cis | -161.1 | -178.3 | 23.7 | -124.9 | -15.1 | 0 | 0 | 0 | 114.2 | | |
| 496 | N | 29.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | trans | -74.7 | 166.8 | -176.4 | -60.3 | -76.3 | 0 | 0 | 0 | 116.1 | | |
| 497 | L | 29.4 | Very low | 30.5 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | 88.5 | 107.4 | 148.3 | -133.2 | 80.1 | 0 | 0 | 0 | 120.5 | | |
| 498 | A | 27.5 | Very low | 30.6 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | 48.9 | 122.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 499 | A | 25.5 | Very low | 30.9 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | 38.6 | 131.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 500 | L | 27.1 | Very low | 30.4 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 90% | 0.895 | 75% | 0.75 | S | S | * | * | | | cis | -151.2 | 163.8 | 48 | -170.3 | 66.8 | 0 | 0 | 0 | 111.9 | | |
| 501 | V | 29.9 | Very low | 31.1 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | | | trans | -100.6 | 129.4 | -171.3 | 169.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 502 | A | 33 | Very low | 31.6 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | | | trans | 46.8 | 140.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 503 | H | 28.4 | Very low | 32.1 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | | | trans | -136.5 | 148.5 | 149 | -88.2 | 14.7 | 0 | 0 | 0 | 108.4 | | |
| 504 | L | 31.3 | Very low | 32.8 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 65% | 0.654 | 75% | 0.745 | S | S | * | * | | | cis | -161.9 | -176.6 | -15.1 | -109.8 | 172.8 | 0 | 0 | 0 | 105.1 | | |
| 505 | T | 30.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | cis | -156.3 | 160.7 | 18.4 | -15.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 506 | A | 26.6 | Very low | 32.7 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | | | cis | -151.7 | 173.1 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 507 | S | 29.1 | Very low | 32.8 | Very low | 65 Ų | 65 | 129 Ų | 129 | 46% | 0.455 | 75% | 0.751 | S | S | . | * | | | cis | -155.7 | 150.4 | 15.1 | 80.9 | 0 | 0 | 0 | 0 | 115 | | |
| 508 | N | 33 | Very low | 32.9 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 58% | 0.578 | 73% | 0.728 | S | S | * | * | | | trans | 69.8 | 77.3 | 145.7 | -50.6 | -22.5 | 0 | 0 | 0 | 119.5 | | |
| 509 | N | 31.2 | Very low | 33 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | | | | 41.5 | 140.9 | 116.3 | -59.1 | 6.2 | 0 | 0 | 0 | 121.7 | | |
| 510 | S | 32.7 | Very low | 33.3 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | | | trans | -73.9 | 168.4 | 175 | 48.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 511 | R | 45.2 | Very low | 33.6 | Very low | 230 Ų | 230 | 122.8 Ų | 122.8 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | | | trans | -130.4 | 146.6 | 176.8 | -116.1 | -171.2 | 171.6 | -177.9 | -2.6 | 107 | | |
| 512 | T | 44 | Very low | 33.5 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 62% | 0.62 | 70% | 0.702 | S | S | * | * | | | cis | -144.1 | 136.7 | 15.7 | 34.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 513 | I | 43.2 | Very low | 33.5 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | | | | 56.8 | 119.5 | 127 | -57.9 | 171.8 | 0 | 0 | 0 | 115.7 | | |
| 514 | P | 47.3 | Very low | 33.6 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | | | | -140.9 | -177.9 | 67.5 | 35.2 | -15.5 | 0 | 0 | 0 | 117.1 | S516 | P514-S516 PolarHBondContact O-N 3.38Š|
| 515 | Q | 24.8 | Very low | 33.5 | Very low | 186 Ų | 186 | 116 Ų | 116 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | | | trans | -17.1 | 119.7 | 135.5 | -170.5 | 173.3 | 1.5 | 0 | 0 | 112.3 | | |
| 516 | S | 37 | Very low | 33.5 | Very low | 104 Ų | 104 | 113.9 Ų | 113.9 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | | | trans | -76.9 | 145.4 | -166.9 | 54.4 | 0 | 0 | 0 | 0 | 115.2 | P514 | P514-S516 PolarHBondContact O-N 3.38Š|
| 517 | V | 31.8 | Very low | 33.8 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 79% | 0.788 | 66% | 0.662 | S | S | * | * | | | trans | -147.3 | 121.9 | 150 | 179.4 | 0 | 0 | 0 | 0 | 106.1 | V1380 | V517-V1380 HydrophobicContact CG1-CG1 4.22Š|
| 518 | A | 30.8 | Very low | 33.9 | Very low | 48 Ų | 48 | 117.6 Ų | 117.6 | 40% | 0.397 | 68% | 0.678 | S | S | . | * | | | cis | -149.6 | 154.5 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1380 | A518-V1380 HydrophobicContact CB-CG1 3.78Š|
| 519 | T | 30.9 | Very low | 33.8 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 63% | 0.632 | 69% | 0.688 | S | S | * | * | | | trans | 39.7 | 138.7 | 133.6 | 61.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 520 | N | 31.1 | Very low | 33.7 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | | | cis | -165.2 | 171.7 | 8.8 | -116 | -4.6 | 0 | 0 | 0 | 108.1 | | |
| 521 | I | 32.8 | Very low | 33.8 | Very low | 118 Ų | 118 | 115.9 Ų | 115.9 | 61% | 0.605 | 68% | 0.676 | S | S | * | * | S | Bend | cis | -149.5 | 167.7 | 2.3 | -135.2 | 166.4 | 0 | 0 | 0 | 105.4 | | |
| 522 | P | 29.5 | Very low | 33.1 | Very low | 121 Ų | 121 | 111.1 Ų | 111.1 | 79% | 0.786 | 67% | 0.668 | S | S | * | * | S | Bend | cis | -111.2 | 173.2 | 37.1 | 1.2 | 23.5 | 0 | 0 | 0 | 116.3 | | |
| 523 | N | 31.5 | Very low | 32.5 | Very low | 111 Ų | 111 | 111.8 Ų | 111.8 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | | | trans | -72 | 162.2 | -173 | -86.1 | -19.2 | 0 | 0 | 0 | 115.9 | | |
| 524 | T | 31.3 | Very low | 32 | Very low | 67 Ų | 67 | 109.9 Ų | 109.9 | 41% | 0.411 | 66% | 0.659 | S | S | . | * | | | cis | -171.4 | -177.7 | -46.5 | 19.5 | 0 | 0 | 0 | 0 | 107.4 | T543 K544 | T524-T543 WeakPolarHBondContact O-CB 3.29Å; T524-T543 WeakPolarHBondContact OG1-CG2 3.3Å; T524-K544 VanDerWaalsContact O-CB 3.31Å; T524-K544 WeakPolarHBondContact O-CB 3.46Å; T524-K544 PolarHBondContact O-N 2.84Å |
| 525 | T | 28.9 | Very low | 31.3 | Very low | 75 Ų | 75 | 109.2 Ų | 109.2 | 46% | 0.46 | 65% | 0.653 | S | S | . | * | | | trans | -111.5 | 160.9 | -166 | -55.7 | 0 | 0 | 0 | 0 | 114 | T543 K544 S545 | T525-T543 VanDerWaalsContact O-CB 3.22Å; T525-T543 WeakPolarHBondContact O-CB 3.2Å; T525-T543 PolarHBondContact O-OG1 3.14Å; T525-K544 PolarHBondContact OG1-NZ 2.94Å; T525-S545 WeakPolarHBondContact CG2-OG 3.37Å |
| 526 | C | 29.8 | Very low | 31.7 | Very low | 79 Ų | 79 | 103.9 Ų | 103.9 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | | | trans | -77.6 | 164 | 179.1 | -149.9 | 0 | 0 | 0 | 0 | 113.2 | K544 S545 | C526-K544 WeakPolarHBondContact CB-O 3.42Å; C526-S545 VanDerWaalsContact CB-OG 3.25Å; C526-S545 WeakPolarHBondContact CB-OG 3.36Å; C526-S545 PolarHBondContact N-OG 3.45Å |
| 527 | G | 33.8 | Very low | 31.4 | Very low | 71 Ų | 71 | 106.2 Ų | 106.2 | 73% | 0.732 | 65% | 0.645 | S | S | * | * | | | trans | 133.7 | 113.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 528 | I | 30.3 | Very low | 31.5 | Very low | 151 Ų | 151 | 105.2 Ų | 105.2 | 77% | 0.774 | 64% | 0.644 | S | S | * | * | | | trans | -122.4 | 125.9 | -178.1 | -57.7 | 168.7 | 0 | 0 | 0 | 109.9 | | |
| 529 | T | 31.9 | Very low | 31.6 | Very low | 129 Ų | 129 | 111.3 Ų | 111.3 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | | | trans | -166.4 | 113.7 | 132.6 | 42.5 | 0 | 0 | 0 | 0 | 105.6 | | |
| 530 | S | 29.7 | Very low | 31.7 | Very low | 99 Ų | 99 | 111.5 Ų | 111.5 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | | | | 62.9 | 129 | 69.5 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 531 | T | 33.2 | Very low | 31.7 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | | | cis | -112.5 | 172.2 | 11.1 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 532 | D | 31.2 | Very low | 31.5 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | | | cis | -167 | 165.4 | -4.4 | -118.2 | 30 | 0 | 0 | 0 | 108 | | |
| 533 | N | 30.8 | Very low | 31.6 | Very low | 116 Ų | 116 | 109.9 Ų | 109.9 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | | | cis | -163.8 | -167.8 | -14.9 | -147.6 | -39.1 | 0 | 0 | 0 | 109 | | |
| 534 | N | 33.4 | Very low | 31.6 | Very low | 105 Ų | 105 | 111.4 Ų | 111.4 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | | | trans | 65.6 | 85.2 | 156.2 | -62.3 | -30.7 | 0 | 0 | 0 | 118.9 | | |
| 535 | T | 32.6 | Very low | 31.7 | Very low | 94 Ų | 94 | 110.5 Ų | 110.5 | 58% | 0.577 | 66% | 0.659 | S | S | * | * | | | | 45.6 | 135.5 | 118.9 | 60.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 536 | A | 33.2 | Very low | 31.7 | Very low | 74 Ų | 74 | 113 Ų | 113 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | | | cis | -155.2 | 168.6 | 20 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 537 | D | 31.8 | Very low | 31.9 | Very low | 154 Ų | 154 | 114.7 Ų | 114.7 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | | | trans | 44.2 | 109.9 | 153.6 | -55.1 | -19 | 0 | 0 | 0 | 119.7 | | |
| 538 | S | 32.6 | Very low | 31.7 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | | | | -175.7 | 148.7 | 64.4 | 40.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 539 | L | 32.8 | Very low | 31.7 | Very low | 175 Ų | 175 | 117 Ų | 117 | 92% | 0.916 | 69% | 0.686 | S | S | * | * | | | trans | 74.1 | 117.3 | 167.2 | -55.5 | 177.4 | 0 | 0 | 0 | 119.9 | | |
| 540 | S | 33.5 | Very low | 31.7 | Very low | 108 Ų | 108 | 114.7 Ų | 114.7 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | | | trans | -95.6 | 167.7 | -160.7 | -49.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 541 | F | 31.8 | Very low | 31.9 | Very low | 184 Ų | 184 | 118.1 Ų | 118.1 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | | | cis | -161.6 | -177.9 | -12.3 | -130.8 | -106 | 0 | 0 | 0 | 113.1 | | |
| 542 | S | 28.9 | Very low | 31.7 | Very low | 86 Ų | 86 | 120 Ų | 120 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | | | trans | -72.6 | -166.4 | -172.6 | -55.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 543 | T | 29.8 | Very low | 31.7 | Very low | 64 Ų | 64 | 118.6 Ų | 118.6 | 39% | 0.393 | 69% | 0.69 | S | S | . | * | | | | -156.5 | 179.9 | -62.8 | 54 | 0 | 0 | 0 | 0 | 110.5 | T524 T525 | T524-T543 WeakPolarHBondContact O-CB 3.29Å; T524-T543 WeakPolarHBondContact OG1-CG2 3.3Å; T525-T543 VanDerWaalsContact O-CB 3.22Å; T525-T543 WeakPolarHBondContact O-CB 3.2Å; T525-T543 PolarHBondContact O-OG1 3.14Å |
| 544 | K | 32.9 | Very low | 31.8 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | | | trans | -70.7 | -147.4 | -171.5 | -143.3 | 169.2 | 63.6 | -153.7 | 0 | 114.4 | T524 T525 C526 | T524-K544 VanDerWaalsContact O-CB 3.31Å; T524-K544 WeakPolarHBondContact O-CB 3.46Å; T524-K544 PolarHBondContact O-N 2.84Å; T525-K544 PolarHBondContact OG1-NZ 2.94Å; C526-K544 WeakPolarHBondContact CB-O 3.42Å |
| 545 | S | 32.2 | Very low | 31.6 | Very low | 48 Ų | 48 | 123.3 Ų | 123.3 | 34% | 0.336 | 71% | 0.707 | S | S | . | * | | | cis | -160.9 | -167.4 | 4.6 | 44.2 | 0 | 0 | 0 | 0 | 109.6 | T525 C526 | T525-S545 WeakPolarHBondContact CG2-OG 3.37Å; C526-S545 VanDerWaalsContact CB-OG 3.25Å; C526-S545 WeakPolarHBondContact CB-OG 3.36Å; C526-S545 PolarHBondContact N-OG 3.45Å |
| 546 | T | 30.5 | Very low | 31.4 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | | | cis | -158.6 | -167.8 | 24.2 | -30.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 547 | S | 33.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | | | trans | -161.9 | 157 | -164.6 | 56 | 0 | 0 | 0 | 0 | 116.2 | | |
| 548 | E | 28.6 | Very low | 31 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | | | trans | -128.5 | -155.1 | 163.9 | -147.8 | -134.7 | -33.5 | 0 | 0 | 109.1 | | |
| 549 | S | 30.7 | Very low | 30.9 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | | | cis | -162.7 | -173.6 | 6.8 | 72.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 550 | S | 31.7 | Very low | 30.8 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | | | cis | -171.6 | 127.5 | -38.4 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 551 | N | 35 | Very low | 30.7 | Very low | 171 Ų | 171 | 122.8 Ų | 122.8 | 91% | 0.914 | 71% | 0.706 | S | S | * | * | | | trans | -172.6 | 148.9 | 164.5 | -115.2 | -28.8 | 0 | 0 | 0 | 113.3 | | |
| 552 | I | 29 | Very low | 30.5 | Very low | 166 Ų | 166 | 118.5 Ų | 118.5 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | | | trans | -141.1 | 156.4 | -170.6 | -74.8 | -179.8 | 0 | 0 | 0 | 113.7 | | |
| 553 | S | 31.5 | Very low | 30.9 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | | | trans | -107.5 | 173.7 | -178.8 | 57.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 554 | N | 31.2 | Very low | 30.9 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | -150 | 159.1 | 161.7 | -96 | -56.4 | 0 | 0 | 0 | 108.7 | | |
| 555 | F | 29.2 | Very low | 30.6 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | cis | -128.1 | 175.3 | 22.8 | -75 | -95.8 | 0 | 0 | 0 | 111.4 | | |
| 556 | N | 29.6 | Very low | 30.4 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | cis | -153.7 | 167 | 12.5 | -143.5 | -29.2 | 0 | 0 | 0 | 113.2 | | |
| 557 | A | 28.5 | Very low | 30.5 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | 71.6 | 143.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 558 | L | 28.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 80% | 0.801 | 72% | 0.721 | S | S | * | * | | | cis | -170.1 | 121.5 | -21.2 | -176 | 67.6 | 0 | 0 | 0 | 111.1 | | |
| 559 | V | 29.6 | Very low | 30.4 | Very low | 121 Ų | 121 | 124 Ų | 124 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | | | trans | 64.3 | 141.8 | 156.8 | 169.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 560 | S | 31.3 | Very low | 30.4 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | | | cis | -123.5 | 155.1 | 7.2 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 561 | S | 30.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | | | | 63.2 | 129.2 | 55 | -37 | 0 | 0 | 0 | 0 | 114.1 | | |
| 562 | A | 28.8 | Very low | 30.5 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | | | cis | -161.7 | 164.2 | -9.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 563 | P | 37.4 | Very low | 30.7 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | | | trans | -94.3 | -162.6 | 179.2 | 38.4 | -35.4 | 0 | 0 | 0 | 113.8 | | |
| 564 | V | 28 | Very low | 30.8 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | | | trans | 98 | 127.1 | 173.7 | 178.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 565 | Y | 27.1 | Very low | 30.8 | Very low | 193 Ų | 193 | 122.7 Ų | 122.7 | 76% | 0.757 | 71% | 0.705 | S | S | * | * | | | cis | -164.8 | -170 | -6.7 | -142 | -106.2 | 0 | 0 | 0 | 113.4 | | |
| 566 | T | 28.8 | Very low | 31 | Very low | 78 Ų | 78 | 120.8 Ų | 120.8 | 48% | 0.479 | 71% | 0.708 | S | S | . | * | | | trans | 70.4 | 156.8 | 162.3 | 47.7 | 0 | 0 | 0 | 0 | 116.9 | L153 | L153-T566 WeakPolarHBondContact CD1-OG1 3.46Å; L153-T566 WeakPolarHBondContact CD2-O 3.2Å; L153-T566 VanDerWaalsContact CD2-OG1 3.31Å; L153-T566 WeakPolarHBondContact CD2-OG1 3.19Å |
| 567 | K | 31.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 48% | 0.478 | 71% | 0.707 | S | S | . | * | | | cis | -164.5 | 169.2 | -6.2 | -115.2 | -167.3 | 134.3 | -153.1 | 0 | 105.1 | T152 L153 | T152-K567 VanDerWaalsContact CB-CD 3.45Å; T152-K567 HydrophobicContact CG2-CD 3.97Å; T152-K567 VanDerWaalsContact OG1-CD 3.26Å; T152-K567 WeakPolarHBondContact OG1-CD 3.3Å; T152-K567 PolarHBondContact OG1-NZ 3.09Å; L153-K567 HydrophobicContact CB-CB 3.94Å |
| 568 | V | 28.9 | Very low | 31.1 | Very low | 96 Ų | 96 | 123 Ų | 123 | 58% | 0.582 | 72% | 0.715 | S | S | * | * | | | cis | -172.5 | 153.4 | -29.3 | 62.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 569 | D | 30.5 | Very low | 31.1 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | | | trans | 165 | 149.8 | 146.1 | -91.2 | -16.4 | 0 | 0 | 0 | 108.5 | | |
| 570 | H | 31.9 | Very low | 31.1 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | | | cis | -166.7 | 157.9 | -32.1 | -151.1 | -66.6 | 0 | 0 | 0 | 106.5 | | |
| 571 | I | 34.5 | Very low | 31 | Very low | 142 Ų | 142 | 119.2 Ų | 119.2 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | | | trans | 71.1 | 134.5 | 168.8 | -55.1 | 173.4 | 0 | 0 | 0 | 114.4 | | |
| 572 | D | 33.2 | Very low | 30.9 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 68% | 0.679 | 71% | 0.714 | S | S | * | * | | | cis | -152.6 | 155.1 | -16.8 | -113.1 | -30.7 | 0 | 0 | 0 | 107.6 | | |
| 573 | S | 34.1 | Very low | 31.4 | Very low | 88 Ų | 88 | 123 Ų | 123 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | | | | 49.6 | 127.1 | 89.9 | -40.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 574 | D | 33.6 | Very low | 31.1 | Very low | 162 Ų | 162 | 122 Ų | 122 | 87% | 0.866 | 71% | 0.71 | S | S | * | * | | | cis | -143.8 | -178.8 | 17.1 | -79.8 | -55.6 | 0 | 0 | 0 | 110.2 | | |
| 575 | G | 32.1 | Very low | 31.3 | Very low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 71% | 0.705 | S | S | * | * | | | cis | 121.5 | 129.9 | 4.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 576 | T | 32.1 | Very low | 31.7 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | | | trans | 60.8 | 127.6 | 174 | 60.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 577 | S | 26.5 | Very low | 32 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | | | cis | 83 | 105.8 | 42.2 | 81.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 578 | L | 33.9 | Very low | 32.1 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 88% | 0.88 | 73% | 0.728 | S | S | * | * | | | trans | -155.3 | 117.5 | 149.3 | -87.2 | 175.2 | 0 | 0 | 0 | 105.8 | | |
| 579 | V | 28.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | | | cis | 86.6 | 111.9 | 49.4 | 174.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 580 | S | 29.5 | Very low | 32.5 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | trans | 59.1 | 150.2 | 157.8 | -59.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 581 | G | 29.7 | Very low | 32.3 | Very low | 65 Ų | 65 | 120.9 Ų | 120.9 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | | | cis | 123 | 170.8 | 0.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 582 | L | 28.8 | Very low | 32.2 | Very low | 157 Ų | 157 | 122.6 Ų | 122.6 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | trans | 69.8 | 150 | -178.1 | -44.8 | 171.4 | 0 | 0 | 0 | 112.5 | | |
| 583 | T | 37.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | cis | -137.1 | 140.7 | 25.6 | 41.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 584 | S | 33.1 | Very low | 32.1 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | | 70.7 | 139.7 | 65.1 | -77.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 585 | V | 30.7 | Very low | 32 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | | | cis | -167.6 | 177 | -13.9 | 96.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 586 | N | 36.3 | Very low | 31.9 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | 104.3 | 139 | 170.3 | -62 | -55.1 | 0 | 0 | 0 | 116.2 | | |
| 587 | N | 35 | Very low | 32.2 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | cis | -163.3 | 141.6 | -23.5 | -130.2 | -8.7 | 0 | 0 | 0 | 111.7 | | |
| 588 | I | 34.5 | Very low | 32.3 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | | | trans | 52.3 | 116.9 | 152.9 | -60.1 | 160 | 0 | 0 | 0 | 118.9 | | |
| 589 | G | 32.9 | Very low | 32.1 | Very low | 66 Ų | 66 | 130.4 Ų | 130.4 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | trans | 166.4 | 59.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 590 | T | 33.7 | Very low | 32.3 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | 41.4 | 128 | 155.4 | 54.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 591 | N | 28.4 | Very low | 32.4 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | 86.9 | 147.9 | 156.2 | -64 | 6.1 | 0 | 0 | 0 | 120.6 | | |
| 592 | E | 32.9 | Very low | 32.6 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | 72.8 | 113.6 | 165.3 | -70.5 | 173.8 | -164.8 | 0 | 0 | 121.5 | | |
| 593 | D | 30.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | 69.2 | 157.7 | 139.3 | -72 | 6.8 | 0 | 0 | 0 | 126.4 | | |
| 594 | I | 34.4 | Very low | 32.2 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | 97.1 | 97.1 | 162.4 | -48.5 | -175.8 | 0 | 0 | 0 | 119.5 | | |
| 595 | N | 29.8 | Very low | 31.9 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 38.1 | 128.8 | 139 | -70.7 | -19.1 | 0 | 0 | 0 | 124.8 | | |
| 596 | F | 29.9 | Very low | 31.9 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | | 29.2 | 152.8 | 117.5 | -66.7 | -70.8 | 0 | 0 | 0 | 121.8 | | |
| 597 | P | 38.6 | Very low | 31.7 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | cis | -147.7 | 176.8 | 30.4 | 44.4 | -25 | 0 | 0 | 0 | 119.6 | | |
| 598 | S | 29.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | 55 | 125.2 | 146.6 | -61.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 599 | N | 30.2 | Very low | 31.1 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | -156.5 | -177.7 | 134.2 | -152.4 | 47.4 | 0 | 0 | 0 | 112.4 | | |
| 600 | D | 32.8 | Very low | 30.9 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | 97.1 | 147.9 | 156.4 | -58.7 | -22.6 | 0 | 0 | 0 | 121.2 | | |
| 601 | Q | 31.8 | Very low | 30.8 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | -156.6 | 169.1 | -170.5 | -100.8 | -81.7 | 3.7 | 0 | 0 | 108.5 | | |
| 602 | A | 32.1 | Very low | 30.9 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | trans | 68.1 | 76.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 603 | L | 30.7 | Very low | 31.1 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | | | | 52.7 | 127 | 117.1 | -65 | 174.4 | 0 | 0 | 0 | 123.2 | | |
| 604 | D | 28 | Very low | 30.9 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 76.9 | 101.6 | 132.9 | -153.7 | 19.4 | 0 | 0 | 0 | 120.6 | | |
| 605 | M | 26.5 | Very low | 30.7 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 80% | 0.803 | 77% | 0.766 | S | S | * | * | | | | 176.5 | 157.7 | 101 | -90.8 | -170.5 | 75.5 | 0 | 0 | 113.4 | | |
| 606 | S | 30.5 | Very low | 30.8 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | 84.4 | 100 | 153.1 | -149.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 607 | V | 33.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | | 46.1 | 115.4 | 119.3 | -173.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 608 | R | 28.3 | Very low | 30.1 | Very low | 225 Ų | 225 | 136.4 Ų | 136.4 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | | | trans | 77.5 | 113.1 | 149 | -77.2 | 174.2 | -175 | -169.7 | 1.3 | 121.3 | | |
| 609 | S | 27.3 | Very low | 30.1 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | | 95.2 | 129.1 | 114.7 | -69.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 610 | V | 30.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | | | trans | 78.5 | 100 | 145.6 | 176.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 611 | S | 29.9 | Very low | 30.1 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | | | trans | 64.4 | 100.6 | 134.8 | -55.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 612 | I | 31 | Very low | 30.2 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | | | | 41.1 | 112.4 | 108.4 | -54.9 | 163.8 | 0 | 0 | 0 | 116.5 | | |
| 613 | P | 37.1 | Very low | 30.3 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | | -89.1 | 133.7 | 125.8 | 32.8 | -28.3 | 0 | 0 | 0 | 109.9 | | |
| 614 | S | 26.3 | Very low | 30.4 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | -137.9 | 106.3 | 179 | 159.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 615 | E | 31.4 | Very low | 30.7 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | | | trans | -116 | 113.5 | 164.8 | -63.8 | -164.8 | 158.4 | 0 | 0 | 107.7 | | |
| 616 | H | 31.7 | Very low | 31 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | | | | 56 | 100.2 | 98.3 | -88.8 | -89.9 | 0 | 0 | 0 | 112.3 | | |
| 617 | S | 26.3 | Very low | 30.9 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | cis | 67.5 | 144.4 | 43 | -43.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 618 | Q | 26.7 | Very low | 30.8 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | trans | 96.5 | 118.2 | 163 | -54.8 | -176.6 | 10.9 | 0 | 0 | 119 | | |
| 619 | S | 30.6 | Very low | 30.9 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -171.5 | 126.6 | 141 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 620 | F | 29.9 | Very low | 31 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | S | Bend | cis | -159.6 | 141.4 | -11.5 | -148.2 | -127.4 | 0 | 0 | 0 | 107.4 | | |
| 621 | T | 33 | Very low | 31.3 | Very low | 100 Ų | 100 | 131 Ų | 131 | 61% | 0.613 | 73% | 0.731 | S | S | * | * | | | cis | -119.3 | -101.7 | -2.5 | -30.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 622 | Q | 32.3 | Very low | 31.4 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | cis | -154 | 113.1 | -19.4 | -168.2 | 175.3 | -50.6 | 0 | 0 | 111.7 | | |
| 623 | T | 34.2 | Very low | 31.4 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | | | trans | 52.7 | 137.3 | 163.7 | 58 | 0 | 0 | 0 | 0 | 119.8 | | |
| 624 | S | 33.8 | Very low | 31 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | | | cis | -171.5 | 141.2 | -9.1 | -99.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 625 | N | 33.1 | Very low | 31.3 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | 43.5 | 154.2 | 131.2 | -56.5 | -11.8 | 0 | 0 | 0 | 122.3 | | |
| 626 | I | 33 | Very low | 31.4 | Very low | 132 Ų | 132 | 135 Ų | 135 | 68% | 0.677 | 74% | 0.735 | S | S | * | * | | | cis | -167 | 150.5 | -18.2 | -107.4 | 161.8 | 0 | 0 | 0 | 105.7 | K628 | I626-K628 HydrophobicContact CG2-CB 4.4Š|
| 627 | T | 28.5 | Very low | 31.3 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | | | trans | -81.6 | 115.7 | 167.8 | 26.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 628 | K | 31.7 | Very low | 31.6 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | | | trans | -167.4 | 153.7 | 167.6 | -99.7 | -179.3 | -178.2 | 177.4 | 0 | 107.5 | I626 | I626-K628 HydrophobicContact CG2-CB 4.4Š|
| 629 | S | 30.2 | Very low | 31.6 | Very low | 86 Ų | 86 | 133 Ų | 133 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | | | cis | 178.6 | 144.4 | -21.4 | 45.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 630 | D | 30.1 | Very low | 31.7 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | | | trans | 53.8 | 111.7 | 159.9 | -63.6 | -62.9 | 0 | 0 | 0 | 120.6 | | |
| 631 | T | 35.9 | Very low | 31.5 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | | -175.7 | 121.2 | 107.3 | 24.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 632 | K | 32.5 | Very low | 31.5 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | | | | 57.4 | 120.7 | 76.7 | -65.8 | 179.1 | -177.1 | 172 | 0 | 111.4 | | |
| 633 | N | 31.5 | Very low | 31.5 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | cis | -147.9 | 165 | 37.5 | -90.9 | -38.6 | 0 | 0 | 0 | 114.9 | | |
| 634 | V | 28.2 | Very low | 31.3 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -97.8 | 131.4 | 163.5 | 173.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 635 | N | 33.2 | Very low | 31.2 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | 173.4 | 150.1 | 166 | -95.8 | -21.2 | 0 | 0 | 0 | 108.2 | | |
| 636 | L | 32.7 | Very low | 31 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 71% | 0.707 | 74% | 0.739 | S | S | * | * | | | cis | -163.4 | 136.2 | -11.3 | -172.1 | 72.8 | 0 | 0 | 0 | 109 | | |
| 637 | F | 30.4 | Very low | 30.7 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | 54.9 | 123.6 | 153.6 | -86.6 | -120.6 | 0 | 0 | 0 | 124.2 | | |
| 638 | T | 31.5 | Very low | 30.8 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | 52.5 | 122.3 | 132.1 | 63.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 639 | G | 27.8 | Very low | 30.6 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | | | | 116.4 | 161.5 | 99.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 640 | I | 31.8 | Very low | 30.5 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | | | trans | 70.9 | 116.8 | 170.8 | -53.3 | 166.9 | 0 | 0 | 0 | 113.2 | | |
| 641 | N | 26.4 | Very low | 30.5 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | cis | 104.2 | 157.8 | 32.5 | -170.4 | 31.9 | 0 | 0 | 0 | 112.5 | | |
| 642 | I | 33.7 | Very low | 30.2 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 68% | 0.677 | 72% | 0.723 | S | S | * | * | | | trans | 91.9 | 97.1 | 166.4 | -50.8 | -179.5 | 0 | 0 | 0 | 117.8 | | |
| 643 | N | 30.7 | Very low | 30 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | | | | 47.1 | 139.6 | 123.3 | -73.4 | 44.3 | 0 | 0 | 0 | 126.2 | | |
| 644 | D | 31.5 | Very low | 30 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | | | | 104.2 | 129 | 121.8 | -91.2 | -48.1 | 0 | 0 | 0 | 125.4 | | |
| 645 | S | 31.2 | Very low | 30 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | | | trans | 74 | 101.3 | 139.4 | 70.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 646 | T | 29.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 119 Ų | 119 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | | | | 50.7 | 131.7 | 125.4 | 58.9 | 0 | 0 | 0 | 0 | 124 | | |
| 647 | C | 25.7 | Very low | 30.2 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | | | trans | 89.5 | 116.6 | 139.2 | -72.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 648 | K | 30.3 | Very low | 30.2 | Very low | 157 Ų | 157 | 118.6 Ų | 118.6 | 68% | 0.683 | 67% | 0.668 | S | S | * | * | | | trans | 69.3 | 115 | 140.4 | -84.5 | -179.9 | 161.3 | -78 | 0 | 121.9 | | |
| 649 | E | 27.4 | Very low | 30 | Very low | 139 Ų | 139 | 118.8 Ų | 118.8 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | | | | 78 | 130.1 | 125 | -73.4 | 160.4 | -174.7 | 0 | 0 | 122.2 | | |
| 650 | T | 28.8 | Very low | 30.2 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | | | trans | 53.6 | 93.3 | 151.2 | 50 | 0 | 0 | 0 | 0 | 117.9 | | |
| 651 | S | 29.1 | Very low | 30.1 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | | | | 75.5 | 121.4 | 82.2 | 70.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 652 | T | 30 | Very low | 30.5 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | | | trans | 178.8 | 133.2 | 161.6 | 17.3 | 0 | 0 | 0 | 0 | 110.4 | K1507 | T652-K1507 VanDerWaalsContact O-CE 3.23Å; T652-K1507 WeakPolarHBondContact O-CE 3.36Å; T652-K1507 PolarHBondContact O-NZ 3.05Å; T652-K1507 VanDerWaalsContact OG1-CE 3.3Å; T652-K1507 WeakPolarHBondContact OG1-CE 3.08Å; T652-K1507 PolarHBondContact OG1-NZ 2.96Å |
| 653 | L | 29.1 | Very low | 30.4 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | | | | -148.3 | 152.6 | -56.9 | 71.9 | 160.5 | 0 | 0 | 0 | 106.9 | I1505 T1506 | L653-I1505 HydrophobicContact CD2-CG2 3.62Å; L653-I1505 HydrophobicContact CG-CB 4.46Å; L653-I1505 HydrophobicContact CG-CG2 3.92Å; L653-I1505 CarbonylContact O-C 3.48Å; L653-T1506 PolarHBondContact O-N 2.95Å; L653-T1506 VanDerWaalsContact O-N 3.15Å; L653-T1506 PolarHBondContact O-OG1 2.61Å; L653-T1506 VanDerWaalsContact O-OG1 3.11Å |
| 654 | E | 30.7 | Very low | 30.3 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 44% | 0.444 | 68% | 0.676 | S | S | . | * | | | trans | -135.5 | 157.5 | -170.3 | -151.9 | 78.8 | 131.5 | 0 | 0 | 112.9 | Q1504 T1506 | E654-Q1504 CarbonylContact C-O 3.34Å; E654-Q1504 VanDerWaalsContact CA-O 3.22Å; E654-Q1504 WeakPolarHBondContact CA-O 3.14Å; E654-Q1504 VanDerWaalsContact CD-CG 3.47Å; E654-Q1504 HydrophobicContact CG-CB 4.48Å; E654-Q1504 HydrophobicContact CG-CG 3.94Å; E654-Q1504 WeakPolarHBondContact OE1-CG 3.2Å; E654-Q1504 PolarHBondContact OE1-NE2 2.77Å; E654-Q1504 WeakPolarHBondContact OE2-CB 3.49Å; E654-T1506 PolarHBondContact OE1-OG1 3.03Å; E654-T1506 WeakPolarHBondContact OE2-CB 3.18Å; E654-T1506 PolarHBondContact OE2-N 3.19Å; E654-T1506 PolarHBondContact OE2-OG1 3.23Å |
| 655 | Q | 29.1 | Very low | 30.2 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 44% | 0.444 | 68% | 0.677 | S | S | . | * | | | trans | -141.8 | 163.6 | 175.3 | -74.6 | -165.8 | 19.9 | 0 | 0 | 111.5 | S1502 Q1504 I1505 | Q655-S1502 PolarHBondContact OE1-O 3.48Å; Q655-Q1504 PolarHBondContact N-O 2.79Å; Q655-I1505 HydrophobicContact CG-CD1 4.15Å |
| 656 | P | 39 | Very low | 30.1 | Very low | 75 Ų | 75 | 121.7 Ų | 121.7 | 49% | 0.487 | 68% | 0.682 | S | S | . | * | | | cis | -106 | -112.5 | -16.1 | 32.4 | -18.5 | 0 | 0 | 0 | 112.5 | V1503 | P656-V1503 HydrophobicContact CG-CG2 4.14Š|
| 657 | T | 31.5 | Very low | 30.2 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | | | cis | -142.4 | 152.6 | 11.1 | -47.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 658 | F | 29.8 | Very low | 30.4 | Very low | 183 Ų | 183 | 124.1 Ų | 124.1 | 80% | 0.803 | 69% | 0.685 | S | S | * | * | | | trans | -76.7 | 152.4 | 173.8 | -86.2 | -117.2 | 0 | 0 | 0 | 112.3 | | |
| 659 | N | 26.7 | Very low | 30.3 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | | | cis | -167.9 | -162.2 | -17.6 | -143.7 | -7.3 | 0 | 0 | 0 | 109.1 | | |
| 660 | V | 33.1 | Very low | 30.6 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | | | trans | 91.1 | 84.5 | 161.7 | -165.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 661 | V | 29.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 72% | 0.715 | 68% | 0.677 | S | S | * | * | | | | 44 | 111.6 | 121.2 | -176.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 662 | N | 34.8 | Very low | 31.2 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | | | | -155.6 | 127.3 | 116 | -111.6 | -22.3 | 0 | 0 | 0 | 113.1 | | |
| 663 | N | 31.8 | Very low | 31.4 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | | | trans | 55.3 | 73.5 | 150.9 | -54.4 | -20.2 | 0 | 0 | 0 | 120 | | |
| 664 | V | 27.6 | Very low | 31.5 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 95% | 0.952 | 71% | 0.711 | S | S | * | * | | | trans | -126.4 | 82.4 | 139.6 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 665 | A | 29.5 | Very low | 31.4 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | | | trans | -148 | 144.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 666 | E | 29.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | | | cis | -122.6 | 126 | 21.8 | -55.6 | 171.3 | 97 | 0 | 0 | 113.7 | A670 | E666-A670 WeakPolarHBondContact OE1-CB 3.49Š|
| 667 | V | 30.1 | Very low | 31.2 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -137.7 | 113.6 | 142.5 | 174.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 668 | I | 30.8 | Very low | 31.3 | Very low | 166 Ų | 166 | 136 Ų | 136 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 60.1 | 72.9 | 176.3 | -47.3 | 159.9 | 0 | 0 | 0 | 114.1 | | |
| 669 | N | 28.3 | Very low | 31.4 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | | -174.8 | 67.5 | 116.1 | -167.8 | 31.3 | 0 | 0 | 0 | 113.2 | | |
| 670 | A | 32.7 | Very low | 31.5 | Very low | 59 Ų | 59 | 138.9 Ų | 138.9 | 49% | 0.488 | 78% | 0.778 | S | S | . | * | | | trans | -126.5 | 29 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112 | E666 I672 | E666-A670 WeakPolarHBondContact OE1-CB 3.49Å; A670-I672 PolarHBondContact O-N 3.05Å |
| 671 | A | 35.1 | Very low | 31.5 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | trans | -66.9 | 131.6 | 159 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 672 | I | 36.5 | Very low | 31.5 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 79.8 | 101.6 | -176.4 | -49.9 | 173.5 | 0 | 0 | 0 | 114.1 | A670 | A670-I672 PolarHBondContact O-N 3.05Š|
| 673 | K | 33.8 | Very low | 31.1 | Very low | 197 Ų | 197 | 139 Ų | 139 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 65.2 | 107.1 | 174.5 | -61.1 | 178.9 | 179.1 | 179.1 | 0 | 115.4 | | |
| 674 | G | 31.4 | Very low | 31.1 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | S | Bend | cis | 179.4 | 174 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 675 | G | 29.1 | Very low | 31.1 | Very low | 78 Ų | 78 | 141.8 Ų | 141.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | cis | -135.1 | 165.9 | 12.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 676 | L | 29.6 | Very low | 30.9 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -88.8 | 127.9 | -165.1 | -70.2 | 76.1 | 0 | 0 | 0 | 113.7 | | |
| 677 | K | 34.4 | Very low | 30.9 | Very low | 213 Ų | 213 | 141.8 Ų | 141.8 | 93% | 0.926 | 78% | 0.777 | S | S | * | * | | | trans | -118.9 | 126.7 | 130.6 | -66.1 | 177.5 | -176.6 | 174.1 | 0 | 105 | | |
| 678 | Q | 32.8 | Very low | 30.6 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | S | Bend | cis | -159.9 | 123.3 | 18.9 | 173.4 | -179.9 | 2.5 | 0 | 0 | 111 | | |
| 679 | R | 31.3 | Very low | 30.4 | Very low | 220 Ų | 220 | 138.9 Ų | 138.9 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | | | trans | -176.9 | 133 | 131.7 | -104.1 | 174.2 | -155.9 | -144 | 5 | 112.6 | | |
| 680 | L | 30 | Very low | 30.3 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -80.6 | 123.8 | 152.8 | 179.2 | 69.1 | 0 | 0 | 0 | 107.5 | | |
| 681 | I | 31.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 62% | 0.621 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 72.7 | 143.2 | 159.6 | -68.1 | 169.3 | 0 | 0 | 0 | 119 | | |
| 682 | Q | 30.6 | Very low | 29.7 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | | | trans | -33.4 | 147.1 | 176.5 | -77 | 103.7 | -18.1 | 0 | 0 | 117.1 | | |
| 683 | S | 26.9 | Very low | 29.7 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | 73.2 | 103.6 | 52.9 | -51.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 684 | I | 31.3 | Very low | 29.5 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | -162 | 159.7 | 143.3 | -102.9 | 157.8 | 0 | 0 | 0 | 107.5 | | |
| 685 | E | 27.9 | Very low | 29.4 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -80 | 162.9 | -164.7 | -66.5 | 157.9 | 106.9 | 0 | 0 | 115.8 | | |
| 686 | V | 24.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -77.3 | 129.6 | 162.4 | 167.3 | 0 | 0 | 0 | 0 | 107.5 | V688 | V686-V688 HydrophobicContact CG1-CG2 4.12Š|
| 687 | P | 30.8 | Very low | 29.5 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | | -146.2 | 127.3 | 92 | 35.2 | -16.6 | 0 | 0 | 0 | 117.4 | | |
| 688 | V | 23.4 | Very low | 29.2 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | | 26.6 | 104 | 124.5 | -169.2 | 0 | 0 | 0 | 0 | 117.5 | V686 | V686-V688 HydrophobicContact CG1-CG2 4.12Š|
| 689 | S | 25.6 | Very low | 28.7 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | | -171.9 | 142 | 127.2 | -84.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 690 | S | 26.3 | Very low | 28.6 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | 53 | 119.4 | 148.8 | 59 | 0 | 0 | 0 | 0 | 123.2 | | |
| 691 | L | 29.2 | Very low | 28.6 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | 73.7 | 110 | 134.3 | -86.4 | 61.3 | 0 | 0 | 0 | 121.8 | | |
| 692 | F | 26.3 | Very low | 28.3 | Very low | 203 Ų | 203 | 136.6 Ų | 136.6 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | | 11.3 | 153.2 | 116.4 | -73 | -68.6 | 0 | 0 | 0 | 121 | | |
| 693 | P | 35.7 | Very low | 28.1 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | | -133.3 | 171.4 | -122.7 | 42.8 | -27.9 | 0 | 0 | 0 | 115.9 | | |
| 694 | N | 30.2 | Very low | 28.2 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 179 | 138.8 | 137.7 | -104 | -65.5 | 0 | 0 | 0 | 111.5 | | |
| 695 | P | 29.6 | Very low | 28.4 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -122 | 102.2 | 162.9 | 34.6 | -20.8 | 0 | 0 | 0 | 112.2 | | |
| 696 | A | 29.3 | Very low | 28.5 | Very low | 82 Ų | 82 | 128.9 Ų | 128.9 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | trans | -161.4 | 124.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 697 | Q | 30.7 | Very low | 28.9 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | 66.7 | 138.1 | 161.9 | -59.9 | 177.5 | -1.4 | 0 | 0 | 116.9 | | |
| 698 | C | 28.2 | Very low | 29 | Very low | 119 Ų | 119 | 126 Ų | 126 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | cis | -150.7 | 156.4 | -5 | -112.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 699 | L | 23.9 | Very low | 29.4 | Very low | 162 Ų | 162 | 124.2 Ų | 124.2 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | | | trans | -99.4 | 177.5 | 159.6 | -95.3 | 169.9 | 0 | 0 | 0 | 109.7 | | |
| 700 | T | 29.4 | Very low | 30 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | | | trans | 87.4 | 123.8 | -179.2 | -40.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 701 | A | 29 | Very low | 30.2 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | cis | -154.8 | 179.8 | -9.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 702 | L | 24.6 | Very low | 30.4 | Very low | 168 Ų | 168 | 123.4 Ų | 123.4 | 88% | 0.88 | 73% | 0.729 | S | S | * | * | | | trans | -126.2 | 167.8 | 177.5 | -179.2 | 140.8 | 0 | 0 | 0 | 110.3 | | |
| 703 | A | 27.7 | Very low | 30.8 | Very low | 75 Ų | 75 | 118.7 Ų | 118.7 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | | | trans | 94.4 | 135.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 704 | N | 29.1 | Very low | 30.6 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | cis | -147.1 | 158.8 | -0.1 | -97.1 | -27.6 | 0 | 0 | 0 | 110.5 | | |
| 705 | T | 35.1 | Very low | 30.6 | Very low | 145 Ų | 145 | 119.7 Ų | 119.7 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | | | | -172.2 | 162.8 | 103.8 | 24.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 706 | I | 30.7 | Very low | 30.5 | Very low | 93 Ų | 93 | 118.2 Ų | 118.2 | 48% | 0.477 | 70% | 0.702 | S | S | . | * | | | trans | -124.2 | 141.3 | -165.1 | -64 | 169.8 | 0 | 0 | 0 | 112.1 | Q728 I730 | I706-Q728 HydrophobicContact CG2-CG 4.02Å; I706-I730 HydrophobicContact CD1-CD1 3.94Å; I706-I730 HydrophobicContact CD1-CG1 3.94Å |
| 707 | S | 33 | Very low | 30.6 | Very low | 90 Ų | 90 | 117.5 Ų | 117.5 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | | | trans | -157.2 | 159.9 | 151.2 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 708 | S | 33.4 | Very low | 30.5 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | | | trans | 62.1 | 149 | 176 | 54 | 0 | 0 | 0 | 0 | 122.4 | N727 Q728 | S708-N727 WeakPolarHBondContact O-CB 3.35Å; S708-Q728 VanDerWaalsContact N-NE2 3.16Å; S708-Q728 PolarHBondContact O-NE2 2.91Å |
| 709 | L | 31.1 | Very low | 30.6 | Very low | 86 Ų | 86 | 108.6 Ų | 108.6 | 45% | 0.45 | 65% | 0.648 | S | S | . | * | | | trans | -174.6 | 161.7 | -161 | 173.6 | 67.5 | 0 | 0 | 0 | 106 | T711 N727 Q728 | L709-T711 HydrophobicContact CD1-CG2 3.95Å; L709-N727 WeakPolarHBondContact CD1-O 3.13Å; L709-Q728 HydrophobicContact CB-CB 4.07Å; L709-Q728 HydrophobicContact CB-CG 4.23Å; L709-Q728 HydrophobicContact CD1-CB 3.96Å; L709-Q728 HydrophobicContact CD2-CB 4.11Å; L709-Q728 HydrophobicContact CG-CB 4.27Å |
| 710 | P | 37.3 | Very low | 30.7 | Very low | 104 Ų | 104 | 107 Ų | 107 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | | | cis | -99.6 | -168.5 | 16 | 6 | 20.2 | 0 | 0 | 0 | 114.3 | | |
| 711 | T | 31.7 | Very low | 30.8 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 66% | 0.663 | 64% | 0.639 | S | S | * | * | | | cis | 77.3 | 138.7 | 28.1 | 88.9 | 0 | 0 | 0 | 0 | 116.4 | L709 | L709-T711 HydrophobicContact CD1-CG2 3.95Š|
| 712 | M | 33.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 112.3 Ų | 112.3 | 71% | 0.714 | 64% | 0.644 | S | S | * | * | | | cis | -148.1 | 167.7 | 35.9 | -73.1 | -74.6 | -79 | 0 | 0 | 115.8 | | |
| 713 | N | 34.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 109.5 Ų | 109.5 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | | | trans | -0.8 | 148.4 | 157.9 | -86.1 | 31 | 0 | 0 | 0 | 126.2 | | |
| 714 | E | 31.4 | Very low | 30.9 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | | | trans | 80.4 | 129.8 | 135.5 | -72.8 | 166.1 | 128 | 0 | 0 | 123.4 | | |
| 715 | T | 29.5 | Very low | 31.3 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | | | trans | -13.1 | 144.5 | 164.6 | 52.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 716 | V | 28.6 | Very low | 31.2 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | | | cis | -149.5 | 152.5 | 40.5 | -145.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 717 | V | 30.8 | Very low | 31.1 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | | | trans | 70.6 | 145.8 | 161.6 | -153.9 | 0 | 0 | 0 | 0 | 119.8 | S1584 | V717-S1584 WeakPolarHBondContact CB-O 3.21Å; V717-S1584 WeakPolarHBondContact CG1-OG 3.25Å; V717-S1584 WeakPolarHBondContact CG2-O 3.3Å |
| 718 | S | 27.6 | Very low | 30.9 | Very low | 65 Ų | 65 | 115 Ų | 115 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | | | trans | 5.3 | 128.5 | 165.4 | -60.5 | 0 | 0 | 0 | 0 | 118.7 | V1582 S1583 | S718-V1582 CarbonylContact C-O 3.59Å; S718-V1582 CarbonylContact O-C 3.36Å; S718-V1582 WeakPolarHBondContact O-CA 3.37Å; S718-S1583 WeakPolarHBondContact O-CA 3.44Å; S718-S1583 PolarHBondContact O-N 3.12Å; S718-S1583 VanDerWaalsContact O-N 3.17Å |
| 719 | S | 30.4 | Very low | 30.8 | Very low | 53 Ų | 53 | 116.3 Ų | 116.3 | 37% | 0.371 | 62% | 0.62 | S | S | . | * | | | cis | -168.2 | 163.2 | 26.1 | -123.7 | 0 | 0 | 0 | 0 | 114.1 | V1582 | S719-V1582 PolarHBondContact N-O 2.97Š|
| 720 | D | 27.1 | Very low | 30.8 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | | | trans | 35 | 91.7 | 143.3 | -43.5 | -43.3 | 0 | 0 | 0 | 116.3 | | |
| 721 | N | 31.6 | Very low | 30.3 | Very low | 154 Ų | 154 | 120 Ų | 120 | 82% | 0.824 | 63% | 0.633 | S | S | * | * | | | | -170.8 | 119.7 | 61.7 | -83.2 | -87.6 | 0 | 0 | 0 | 110.3 | S723 | N721-S723 PolarHBondContact O-N 3.17Š|
| 722 | Q | 24.1 | Very low | 30.1 | Very low | 197 Ų | 197 | 121 Ų | 121 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | | | trans | -78.1 | 118.5 | 168.9 | -85.1 | -178.2 | -38.8 | 0 | 0 | 111.2 | | |
| 723 | S | 30.8 | Very low | 30 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 76% | 0.755 | 64% | 0.642 | S | S | * | * | | | trans | -142.2 | 121.3 | 151.3 | 65.3 | 0 | 0 | 0 | 0 | 108.5 | N721 | N721-S723 PolarHBondContact O-N 3.17Š|
| 724 | D | 29 | Very low | 29.9 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | | | trans | -67 | 155.5 | -163.3 | -54 | -87.2 | 0 | 0 | 0 | 114.7 | | |
| 725 | K | 36 | Very low | 30 | Very low | 163 Ų | 163 | 121 Ų | 121 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | | | | -175.6 | 132 | 122.4 | -98.5 | 152.9 | -145.4 | 80.4 | 0 | 115.1 | | |
| 726 | R | 32.7 | Very low | 30.2 | Very low | 205 Ų | 205 | 119.9 Ų | 119.9 | 77% | 0.774 | 64% | 0.639 | S | S | * | * | | | trans | 75.1 | 150.7 | 143.6 | -65.5 | 171.5 | -177.2 | 159.4 | -1.5 | 117.4 | | |
| 727 | N | 30.5 | Very low | 30.5 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 43% | 0.428 | 64% | 0.64 | S | S | . | * | | | cis | -157 | 171.5 | -3.8 | -123.8 | -3.6 | 0 | 0 | 0 | 113.5 | S708 L709 | S708-N727 WeakPolarHBondContact O-CB 3.35Å; L709-N727 WeakPolarHBondContact CD1-O 3.13Å |
| 728 | Q | 28.8 | Very low | 30.6 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 35% | 0.346 | 65% | 0.65 | S | S | . | * | | | trans | 70.4 | 155.4 | 177.2 | -59.4 | -179.6 | 45.2 | 0 | 0 | 115.6 | I706 S708 L709 | I706-Q728 HydrophobicContact CG2-CG 4.02Å; S708-Q728 VanDerWaalsContact N-NE2 3.16Å; S708-Q728 PolarHBondContact O-NE2 2.91Å; L709-Q728 HydrophobicContact CB-CB 4.07Å; L709-Q728 HydrophobicContact CB-CG 4.23Å; L709-Q728 HydrophobicContact CD1-CB 3.96Å; L709-Q728 HydrophobicContact CD2-CB 4.11Å; L709-Q728 HydrophobicContact CG-CB 4.27Å |
| 729 | N | 30.8 | Very low | 30.7 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -124.4 | 96.1 | 1.2 | -153.6 | 8.2 | 0 | 0 | 0 | 113.1 | | |
| 730 | I | 30.7 | Very low | 30.6 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | | | trans | 61.5 | 79.8 | 157.8 | -53.2 | 167.2 | 0 | 0 | 0 | 116.4 | I706 | I706-I730 HydrophobicContact CD1-CD1 3.94Å; I706-I730 HydrophobicContact CD1-CG1 3.94Å |
| 731 | N | 26.5 | Very low | 31 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | | | | 70.8 | 78.3 | 118.9 | -162.9 | 57.5 | 0 | 0 | 0 | 119.3 | | |
| 732 | C | 27.3 | Very low | 31 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | | | | -160.4 | 99.8 | 123.8 | -108.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 733 | Q | 31.3 | Very low | 31.8 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | | | trans | -142.7 | 150.4 | 164.1 | -108.2 | -164.2 | -29.8 | 0 | 0 | 106.6 | E735 | Q733-E735 PolarHBondContact NE2-OE2 2.89Š|
| 734 | N | 32 | Very low | 32.1 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | | | cis | -116.2 | 171 | 6 | -79.1 | -51.1 | 0 | 0 | 0 | 109.6 | | |
| 735 | E | 34.2 | Very low | 32.6 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 54% | 0.537 | 66% | 0.664 | S | S | . | * | | | cis | 58.6 | 163.2 | 41.2 | -42.4 | -172 | 106.6 | 0 | 0 | 111.2 | Q733 Y737 | Q733-E735 PolarHBondContact NE2-OE2 2.89Å; E735-Y737 HydrophobicContact CG-CE2 4.49Å; E735-Y737 WeakPolarHBondContact OE1-CE2 3.46Å |
| 736 | S | 34 | Very low | 32.5 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | | | cis | -160.3 | 152.4 | 9.3 | -161.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 737 | Y | 34 | Very low | 32.5 | Very low | 153 Ų | 153 | 126 Ų | 126 | 60% | 0.6 | 65% | 0.652 | S | S | * | * | | | cis | -146.5 | 150.2 | -18.2 | -118.1 | -158.6 | 0 | 0 | 0 | 105.2 | E735 | E735-Y737 HydrophobicContact CG-CE2 4.49Å; E735-Y737 WeakPolarHBondContact OE1-CE2 3.46Å |
| 738 | T | 34 | Very low | 32.5 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | | | | 53 | 144.9 | 73.6 | 5.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 739 | N | 29.4 | Very low | 32.8 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | | | | -153.7 | 130.4 | 57.1 | -137.8 | -22.4 | 0 | 0 | 0 | 116.1 | | |
| 740 | T | 28.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | | | trans | -169.3 | 137.3 | 134.7 | -70.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 741 | I | 35 | Very low | 32.7 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | | | trans | 161.6 | 148.3 | 143.9 | -87.2 | 158.5 | 0 | 0 | 0 | 109 | | |
| 742 | N | 32.2 | Very low | 33 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | | | trans | -124.9 | 127 | 170.5 | -117.7 | -21.9 | 0 | 0 | 0 | 109.8 | | |
| 743 | I | 39.3 | Very low | 33.3 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 65% | 0.646 | 69% | 0.692 | S | S | * | * | | | | 58.5 | 129.8 | 127.3 | -74.4 | 179 | 0 | 0 | 0 | 118.2 | | |
| 744 | K | 38.9 | Very low | 33.3 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | | | cis | -167 | 176.8 | 2.1 | -98.5 | 171 | -162.5 | 169.9 | 0 | 106.5 | | |
| 745 | K | 39.6 | Very low | 33.3 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 67% | 0.665 | 69% | 0.694 | S | S | * | * | | | cis | 172.7 | 172.1 | -26.8 | -169.7 | -156.4 | 160.8 | -157.7 | 0 | 106.1 | | |
| 746 | E | 33.2 | Very low | 33.1 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | | | trans | 89.5 | 133.1 | 157 | -54.5 | -133.3 | 168.1 | 0 | 0 | 118 | | |
| 747 | L | 32.7 | Very low | 33.2 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 60% | 0.602 | 71% | 0.714 | S | S | * | * | | | cis | -158.4 | 137.7 | -5 | -156.9 | 56.6 | 0 | 0 | 0 | 116.3 | | |
| 748 | M | 31.3 | Very low | 33 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | | | trans | 73.2 | 143.1 | 146.7 | -86.6 | 168.9 | -175.6 | 0 | 0 | 126.2 | | |
| 749 | N | 33.5 | Very low | 33.1 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | | | trans | 73.2 | 86.2 | 156.4 | -62.3 | -12.5 | 0 | 0 | 0 | 118.1 | | |
| 750 | S | 30.7 | Very low | 33.1 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | | | | 83.8 | 131.2 | 70.2 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 751 | T | 30 | Very low | 33.4 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | | | cis | -136.3 | 144.9 | 25.2 | 47 | 0 | 0 | 0 | 0 | 114.9 | | |
| 752 | M | 31.7 | Very low | 33.2 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 85% | 0.852 | 71% | 0.713 | S | S | * | * | | | trans | 46.6 | 142.2 | 145.4 | -64.3 | -174 | 168.2 | 0 | 0 | 121.1 | | |
| 753 | T | 33.6 | Very low | 33.1 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | | | cis | 174.5 | 146.5 | -23.5 | 33.5 | 0 | 0 | 0 | 0 | 104.8 | | |
| 754 | N | 32.9 | Very low | 32.7 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | cis | -155.7 | 156.6 | -8.2 | -105.9 | 13.7 | 0 | 0 | 0 | 106 | | |
| 755 | S | 31.3 | Very low | 32.6 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | | | cis | 77.5 | 102 | 26.5 | -57.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 756 | L | 29.5 | Very low | 32.3 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | | | | -139.2 | 111.7 | 106.8 | -138.6 | 79.5 | 0 | 0 | 0 | 110.5 | | |
| 757 | Q | 35.3 | Very low | 32.3 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | | | trans | -94.7 | 166.8 | 166.4 | -155.7 | 88.2 | 5.2 | 0 | 0 | 108.1 | V759 | Q757-V759 HydrophobicContact CG-CG2 3.98Š|
| 758 | N | 30.5 | Very low | 32.4 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | | -169.9 | 133.5 | 117.8 | -94.4 | 4.3 | 0 | 0 | 0 | 110.1 | | |
| 759 | V | 35.7 | Very low | 32.6 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 60% | 0.6 | 74% | 0.737 | S | S | * | * | | | cis | 89.3 | 131.8 | 46.5 | 164.8 | 0 | 0 | 0 | 0 | 109.9 | Q757 | Q757-V759 HydrophobicContact CG-CG2 3.98Š|
| 760 | E | 30.2 | Very low | 32.7 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 64% | 0.64 | 74% | 0.739 | S | S | * | * | | | cis | -146.3 | 178.4 | 15.5 | -144.1 | 152.3 | -130 | 0 | 0 | 111.8 | I762 | E760-I762 HydrophobicContact CG-CG1 3.99Å; E760-I762 WeakPolarHBondContact OE2-CD1 3.28Å; E760-I762 VanDerWaalsContact OE2-CG1 3.29Å; E760-I762 WeakPolarHBondContact OE2-CG1 3.03Å |
| 761 | P | 34.8 | Very low | 32.9 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | | | | -144.2 | 177.8 | 90 | 38.4 | -20.8 | 0 | 0 | 0 | 115.7 | | |
| 762 | I | 31.2 | Very low | 33 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | | | trans | -116.3 | 144.6 | -158.2 | -49.6 | 165.4 | 0 | 0 | 0 | 112.3 | E760 | E760-I762 HydrophobicContact CG-CG1 3.99Å; E760-I762 WeakPolarHBondContact OE2-CD1 3.28Å; E760-I762 VanDerWaalsContact OE2-CG1 3.29Å; E760-I762 WeakPolarHBondContact OE2-CG1 3.03Å |
| 763 | T | 28.7 | Very low | 33.2 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | | | | 148.7 | 122.8 | 129.3 | -60 | 0 | 0 | 0 | 0 | 113.6 | | |
| 764 | L | 32.5 | Very low | 33.3 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | | | trans | -148 | 132.2 | 164 | -81.1 | 177.8 | 0 | 0 | 0 | 111.3 | | |
| 765 | T | 35.7 | Very low | 33.2 | Very low | 140 Ų | 140 | 132 Ų | 132 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | | | trans | -161.7 | 158 | 151.8 | 45.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 766 | S | 34.4 | Very low | 33.3 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | | | cis | -148.4 | 156.2 | 6.6 | -162 | 0 | 0 | 0 | 0 | 108.2 | | |
| 767 | G | 32.8 | Very low | 33.6 | Very low | 60 Ų | 60 | 132.3 Ų | 132.3 | 62% | 0.619 | 73% | 0.727 | S | S | * | * | | | cis | 171.5 | -176.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 768 | D | 35.3 | Very low | 33.2 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | trans | 61.7 | 138.6 | 147.6 | -65.8 | 8.4 | 0 | 0 | 0 | 121.4 | | |
| 769 | N | 33.6 | Very low | 33.2 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | | | cis | -157.9 | 154.5 | -5.3 | -123 | -48.8 | 0 | 0 | 0 | 112.7 | | |
| 770 | K | 35.9 | Very low | 33 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | | | trans | 3.8 | 151.5 | 151.4 | -66.7 | -179.6 | 172.7 | -172.7 | 0 | 120.8 | | |
| 771 | L | 35.4 | Very low | 33.1 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | cis | -168.5 | 176 | 2.2 | -118.9 | 171.2 | 0 | 0 | 0 | 112.2 | | |
| 772 | N | 33.2 | Very low | 32.8 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | | | trans | 87 | 112.4 | 151.7 | -107.7 | 66.2 | 0 | 0 | 0 | 122.3 | | |
| 773 | D | 34.6 | Very low | 32.6 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | trans | 62 | 104.1 | 137.5 | -60.8 | -1.7 | 0 | 0 | 0 | 123.6 | | |
| 774 | S | 36.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | | 101.1 | 128.3 | 119.2 | -68.8 | 0 | 0 | 0 | 0 | 122 | | |
| 775 | M | 31.7 | Very low | 32.2 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 89% | 0.887 | 74% | 0.737 | S | S | * | * | | | trans | 68.3 | 82.5 | 160.2 | -54.6 | -162.4 | 92.9 | 0 | 0 | 119.7 | | |
| 776 | N | 32.9 | Very low | 31.8 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | trans | 17.5 | 125.3 | 134.5 | -65.7 | -19.8 | 0 | 0 | 0 | 119.3 | | |
| 777 | K | 34.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 126 Ų | 126 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | | | | 62.4 | 125.1 | 66.6 | -65 | 176.1 | 177.9 | 175.4 | 0 | 112.3 | Q780 | K777-Q780 HydrophobicContact CD-CG 4.47Š|
| 778 | S | 28.2 | Very low | 31.1 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | S | Bend | cis | 58.1 | 101.6 | 12.9 | 66.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 779 | A | 30.4 | Very low | 30.7 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | | | trans | 46.1 | 86.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 780 | Q | 30.8 | Very low | 30.4 | Very low | 149 Ų | 149 | 132 Ų | 132 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | | | trans | -89.6 | 147.9 | 157.3 | -92.6 | 179.3 | -88.1 | 0 | 0 | 109.6 | K777 | K777-Q780 HydrophobicContact CD-CG 4.47Š|
| 781 | N | 31.1 | Very low | 30.1 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | cis | 58.4 | 116.2 | 20.2 | -91.3 | 3 | 0 | 0 | 0 | 116.3 | | |
| 782 | S | 28.7 | Very low | 30 | Very low | 87 Ų | 87 | 130 Ų | 130 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | cis | 178.5 | 168 | 0.4 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 783 | I | 27.1 | Very low | 29.8 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | | | trans | 78.7 | 108.9 | 158.1 | -62.9 | 155.1 | 0 | 0 | 0 | 119 | | |
| 784 | S | 26.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | | 50.9 | 117.3 | 129.6 | -50.3 | 0 | 0 | 0 | 0 | 125.6 | | |
| 785 | A | 27.3 | Very low | 29 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | | | | 93.3 | 131.3 | 115.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 786 | N | 26.9 | Very low | 29 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | 67.3 | 108.8 | 153.5 | -68.2 | -3.2 | 0 | 0 | 0 | 122.1 | | |
| 787 | A | 27.7 | Very low | 28.9 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | | | trans | 43.6 | 136.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 788 | L | 24.6 | Very low | 28.7 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | cis | -170 | 175.7 | 45.9 | -168.2 | 70.7 | 0 | 0 | 0 | 110.3 | | |
| 789 | I | 26.1 | Very low | 29.1 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | | | trans | 86.4 | 126.3 | 159.5 | -52.3 | -177 | 0 | 0 | 0 | 118.7 | | |
| 790 | N | 28.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | | | trans | 45.4 | 102.8 | 156.2 | -59.4 | -7.9 | 0 | 0 | 0 | 122.6 | | |
| 791 | L | 29.2 | Very low | 29.5 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | | | trans | -55.4 | 173.1 | 139.3 | -84.5 | 71.3 | 0 | 0 | 0 | 112.7 | | |
| 792 | P | 33.2 | Very low | 29.8 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | | | cis | -122.1 | 173.7 | -1.6 | 42.2 | -29.3 | 0 | 0 | 0 | 113.2 | | |
| 793 | P | 29.2 | Very low | 30.1 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | | | | -133.2 | 156.1 | 91.1 | 38.3 | -29.9 | 0 | 0 | 0 | 115.1 | | |
| 794 | T | 28.7 | Very low | 30.4 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | | | trans | 48.3 | 101.2 | 151.5 | 54.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 795 | S | 26.4 | Very low | 30.8 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | | | | 50.1 | 92.2 | 116.9 | 179.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 796 | S | 30.1 | Very low | 31 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | | | | -165.1 | 146.4 | 127.1 | 30.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 797 | H | 31.1 | Very low | 31.1 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 42% | 0.417 | 71% | 0.714 | S | S | . | * | | | trans | -80.2 | 142.3 | 176.6 | -94.4 | -135.9 | 0 | 0 | 0 | 111.7 | G446 N447 | G446-H797 WeakPolarHBondContact CA-NE2 3.43Å; G446-H797 PolarHBondContact O-CE1 3.02Å; G446-H797 PolarHBondContact O-NE2 3.04Å; N447-H797 HydrophobicContact CB-CB 4.45Å; N447-H797 PolarHBondContact OD1-CD2 3.3Å |
| 798 | I | 32 | Very low | 31.3 | Very low | 171 Ų | 171 | 126.3 Ų | 126.3 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | | | trans | -117.6 | 113.3 | 148.3 | -59 | 178 | 0 | 0 | 0 | 106 | | |
| 799 | V | 35.1 | Very low | 31.5 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 56% | 0.558 | 72% | 0.715 | S | S | * | * | | | trans | -79.1 | 146.6 | 173.9 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 800 | S | 37.4 | Very low | 31.6 | Very low | 89 Ų | 89 | 121 Ų | 121 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | | | trans | -69.8 | 149.7 | -167.3 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | A802 Q803 | S800-A802 PolarHBondContact O-N 2.83Å; S800-Q803 PolarHBondContact O-N 3.25Å |
| 801 | L | 33.7 | Very low | 31.6 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -60.7 | -9.2 | -170.8 | -168.4 | 57.2 | 0 | 0 | 0 | 115.1 | Q803 L804 | L801-Q803 VanDerWaalsContact C-N 3.27Å; L801-Q803 PolarHBondContact O-N 3.01Å; L801-L804 HydrophobicContact CD1-CB 4.02Å; L801-L804 HydrophobicContact CD1-CD2 3.85Å; L801-L804 PolarHBondContact O-N 2.81Å |
| 802 | A | 36.1 | Very low | 31.6 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -70 | -15.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S800 | S800-A802 PolarHBondContact O-N 2.83Š|
| 803 | Q | 35.1 | Very low | 31.6 | Very low | 140 Ų | 140 | 120.8 Ų | 120.8 | 65% | 0.654 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -102.1 | 1.6 | 174.9 | -74 | -177.9 | -35.7 | 0 | 0 | 114.1 | S800 L801 | S800-Q803 PolarHBondContact O-N 3.25Å; L801-Q803 VanDerWaalsContact C-N 3.27Å; L801-Q803 PolarHBondContact O-N 3.01Å |
| 804 | L | 34.4 | Very low | 31.7 | Very low | 112 Ų | 112 | 119.6 Ų | 119.6 | 59% | 0.586 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -91.3 | -12.6 | 176.1 | -153.1 | 68 | 0 | 0 | 0 | 113.4 | L801 A806 | L801-L804 HydrophobicContact CD1-CB 4.02Å; L801-L804 HydrophobicContact CD1-CD2 3.85Å; L801-L804 PolarHBondContact O-N 2.81Å; L804-A806 VanDerWaalsContact C-N 3.32Å; L804-A806 PolarHBondContact O-N 2.84Å |
| 805 | Q | 35.2 | Very low | 31.7 | Very low | 171 Ų | 171 | 120 Ų | 120 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -82.1 | -6.1 | 178.7 | -154.2 | 70.6 | 12.5 | 0 | 0 | 113.5 | | |
| 806 | A | 30.9 | Very low | 31.9 | Very low | 76 Ų | 76 | 120.1 Ų | 120.1 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -112.4 | -3.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | L804 | L804-A806 VanDerWaalsContact C-N 3.32Å; L804-A806 PolarHBondContact O-N 2.84Å |
| 807 | I | 29.2 | Very low | 31.8 | Very low | 144 Ų | 144 | 122 Ų | 122 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -121.8 | 6.4 | -174.4 | -51.8 | -177.8 | 0 | 0 | 0 | 111.8 | | |
| 808 | M | 30.8 | Very low | 31.6 | Very low | 172 Ų | 172 | 122.4 Ų | 122.4 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -111.8 | 14.9 | 177.7 | -76.4 | -82.4 | -79.3 | 0 | 0 | 113.6 | | |
| 809 | A | 29.3 | Very low | 31.4 | Very low | 93 Ų | 93 | 119.2 Ų | 119.2 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -136.7 | 18.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 810 | A | 27.8 | Very low | 31.1 | Very low | 88 Ų | 88 | 118 Ų | 118 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -152.3 | 37.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 811 | L | 29.2 | Very low | 30.7 | Very low | 168 Ų | 168 | 118.9 Ų | 118.9 | 88% | 0.88 | 73% | 0.727 | S | S | * | * | | | trans | -155 | 77.1 | 155.1 | -167 | 56.4 | 0 | 0 | 0 | 113.1 | | |
| 812 | A | 27.9 | Very low | 30.8 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -145.7 | 46.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 813 | N | 35.1 | Very low | 30.4 | Very low | 163 Ų | 163 | 117.3 Ų | 117.3 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -167.3 | 155.3 | 145.2 | -98.9 | -33.7 | 0 | 0 | 0 | 111.7 | | |
| 814 | A | 29.3 | Very low | 30.1 | Very low | 90 Ų | 90 | 117 Ų | 117 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | | | trans | -78.6 | 140.5 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 815 | S | 29.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 118 Ų | 118 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | | | trans | -160 | 102 | 142.4 | -80.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 816 | S | 30 | Very low | 29.5 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | | | trans | -107.1 | 122.8 | -171.8 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 817 | V | 27.7 | Very low | 29.6 | Very low | 151 Ų | 151 | 117 Ų | 117 | 92% | 0.915 | 74% | 0.742 | S | S | * | * | | | trans | -124.5 | 137.8 | 155.1 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 818 | S | 28.4 | Very low | 29.7 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | trans | -95.2 | 144.4 | -160 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 819 | I | 27.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 113.1 Ų | 113.1 | 53% | 0.533 | 74% | 0.74 | S | S | . | * | | | trans | -113 | 108.4 | 153.5 | -62.7 | 178.8 | 0 | 0 | 0 | 107 | P398 T399 L400 | P398-I819 HydrophobicContact CB-CD1 4.09Å; P398-I819 HydrophobicContact CG-CD1 3.62Å; P398-I819 HydrophobicContact CG-CG1 3.75Å; P398-I819 HydrophobicContact CG-CG2 4.26Å; T399-I819 HydrophobicContact CG2-CG2 4.13Å; L400-I819 HydrophobicContact CB-CG2 4.45Å; L400-I819 HydrophobicContact CD1-CG2 4.41Å |
| 820 | S | 28.7 | Very low | 29.8 | Very low | 67 Ų | 67 | 114 Ų | 114 | 47% | 0.469 | 74% | 0.74 | S | S | . | * | | | trans | -71.9 | 170.6 | 165.9 | -47.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 821 | L | 28.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 117.6 Ų | 117.6 | 57% | 0.565 | 75% | 0.746 | S | S | * | * | | | cis | -136.1 | -159 | 17.9 | -65.3 | 84.5 | 0 | 0 | 0 | 110.7 | T399 L400 | T399-L821 HydrophobicContact CG2-CD1 4.28Å; L400-L821 WeakPolarHBondContact O-CD1 3.47Å |
| 822 | P | 34.6 | Very low | 29.9 | Very low | 79 Ų | 79 | 114.4 Ų | 114.4 | 51% | 0.513 | 74% | 0.738 | S | S | . | * | | | | -107.5 | -164.5 | -83.6 | 28.5 | -7.9 | 0 | 0 | 0 | 111 | | |
| 823 | V | 29.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 118.2 Ų | 118.2 | 62% | 0.624 | 75% | 0.745 | S | S | * | * | | | cis | -154.8 | 159.1 | 20.4 | -139.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 824 | N | 28.3 | Very low | 29.9 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | 50.4 | 118.3 | 151.1 | -74.5 | -5.5 | 0 | 0 | 0 | 121.6 | | |
| 825 | S | 30 | Very low | 30.6 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 92% | 0.923 | 75% | 0.747 | S | S | * | * | | | | -146.4 | 139.2 | 124 | -81.3 | 0 | 0 | 0 | 0 | 110 | | |
| 826 | T | 27.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | trans | -112.1 | 126.6 | -168.1 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 827 | A | 32.5 | Very low | 30.4 | Very low | 98 Ų | 98 | 115.5 Ų | 115.5 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | trans | -161 | 154.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 828 | S | 30.3 | Very low | 30.4 | Very low | 101 Ų | 101 | 113.5 Ų | 113.5 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | cis | 174.6 | 125.2 | -36.3 | -99 | 0 | 0 | 0 | 0 | 107.3 | | |
| 829 | T | 29.3 | Very low | 30.7 | Very low | 135 Ų | 135 | 113 Ų | 113 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | | | trans | 58.1 | 97.6 | 151.7 | 58.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 830 | S | 32.9 | Very low | 31 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | | -154.4 | 123.9 | 123.8 | 50 | 0 | 0 | 0 | 0 | 107.2 | | |
| 831 | L | 29.6 | Very low | 31.4 | Very low | 164 Ų | 164 | 117 Ų | 117 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | | | | 58.2 | 119.3 | 67.3 | -59.6 | 178.8 | 0 | 0 | 0 | 112.2 | | |
| 832 | S | 30 | Very low | 31.5 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | cis | -162.5 | 153.3 | -1.1 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 833 | L | 29.2 | Very low | 31.4 | Very low | 172 Ų | 172 | 117.3 Ų | 117.3 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | | | trans | 26.3 | 126.3 | 152.8 | -80.4 | 64.4 | 0 | 0 | 0 | 120.3 | | |
| 834 | A | 34.3 | Very low | 31.4 | Very low | 98 Ų | 98 | 119.5 Ų | 119.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -102.5 | 157.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 835 | P | 44.6 | Very low | 31.6 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -112.7 | 154 | 151.6 | 35.6 | -26 | 0 | 0 | 0 | 111.5 | | |
| 836 | A | 27.8 | Very low | 31.7 | Very low | 91 Ų | 91 | 116.8 Ų | 116.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -129.9 | -167.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 837 | C | 27.3 | Very low | 31.8 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | 95.8 | 144.2 | 165.7 | -59.5 | 0 | 0 | 0 | 0 | 117 | | |
| 838 | S | 28.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | cis | -173.2 | -175.6 | -11.2 | -105.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 839 | A | 33.7 | Very low | 32 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 90.4 | 138.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 840 | T | 34.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 118 Ų | 118 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | cis | -161.9 | 160.5 | -5 | 6.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 841 | V | 35.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | cis | -151 | 169.5 | 12 | -101.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 842 | S | 32 | Very low | 31.8 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | cis | -176.3 | 172.1 | -7.7 | -99.8 | 0 | 0 | 0 | 0 | 105.9 | | |
| 843 | S | 31.8 | Very low | 31.7 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | | | cis | -175.7 | 173.7 | -26.3 | 61.5 | 0 | 0 | 0 | 0 | 105.5 | | |
| 844 | L | 30.6 | Very low | 31.7 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | cis | -130.7 | -172 | 6.8 | -58 | 82.4 | 0 | 0 | 0 | 109.9 | | |
| 845 | S | 31.4 | Very low | 31.5 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | 24.6 | 136.5 | 144.7 | 61.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 846 | S | 33.2 | Very low | 30.8 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | cis | -173.5 | 143.9 | -8.2 | 45.5 | 0 | 0 | 0 | 0 | 112 | | |
| 847 | S | 29.2 | Very low | 31.3 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | | 10.4 | 142.4 | 125.8 | -53.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 848 | N | 30.6 | Very low | 31.7 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | cis | -160.1 | 161.8 | 17.2 | -99.6 | -20 | 0 | 0 | 0 | 110.8 | | |
| 849 | P | 36.8 | Very low | 32.1 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | trans | -130.7 | 130.7 | 140.1 | 36 | -24.9 | 0 | 0 | 0 | 112.8 | | |
| 850 | S | 30.1 | Very low | 32.5 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | trans | -162.9 | 147.6 | 168.8 | -80 | 0 | 0 | 0 | 0 | 111.2 | | |
| 851 | I | 28.4 | Very low | 32.5 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | | | trans | -103.1 | 130.7 | 178 | -67.4 | 173.8 | 0 | 0 | 0 | 109.7 | | |
| 852 | Q | 28.3 | Very low | 32.4 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | trans | -162.2 | 122 | 147.7 | -113.2 | 172.5 | 23.6 | 0 | 0 | 113.1 | | |
| 853 | Q | 27.1 | Very low | 32.5 | Very low | 169 Ų | 169 | 127 Ų | 127 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | | 62.7 | 145.3 | 126.7 | -150.5 | 167.1 | 4 | 0 | 0 | 122.4 | | |
| 854 | L | 29 | Very low | 32.5 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | 93.5 | 91.3 | 151.7 | -151.2 | 70.4 | 0 | 0 | 0 | 121.2 | | |
| 855 | V | 31 | Very low | 32.6 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | | 29.7 | 134.1 | 123.3 | -177.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 856 | N | 29.2 | Very low | 32.7 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | 77.9 | 153.7 | 158.5 | -84.5 | -7.7 | 0 | 0 | 0 | 120 | | |
| 857 | P | 40.1 | Very low | 32.8 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | cis | -140.4 | 180 | -24.8 | 39.7 | -21.9 | 0 | 0 | 0 | 116 | | |
| 858 | S | 34.6 | Very low | 33 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | 71.5 | 99.4 | 149.1 | -59.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 859 | T | 37.6 | Very low | 33.1 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | | 45.8 | 154 | 121.7 | 59.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 860 | P | 41.4 | Very low | 32.7 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -132.6 | 155.1 | 4.4 | 38.8 | -22.4 | 0 | 0 | 0 | 116.8 | | |
| 861 | S | 34.6 | Very low | 32.7 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | | 154.3 | 121.2 | 117.2 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 862 | I | 34.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | 51.1 | 109.8 | 138.3 | -51.6 | 172.3 | 0 | 0 | 0 | 116.7 | | |
| 863 | S | 33.1 | Very low | 32.9 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | cis | -155.5 | 153.9 | 14.6 | -93.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 864 | S | 31.9 | Very low | 33.3 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | 57.9 | 103.6 | 156.7 | 51.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 865 | S | 32.8 | Very low | 33.4 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | | | trans | -98.3 | -166.4 | 162.2 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 866 | G | 32.9 | Very low | 33.3 | Very low | 68 Ų | 68 | 119.2 Ų | 119.2 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | cis | -177.3 | -156.1 | 14.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 867 | T | 35.6 | Very low | 33.5 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | | | trans | -126.2 | 147.1 | -154.9 | 52.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 868 | N | 33.7 | Very low | 33.2 | Very low | 148 Ų | 148 | 118.7 Ų | 118.7 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | 39.4 | 118.5 | 147.9 | -75.3 | -19.3 | 0 | 0 | 0 | 123.8 | | |
| 869 | V | 33.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | | 58.8 | 111 | 125.7 | -176.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 870 | L | 29.1 | Very low | 33 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | | -177.9 | 156.8 | 70.3 | -160.6 | 74.2 | 0 | 0 | 0 | 112.4 | | |
| 871 | I | 29.1 | Very low | 32.7 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | trans | 61.2 | 130.6 | 167.3 | -27.6 | -176.5 | 0 | 0 | 0 | 120 | | |
| 872 | N | 28.1 | Very low | 32.6 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | 115.2 | 139.5 | 133.2 | -140.3 | 19 | 0 | 0 | 0 | 119.4 | | |
| 873 | T | 33.7 | Very low | 32.7 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | | | trans | 46.1 | 127.3 | 153.9 | 43.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 874 | S | 33.7 | Very low | 32.7 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | 64.9 | 148.6 | 161 | 24.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 875 | G | 31.1 | Very low | 33 | Very low | 57 Ų | 57 | 116.4 Ų | 116.4 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | | | cis | 91.2 | 114 | 41 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 876 | S | 29.7 | Very low | 33.1 | Very low | 119 Ų | 119 | 116 Ų | 116 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | | | | 55.8 | 113.8 | 84.8 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 877 | S | 32.9 | Very low | 33.2 | Very low | 90 Ų | 90 | 117.5 Ų | 117.5 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | | | cis | 167.9 | 170.9 | 30.7 | 52.3 | 0 | 0 | 0 | 0 | 111 | | |
| 878 | L | 33.6 | Very low | 33.1 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | trans | 68.2 | 159.5 | 151.1 | -65.2 | 160.8 | 0 | 0 | 0 | 115.9 | | |
| 879 | N | 32.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | cis | -155.8 | 162.9 | 4.1 | -139.7 | -9.3 | 0 | 0 | 0 | 115.3 | | |
| 880 | V | 36 | Very low | 33.2 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | | | trans | 43.4 | 132.5 | 132.6 | 146.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 881 | T | 35.2 | Very low | 33.1 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | | | cis | -160 | 163.2 | 19.4 | 2.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 882 | G | 33.5 | Very low | 33.3 | Very low | 65 Ų | 65 | 116.7 Ų | 116.7 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | | | cis | 163.4 | -178.3 | -0 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 883 | S | 34.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 115.7 Ų | 115.7 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | | | trans | 71.5 | 139.8 | 179 | -96 | 0 | 0 | 0 | 0 | 117.7 | | |
| 884 | V | 34.3 | Very low | 33.5 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | cis | -162.6 | 147.5 | -11.6 | 92.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 885 | T | 37 | Very low | 33.4 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | 58.7 | 145.6 | 164.9 | 58.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 886 | T | 36.2 | Very low | 33.8 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | | | cis | -161.1 | 147 | -5.7 | 11.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 887 | S | 33.9 | Very low | 33.9 | Very low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | 60 | 138.4 | 154.8 | -57.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 888 | E | 33.2 | Very low | 33.7 | Very low | 186 Ų | 186 | 125.5 Ų | 125.5 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | cis | -148.6 | 172.6 | -3.7 | -132.1 | 167.3 | 158.4 | 0 | 0 | 112.8 | | |
| 889 | A | 34.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -68.8 | 161.6 | -160.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 890 | G | 34.2 | Very low | 33.5 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | cis | 146.2 | 114.9 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 891 | N | 27.6 | Very low | 33.3 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -100.2 | 146.4 | 163.2 | -79.7 | -22.5 | 0 | 0 | 0 | 109.7 | | |
| 892 | T | 32.3 | Very low | 33.2 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 96% | 0.957 | 79% | 0.787 | S | S | * | * | | | trans | -170.1 | 161 | 155.2 | 4.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 893 | S | 36.5 | Very low | 33.2 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | -140.7 | 134.7 | -171.9 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 894 | L | 31.1 | Very low | 33.1 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -149.3 | 172 | 173.4 | -84.5 | -177.5 | 0 | 0 | 0 | 112.5 | | |
| 895 | I | 31.6 | Very low | 33.2 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -150.7 | 156.1 | -156.1 | -80 | 168.9 | 0 | 0 | 0 | 107.9 | | |
| 896 | P | 38.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | cis | -130.5 | 172.9 | 7.7 | 40.4 | -25.2 | 0 | 0 | 0 | 117.3 | | |
| 897 | G | 31.7 | Very low | 33 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | 93 | 140.7 | 130.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 898 | L | 29.1 | Very low | 33.2 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 59.9 | 110.8 | 172.9 | -60.8 | 170.3 | 0 | 0 | 0 | 115.7 | | |
| 899 | N | 30.2 | Very low | 33.4 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | | 68.2 | 114.8 | 75.6 | -74.7 | -11.5 | 0 | 0 | 0 | 115.9 | | |
| 900 | N | 31.4 | Very low | 33.6 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 79.4 | 111.6 | 156.9 | -73.3 | -17.7 | 0 | 0 | 0 | 122.3 | | |
| 901 | L | 32.1 | Very low | 33.7 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | | 69 | 148.5 | 127.3 | -53.7 | 171.6 | 0 | 0 | 0 | 117.9 | | |
| 902 | T | 33.8 | Very low | 34.1 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | | | cis | -161.6 | 150.8 | 6 | -7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 903 | S | 32.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | 62.3 | 162.5 | 156.8 | -93.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 904 | V | 33.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | cis | -147.6 | 157.1 | 2.4 | -114.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 905 | C | 35.6 | Very low | 34.6 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | cis | -159.9 | 153.5 | -8.6 | -162.3 | 0 | 0 | 0 | 0 | 110 | | |
| 906 | G | 35.1 | Very low | 34.4 | Very low | 63 Ų | 63 | 122.1 Ų | 122.1 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | 89.1 | 143.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 907 | F | 34.8 | Very low | 34 | Very low | 180 Ų | 180 | 123.1 Ų | 123.1 | 79% | 0.789 | 75% | 0.748 | S | S | * | * | | | cis | -147.9 | 117.9 | -9.7 | -130.8 | -104.6 | 0 | 0 | 0 | 109.4 | | |
| 908 | T | 36.3 | Very low | 33.8 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 64% | 0.638 | 75% | 0.746 | S | S | * | * | | | trans | 63.2 | 151.7 | 137.3 | 61 | 0 | 0 | 0 | 0 | 121.3 | | |
| 909 | L | 38.1 | Very low | 33.7 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 71% | 0.707 | 74% | 0.738 | S | S | * | * | | | cis | -157.9 | 146.3 | 0.8 | -121.5 | 159.5 | 0 | 0 | 0 | 109.1 | | |
| 910 | T | 40.1 | Very low | 33.6 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | | | trans | 56.1 | 145.3 | 159.4 | 42.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 911 | G | 36.6 | Very low | 33.5 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | | | cis | -170.5 | 152.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 912 | P | 35.1 | Very low | 33.2 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | | | trans | -103.1 | 173.2 | -159.6 | 39.5 | -37 | 0 | 0 | 0 | 115.7 | | |
| 913 | S | 27.9 | Very low | 33 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 87 | 140.1 | 154 | 76.9 | 0 | 0 | 0 | 0 | 119.7 | F915 | S913-F915 PolarHBondContact O-N 2.58Š|
| 914 | S | 35.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 62.5 | 0.6 | 157.6 | -51.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 915 | F | 45.5 | Very low | 33.1 | Very low | 181 Ų | 181 | 124.7 Ų | 124.7 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | | | trans | -148.6 | 168.9 | -174.2 | -69.2 | -92.5 | 0 | 0 | 0 | 112.3 | S913 | S913-F915 PolarHBondContact O-N 2.58Š|
| 916 | V | 28.6 | Very low | 33 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | | | trans | 77.3 | 136.6 | 160.4 | -165 | 0 | 0 | 0 | 0 | 117.7 | | |
| 917 | N | 28.9 | Very low | 32.9 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | | | trans | 58.8 | 136.5 | 161.7 | -75.5 | 6.6 | 0 | 0 | 0 | 120.2 | | |
| 918 | N | 27.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | | | cis | 72.5 | 110.3 | 9.6 | -150 | 17.1 | 0 | 0 | 0 | 117.4 | | |
| 919 | N | 26.9 | Very low | 32.6 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | trans | 79.4 | 165.7 | 144.6 | -127.1 | -8.2 | 0 | 0 | 0 | 121.1 | | |
| 920 | I | 29.7 | Very low | 32.2 | Very low | 128 Ų | 128 | 123 Ų | 123 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | | | trans | 72.3 | 108.5 | 156.6 | -72 | 161 | 0 | 0 | 0 | 115.5 | | |
| 921 | T | 28.3 | Very low | 31.9 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | | | | 57.6 | 138.1 | 69.3 | 74.6 | 0 | 0 | 0 | 0 | 113 | | |
| 922 | T | 27.2 | Very low | 31.7 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 63% | 0.632 | 72% | 0.721 | S | S | * | * | | | | 169.4 | -177.8 | 73.5 | -42.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 923 | Y | 28.7 | Very low | 31.2 | Very low | 209 Ų | 209 | 126.1 Ų | 126.1 | 82% | 0.82 | 72% | 0.721 | S | S | * | * | | | trans | 129.4 | 101.4 | 151.6 | -75.6 | -75.5 | 0 | 0 | 0 | 111.6 | | |
| 924 | N | 28.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | | | cis | 76.3 | 125.8 | 44.8 | -162.4 | 18.2 | 0 | 0 | 0 | 112 | S926 | N924-S926 PolarHBondContact OD1-N 2.8Š|
| 925 | P | 40.7 | Very low | 31.1 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | | | | -145.8 | 127.5 | 101.3 | 36.2 | -19.6 | 0 | 0 | 0 | 116.6 | | |
| 926 | S | 33.3 | Very low | 30.4 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | | | trans | -159.6 | 114.9 | 142 | -73.3 | 0 | 0 | 0 | 0 | 107 | N924 | N924-S926 PolarHBondContact OD1-N 2.8Š|
| 927 | M | 32.8 | Very low | 30.3 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | | | | 61.3 | 129.9 | 65.7 | -62.5 | -65.3 | 105.7 | 0 | 0 | 113 | | |
| 928 | S | 30.6 | Very low | 30.6 | Very low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | | | cis | -169.8 | 147.8 | -13.5 | -168.2 | 0 | 0 | 0 | 0 | 110 | | |
| 929 | A | 32.9 | Very low | 31.1 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | | | trans | 64 | 173.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 930 | N | 30.7 | Very low | 31.5 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | | | cis | -161.8 | 150.1 | -21.7 | -130.9 | -13.7 | 0 | 0 | 0 | 110.3 | | |
| 931 | F | 33 | Very low | 31.7 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | | | trans | 56.7 | 171.9 | 166.8 | -54.3 | -61.3 | 0 | 0 | 0 | 115.5 | | |
| 932 | G | 32.5 | Very low | 31.8 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | cis | -159.3 | 147.9 | -4.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 933 | T | 25.3 | Very low | 31.9 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | | | trans | -56.4 | 179.8 | 163.5 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 934 | I | 33.2 | Very low | 32.6 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | | | trans | 96.4 | 139.9 | 166.3 | -56.4 | 161.4 | 0 | 0 | 0 | 114.1 | | |
| 935 | N | 28.1 | Very low | 32.8 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | | | cis | -171 | 174.1 | -32.9 | -158.4 | -2.9 | 0 | 0 | 0 | 107.7 | | |
| 936 | S | 31.3 | Very low | 32.3 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 54% | 0.538 | 74% | 0.736 | S | S | . | * | | | trans | 57 | 121.7 | 147.6 | -65.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 937 | N | 25.9 | Very low | 32.2 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | | 41 | 130.4 | 120.3 | -47.5 | -46 | 0 | 0 | 0 | 118.5 | | |
| 938 | I | 36.4 | Very low | 32.1 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | | -166.4 | 146.3 | 86.7 | -97.8 | 161.6 | 0 | 0 | 0 | 111.8 | | |
| 939 | K | 36.2 | Very low | 32.3 | Very low | 185 Ų | 185 | 127.3 Ų | 127.3 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | 13.5 | 134.9 | 155.7 | -49.9 | 166.9 | -171.6 | 175.4 | 0 | 118.6 | | |
| 940 | G | 36.5 | Very low | 32 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | cis | 130.7 | -174.9 | 5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 941 | I | 34.1 | Very low | 32.1 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | 64.8 | 97.2 | 164.2 | -50.4 | 175.9 | 0 | 0 | 0 | 114.3 | | |
| 942 | T | 30 | Very low | 32 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | | 78.3 | 94.5 | 66.6 | -58.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 943 | V | 29.6 | Very low | 31.9 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | 65.1 | 164.9 | 135.5 | 178.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 944 | P | 42.2 | Very low | 32.2 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | cis | -116.3 | -177.2 | -26.4 | 32.1 | -14.7 | 0 | 0 | 0 | 113.8 | | |
| 945 | S | 33 | Very low | 32.2 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | trans | 61.8 | 156.5 | 151.6 | 56.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 946 | G | 31.6 | Very low | 32.4 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | cis | 170.1 | 138.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 947 | E | 30.8 | Very low | 32.4 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | 65.3 | 155.8 | 165.1 | -50.5 | -167.6 | 142.6 | 0 | 0 | 120.2 | | |
| 948 | C | 31 | Very low | 32.7 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | 68 | 141.6 | 162.5 | -64.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 949 | I | 33.4 | Very low | 32.5 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | cis | -137.8 | 155.1 | 0.4 | -53.5 | 175 | 0 | 0 | 0 | 108.9 | | |
| 950 | S | 26.7 | Very low | 32.2 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -66.4 | 145.8 | 172.9 | 176.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 951 | L | 32.5 | Very low | 31.9 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -165.1 | 155.1 | 130.1 | -104.2 | 163.9 | 0 | 0 | 0 | 112.5 | | |
| 952 | T | 32.2 | Very low | 31.8 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -79.4 | 145.6 | -160.8 | 49.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 953 | G | 30.5 | Very low | 31.9 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 164.3 | 139.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 954 | I | 31.1 | Very low | 32.4 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | | | trans | 79.5 | 111.7 | 148.3 | -58 | 177.4 | 0 | 0 | 0 | 120.6 | | |
| 955 | L | 32.3 | Very low | 31.8 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | 25.1 | 135.3 | 142.4 | -69.3 | 109.3 | 0 | 0 | 0 | 124.2 | | |
| 956 | S | 32.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | 64.9 | 142.3 | 132.1 | -61.6 | 0 | 0 | 0 | 0 | 122 | | |
| 957 | G | 32.5 | Very low | 31.7 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | 161.9 | 109.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 958 | N | 30.9 | Very low | 32.1 | Very low | 159 Ų | 159 | 124.8 Ų | 124.8 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | | | trans | -74.6 | 157.1 | 158.5 | -69.2 | -14.8 | 0 | 0 | 0 | 109.6 | | |
| 959 | V | 32.1 | Very low | 31.9 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | | 174.7 | 159.5 | 111.6 | 153.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 960 | A | 29.8 | Very low | 31.7 | Very low | 79 Ų | 79 | 124.2 Ų | 124.2 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | | | trans | -62.7 | -174.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 961 | N | 30.8 | Very low | 32 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | | 178.3 | 169.7 | 54.5 | -146.6 | -7.2 | 0 | 0 | 0 | 112 | | |
| 962 | L | 33.3 | Very low | 31.7 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | trans | 69.5 | 147.4 | 149.8 | -75.4 | 166.8 | 0 | 0 | 0 | 117.7 | | |
| 963 | N | 30.6 | Very low | 31.7 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 60% | 0.604 | 75% | 0.751 | S | S | * | * | | | cis | -166.7 | 179.7 | -5.4 | -170.6 | 14 | 0 | 0 | 0 | 110.2 | | |
| 964 | I | 40.9 | Very low | 32 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | | | trans | 75.5 | 95.3 | 161.8 | -50 | 179.8 | 0 | 0 | 0 | 112.4 | | |
| 965 | N | 29.3 | Very low | 32.1 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | | | | 61.4 | 157.4 | 54.4 | -53.7 | -25.8 | 0 | 0 | 0 | 112.2 | | |
| 966 | N | 32.3 | Very low | 32.2 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | | | cis | -160.6 | 165.7 | 15.3 | -146.8 | 1.3 | 0 | 0 | 0 | 111.3 | | |
| 967 | N | 31.1 | Very low | 32.3 | Very low | 121 Ų | 121 | 126 Ų | 126 | 65% | 0.647 | 75% | 0.747 | S | S | * | * | | | trans | 65.6 | 167.7 | 159.9 | -52.1 | -29.6 | 0 | 0 | 0 | 115.2 | | |
| 968 | S | 37.9 | Very low | 32.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | cis | -136.4 | 136.5 | 8.5 | -51.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 969 | N | 28.2 | Very low | 32.6 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | trans | -8.5 | 126.5 | 139.4 | -43.8 | -27.9 | 0 | 0 | 0 | 115.2 | | |
| 970 | S | 28.5 | Very low | 32.5 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | trans | -91.8 | 117 | 143.9 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 971 | A | 32.9 | Very low | 33 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | trans | 43.6 | 99 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 972 | Q | 26.4 | Very low | 33.1 | Very low | 185 Ų | 185 | 125.8 Ų | 125.8 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -73.1 | 149.3 | 130.4 | -166.5 | 173.8 | 14 | 0 | 0 | 108 | | |
| 973 | L | 31.8 | Very low | 33.1 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 81.1 | 123.1 | -176.2 | -47.8 | 173.9 | 0 | 0 | 0 | 115.7 | | |
| 974 | G | 37.1 | Very low | 33.2 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 116.3 | 95.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 975 | H | 33.3 | Very low | 32.9 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 68.5 | 83.4 | 161.8 | -54 | -79.1 | 0 | 0 | 0 | 120.2 | | |
| 976 | T | 34.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | | 69.8 | 96.6 | 121.9 | -43.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 977 | V | 34.2 | Very low | 32.8 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | | | trans | 79.1 | 112.8 | 132.9 | 175.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 978 | V | 35.9 | Very low | 32.8 | Very low | 144 Ų | 144 | 133 Ų | 133 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | | | trans | 57 | 145 | 142.4 | 179.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 979 | G | 32.9 | Very low | 32.4 | Very low | 66 Ų | 66 | 131.7 Ų | 131.7 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | cis | 156.9 | 142 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 980 | N | 30.9 | Very low | 32.5 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | | | trans | 4.8 | 157.9 | 165.3 | -90 | -0.6 | 0 | 0 | 0 | 122.9 | | |
| 981 | P | 39.9 | Very low | 32.8 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | | | cis | -146.8 | -166 | -34.4 | 42.1 | -22.1 | 0 | 0 | 0 | 115 | | |
| 982 | A | 33.4 | Very low | 32.5 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | 85.5 | 162.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 983 | L | 33.2 | Very low | 33.1 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -114.6 | 137 | -152.1 | -66.2 | 162.3 | 0 | 0 | 0 | 115.2 | | |
| 984 | I | 33.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | | | | 18.1 | 129.8 | 113.8 | -63.1 | 168.6 | 0 | 0 | 0 | 115.7 | | |
| 985 | N | 32.9 | Very low | 32.8 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | cis | -161.2 | 168.4 | 0.1 | -119.5 | -0.4 | 0 | 0 | 0 | 111.6 | | |
| 986 | F | 27.4 | Very low | 32.6 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -77.2 | 166.9 | 161.8 | -69 | -108.8 | 0 | 0 | 0 | 110 | | |
| 987 | I | 32.7 | Very low | 32.5 | Very low | 158 Ų | 158 | 133 Ų | 133 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | | -165.2 | 125.2 | 50.9 | -70.6 | 172.8 | 0 | 0 | 0 | 105.7 | | |
| 988 | S | 30.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | | 97.2 | 110.9 | 71.4 | -153.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 989 | A | 30.8 | Very low | 32 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | | | trans | 44.5 | 123.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 990 | N | 29.1 | Very low | 31.8 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | | 176.7 | 162.3 | 95.8 | -103.2 | -63.2 | 0 | 0 | 0 | 117.8 | | |
| 991 | K | 34.4 | Very low | 31.6 | Very low | 209 Ų | 209 | 135.1 Ų | 135.1 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | 74.9 | 157.6 | 164.2 | -78 | -178.3 | 176.9 | 177.6 | 0 | 120.8 | | |
| 992 | S | 27.2 | Very low | 31.3 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -147.4 | -176.6 | -168.2 | -147.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 993 | P | 39.6 | Very low | 31 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | cis | -140.5 | -156.1 | 3.3 | 36.5 | -11.8 | 0 | 0 | 0 | 115.1 | | |
| 994 | V | 32.5 | Very low | 30.8 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | | | trans | 108.5 | 113.2 | 156.5 | -175 | 0 | 0 | 0 | 0 | 117.5 | | |
| 995 | Q | 29.8 | Very low | 30.4 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | 35.8 | 132.4 | 149.2 | -58.3 | 175.1 | 13.5 | 0 | 0 | 119.6 | | |
| 996 | S | 30.1 | Very low | 30.2 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | cis | -155.8 | 159.4 | 19.4 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 997 | S | 32.5 | Very low | 30.3 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | | 177.9 | 161 | 68.5 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 998 | V | 31.3 | Very low | 30.1 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 25.2 | 105.8 | 158 | -171.1 | 0 | 0 | 0 | 0 | 118.9 | L1000 | V998-L1000 HydrophobicContact CG1-CD2 4.18Å; V998-L1000 HydrophobicContact CG1-CG 4.06Å |
| 999 | T | 26.5 | Very low | 30.1 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 127.7 | 151.4 | 51 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1000 | L | 29.8 | Very low | 30.1 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 125.5 | 161.5 | -76.3 | -179.8 | 0 | 0 | 0 | 110.6 | V998 | V998-L1000 HydrophobicContact CG1-CD2 4.18Å; V998-L1000 HydrophobicContact CG1-CG 4.06Å |
| 1001 | S | 26.8 | Very low | 30.1 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 127.4 | 171.6 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1002 | S | 33.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | | | trans | -131.5 | 108 | 165 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | N1004 | S1002-N1004 PolarHBondContact O-N 3.08Š|
| 1003 | T | 26.6 | Very low | 30.2 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -54.6 | 117.3 | 157.6 | -53.6 | 0 | 0 | 0 | 0 | 109 | | |
| 1004 | N | 28.5 | Very low | 29.9 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | | | trans | 164.8 | 78.3 | 147.6 | -84.7 | -20.1 | 0 | 0 | 0 | 111.2 | S1002 | S1002-N1004 PolarHBondContact O-N 3.08Š|
| 1005 | A | 25.9 | Very low | 29.8 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | | | trans | -117.6 | 27.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1006 | T | 29.7 | Very low | 30 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -144.1 | 56.7 | 179.3 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1007 | R | 28 | Very low | 30.1 | Very low | 234 Ų | 234 | 138.6 Ų | 138.6 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | | | trans | -162.7 | 53.9 | 164.3 | -118.4 | 175.6 | -158.4 | -78 | 1.3 | 115.8 | | |
| 1008 | L | 28.7 | Very low | 30.1 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -147.5 | 72.7 | 164.9 | -100.7 | -178.9 | 0 | 0 | 0 | 111.6 | | |
| 1009 | L | 30.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -167.9 | 48.7 | 158.3 | -113.3 | -178.3 | 0 | 0 | 0 | 113.3 | L430 | L430-L1009 HydrophobicContact CD1-CD1 3.71Å; L430-L1009 HydrophobicContact CD1-CG 4.5Å |
| 1010 | T | 31.3 | Very low | 30.4 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | | | trans | -154.1 | 86.9 | 166.7 | -27.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1011 | N | 29.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -177.5 | 64.3 | 154 | -99.5 | -9.2 | 0 | 0 | 0 | 110.6 | | |
| 1012 | L | 29.8 | Very low | 30.3 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | | | trans | -153.4 | 81.9 | 159.8 | -168.1 | 65.1 | 0 | 0 | 0 | 111.6 | | |
| 1013 | A | 33.6 | Very low | 30.1 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | | | trans | -152.7 | 144.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1014 | T | 32.3 | Very low | 30.2 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | 59.7 | 88.5 | 177.3 | 66.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1015 | S | 30.6 | Very low | 30.3 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | trans | -152.9 | 106 | 130.4 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1016 | T | 33.5 | Very low | 30.6 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -109.5 | 64.8 | 177.8 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1017 | T | 33.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | -163 | 140 | 159.7 | 38.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1018 | G | 32.1 | Very low | 30.9 | Very low | 63 Ų | 63 | 135.3 Ų | 135.3 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | | | cis | 172.8 | 118.3 | -9.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1019 | T | 32 | Very low | 30.9 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | trans | 48.9 | 115.2 | 166.9 | 58.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1020 | N | 31.7 | Very low | 31 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | | 164 | 89.5 | 107.6 | -83.3 | -46.8 | 0 | 0 | 0 | 113.1 | | |
| 1021 | L | 27.4 | Very low | 31.1 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -143.4 | 89 | 152.3 | -80.4 | -176.4 | 0 | 0 | 0 | 108.6 | | |
| 1022 | L | 27.6 | Very low | 31.2 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | | | trans | 158.3 | 89.2 | 154.6 | -89.8 | 165.1 | 0 | 0 | 0 | 109.3 | | |
| 1023 | S | 28.3 | Very low | 31.2 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | | | trans | -145 | 149.8 | 167.4 | 60 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1024 | L | 28.5 | Very low | 31.1 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | 74.6 | 81.8 | -177.8 | -72.3 | 67.5 | 0 | 0 | 0 | 117.3 | | |
| 1025 | P | 31.1 | Very low | 30.8 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | | -89 | 94.9 | 126.4 | 33.3 | -24 | 0 | 0 | 0 | 109.5 | | |
| 1026 | N | 32.8 | Very low | 30.9 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | | | trans | -172.6 | 120.7 | 154.1 | -108.5 | -29.2 | 0 | 0 | 0 | 113.9 | | |
| 1027 | N | 31 | Very low | 30.5 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | 59 | 150.8 | 140.5 | -151.4 | 8.5 | 0 | 0 | 0 | 120.5 | | |
| 1028 | G | 32.3 | Very low | 30.3 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | trans | 123.3 | 66.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1029 | T | 28.9 | Very low | 30.2 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -77.3 | 153.8 | 165.5 | -29.1 | 0 | 0 | 0 | 0 | 111 | | |
| 1030 | I | 32.4 | Very low | 30.2 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | 76.1 | 126.6 | 166.4 | -50.7 | 162.3 | 0 | 0 | 0 | 115.9 | | |
| 1031 | G | 33.2 | Very low | 30.4 | Very low | 73 Ų | 73 | 133.1 Ų | 133.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | 165.6 | 107.9 | 167 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1032 | N | 32.9 | Very low | 30.6 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -75.5 | 161.2 | -176.2 | -64.3 | -42.9 | 0 | 0 | 0 | 114.5 | | |
| 1033 | N | 28.7 | Very low | 31 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | 9.1 | 143.5 | 138.1 | -47.8 | -30.6 | 0 | 0 | 0 | 117.7 | | |
| 1034 | T | 31.2 | Very low | 31.1 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | cis | -167 | 174.4 | 40 | -29 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1035 | N | 27.4 | Very low | 31.3 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -54.3 | 143.2 | 171.1 | -68.6 | -58.6 | 0 | 0 | 0 | 114.4 | | |
| 1036 | I | 31.5 | Very low | 31.2 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | | | trans | -151.3 | 138.9 | 140 | -100.6 | 152 | 0 | 0 | 0 | 107.9 | | |
| 1037 | C | 26.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 92% | 0.919 | 79% | 0.792 | S | S | * | * | | | trans | -109.2 | 130.9 | 170 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1038 | G | 29.5 | Very low | 31.2 | Very low | 58 Ų | 58 | 125.6 Ų | 125.6 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | | | trans | -170.7 | 90.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1039 | S | 28.5 | Very low | 31 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | 59.3 | 146.8 | 147.4 | 56.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1040 | T | 32.1 | Very low | 31.1 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | 65.1 | 145.9 | 166.3 | 44.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1041 | L | 35.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | cis | -137.5 | 169.8 | 3.2 | -161.5 | 63.5 | 0 | 0 | 0 | 111.9 | | |
| 1042 | L | 31.8 | Very low | 31.1 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -57.9 | 166.1 | -179.7 | -68.2 | 65.2 | 0 | 0 | 0 | 115.4 | | |
| 1043 | G | 36.1 | Very low | 30.8 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | 129.4 | 82.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1044 | A | 30.7 | Very low | 30.9 | Very low | 87 Ų | 87 | 124 Ų | 124 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | cis | 65 | 124.8 | 35 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1045 | T | 32.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 65 | 135.7 | -176.4 | 76.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1046 | N | 29.3 | Very low | 31.1 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | cis | -129.5 | 139.6 | 8.9 | -78.2 | -61.1 | 0 | 0 | 0 | 114.1 | | |
| 1047 | I | 26.3 | Very low | 31.1 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | | | trans | -140 | 143.2 | 149.2 | -47.6 | 173.2 | 0 | 0 | 0 | 105.1 | | |
| 1048 | P | 38 | Very low | 31.4 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | | | cis | -117.3 | 178.1 | -37.7 | 38.6 | -25.2 | 0 | 0 | 0 | 110.9 | | |
| 1049 | S | 28.3 | Very low | 31.7 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | trans | -170.9 | 153.1 | 151.7 | -86.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1050 | G | 30.7 | Very low | 31.6 | Very low | 69 Ų | 69 | 125.8 Ų | 125.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | 105.6 | 88.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1051 | A | 33.9 | Very low | 31.7 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | | 58.3 | 82 | 93.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1052 | I | 31.1 | Very low | 31.6 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | | 56 | 132.9 | 58.8 | -40 | 156.4 | 0 | 0 | 0 | 110.6 | | |
| 1053 | S | 26.5 | Very low | 31.5 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -49.9 | 144.3 | 163.1 | -48.2 | 0 | 0 | 0 | 0 | 111.7 | L1055 | S1053-L1055 PolarHBondContact O-N 2.72Š|
| 1054 | L | 30.3 | Very low | 31.3 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | 48.3 | 60.5 | 136.2 | -158.6 | 73.7 | 0 | 0 | 0 | 116.3 | | |
| 1055 | L | 26.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | | | trans | -104.7 | 83.2 | 137 | -81.2 | 87 | 0 | 0 | 0 | 107.5 | S1053 | S1053-L1055 PolarHBondContact O-N 2.72Š|
| 1056 | D | 37.6 | Very low | 31.2 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | | | trans | -91.6 | 118.6 | 152.9 | 177.6 | 8.9 | 0 | 0 | 0 | 107.5 | H1058 | D1056-H1058 PolarHBondContact OD1-N 3.2Å; D1056-H1058 VanDerWaalsContact OD1-N 3.16Å |
| 1057 | P | 31 | Very low | 31.2 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -119.6 | 44.1 | 177.2 | 40 | -26.5 | 0 | 0 | 0 | 112.8 | | |
| 1058 | H | 33.3 | Very low | 31.4 | Very low | 148 Ų | 148 | 120.6 Ų | 120.6 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | -90.1 | 102.2 | 166.8 | -94.8 | -96.7 | 0 | 0 | 0 | 113.5 | D1056 | D1056-H1058 PolarHBondContact OD1-N 3.2Å; D1056-H1058 VanDerWaalsContact OD1-N 3.16Å |
| 1059 | Q | 36.1 | Very low | 31 | Very low | 164 Ų | 164 | 120 Ų | 120 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | 61.5 | 105.2 | 148.2 | -58.3 | 168.2 | 21.3 | 0 | 0 | 116.4 | | |
| 1060 | A | 27 | Very low | 31.1 | Very low | 93 Ų | 93 | 117.4 Ų | 117.4 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | cis | 70.7 | 87.5 | 27.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1061 | L | 34 | Very low | 31.2 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | -171.8 | 146 | 159.5 | -123.4 | 66.7 | 0 | 0 | 0 | 105.8 | | |
| 1062 | F | 33.8 | Very low | 31.1 | Very low | 185 Ų | 185 | 124 Ų | 124 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | cis | -159 | 116.7 | -6.5 | -156.5 | -116.1 | 0 | 0 | 0 | 105.7 | | |
| 1063 | A | 28.3 | Very low | 31.2 | Very low | 81 Ų | 81 | 121 Ų | 121 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | | 81.4 | 101.2 | 74.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1064 | A | 31.7 | Very low | 31.5 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -162.7 | 100.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1065 | A | 30.5 | Very low | 31.8 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 88% | 0.884 | 74% | 0.736 | S | S | * | * | | | | 76.6 | 133.4 | 74 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1066 | A | 30.9 | Very low | 32.3 | Very low | 92 Ų | 92 | 120 Ų | 120 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | cis | -137.6 | 140.4 | 9.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1067 | A | 29.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | | 72.8 | 146.8 | 75.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1068 | A | 29.8 | Very low | 31.8 | Very low | 100 Ų | 100 | 115.8 Ų | 115.8 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | | | cis | -148.5 | -176.9 | 4.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1069 | A | 31 | Very low | 31.6 | Very low | 99 Ų | 99 | 114.7 Ų | 114.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | cis | -153.2 | 177.8 | -1.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 1070 | A | 30.6 | Very low | 31.2 | Very low | 74 Ų | 74 | 113.4 Ų | 113.4 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | | | cis | -151.9 | 157.1 | 3.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1071 | Q | 32 | Very low | 31.3 | Very low | 171 Ų | 171 | 116.3 Ų | 116.3 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | | 51.8 | 139.7 | 105.5 | -57.4 | -177.7 | 25.2 | 0 | 0 | 117 | | |
| 1072 | N | 32 | Very low | 31.1 | Very low | 122 Ų | 122 | 112 Ų | 112 | 65% | 0.652 | 73% | 0.732 | S | S | * | * | | | cis | -168.4 | 155.9 | -3.9 | -117.1 | -20.3 | 0 | 0 | 0 | 112.7 | | |
| 1073 | I | 33.1 | Very low | 31 | Very low | 87 Ų | 87 | 110 Ų | 110 | 45% | 0.446 | 73% | 0.729 | S | S | . | * | | | trans | 66.6 | 106 | 137.2 | -68.1 | 170.3 | 0 | 0 | 0 | 122.1 | N77 | N77-I1073 HydrophobicContact CB-CG2 4.48Å; N77-I1073 WeakPolarHBondContact OD1-CG2 3.38Å; N77-I1073 PolarHBondContact OD1-O 3.11Å |
| 1074 | Q | 32.8 | Very low | 31.2 | Very low | 91 Ų | 91 | 112.1 Ų | 112.1 | 43% | 0.425 | 73% | 0.729 | S | S | . | * | | | | 71.9 | 167.4 | 124 | -65.2 | 174.9 | -116.7 | 0 | 0 | 127.3 | V76 N77 | V76-Q1074 VanDerWaalsContact C-NE2 3.34Å; V76-Q1074 PolarHBondContact O-OE1 3.03Å; N77-Q1074 HydrophobicContact CB-CB 3.62Å; N77-Q1074 VanDerWaalsContact CG-C 3.46Å; N77-Q1074 VanDerWaalsContact CG-CB 3.48Å; N77-Q1074 PolarHBondContact ND2-O 3.45Å; N77-Q1074 VanDerWaalsContact OD1-C 3.31Å; N77-Q1074 WeakPolarHBondContact OD1-CA 3.41Å; N77-Q1074 WeakPolarHBondContact OD1-CB 3.18Å; N77-Q1074 PolarHBondContact OD1-O 3.48Å |
| 1075 | K | 37.3 | Very low | 31.4 | Very low | 187 Ų | 187 | 114.3 Ų | 114.3 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | | | trans | -97.9 | 155.6 | 178.1 | -75.9 | 179.9 | 174.6 | 177.3 | 0 | 111.7 | N77 | N77-K1075 VanDerWaalsContact CB-O 3.24Å; N77-K1075 WeakPolarHBondContact CB-O 3.4Å; N77-K1075 PolarHBondContact ND2-O 2.65Å; N77-K1075 VanDerWaalsContact ND2-O 3.1Å |
| 1076 | P | 35.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 115.3 Ų | 115.3 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | | | | -157.8 | -178.6 | 77.1 | 44.1 | -23.7 | 0 | 0 | 0 | 118.3 | N77 | N77-P1076 WeakPolarHBondContact ND2-CD 3.39Š|
| 1077 | G | 29.6 | Very low | 31.4 | Very low | 73 Ų | 73 | 115.3 Ų | 115.3 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | | | trans | 88 | 141.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1078 | G | 28.9 | Very low | 31.3 | Very low | 72 Ų | 72 | 117.7 Ų | 117.7 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | | | cis | 82.7 | 151.5 | -3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1079 | V | 28.7 | Very low | 31.6 | Very low | 124 Ų | 124 | 117 Ų | 117 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | | | cis | -155.2 | 131.1 | 10.2 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1080 | N | 29.1 | Very low | 31.5 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | | | trans | 64.2 | 163.3 | 153.7 | -64.7 | -3.1 | 0 | 0 | 0 | 123.7 | | |
| 1081 | N | 28.7 | Very low | 31.5 | Very low | 155 Ų | 155 | 122 Ų | 122 | 83% | 0.829 | 71% | 0.705 | S | S | * | * | | | trans | 83.2 | 132.7 | 152.6 | -69.2 | -15.3 | 0 | 0 | 0 | 118.9 | | |
| 1082 | A | 29.2 | Very low | 31.6 | Very low | 74 Ų | 74 | 122.8 Ų | 122.8 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | | | cis | -167 | -172.9 | -14.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1083 | I | 31.8 | Very low | 31.5 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | | | trans | 74.9 | 126.5 | 145.5 | -73 | 160.5 | 0 | 0 | 0 | 117.8 | | |
| 1084 | N | 32.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | | | trans | 74.7 | 128.7 | 151.5 | -75.9 | -9.8 | 0 | 0 | 0 | 123.2 | | |
| 1085 | Q | 35.1 | Very low | 31.5 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | | | | 76.9 | 149.4 | 128.1 | -70.6 | 178.4 | 62.2 | 0 | 0 | 121.1 | | |
| 1086 | I | 34.4 | Very low | 31.3 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | | | trans | 53 | 99 | 144.9 | -64.3 | 165.4 | 0 | 0 | 0 | 114.4 | | |
| 1087 | A | 28.2 | Very low | 31.3 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | cis | 56.1 | 109.6 | 38.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1088 | L | 28.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | | | trans | 68.5 | 151.6 | -165.7 | -83.4 | 63.1 | 0 | 0 | 0 | 113.7 | | |
| 1089 | A | 36.2 | Very low | 31.7 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | | | cis | -135.3 | 145 | -0.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1090 | N | 29.1 | Very low | 31.7 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | | 61.4 | 103.4 | 58.6 | -87.5 | -25.9 | 0 | 0 | 0 | 115 | | |
| 1091 | L | 29.2 | Very low | 31.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | | 159.9 | 107.6 | 116 | -87.1 | 158 | 0 | 0 | 0 | 115.9 | L1093 | L1091-L1093 HydrophobicContact CD2-CB 4.22Å; L1091-L1093 HydrophobicContact CD2-CD2 3.95Å |
| 1092 | K | 34.8 | Very low | 32 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | | | trans | -176.4 | 107.4 | 144 | -111.3 | 178.2 | 178.6 | 179 | 0 | 106.1 | | |
| 1093 | L | 29.3 | Very low | 32.1 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | | | cis | 75.6 | 67.2 | 15.3 | -145.6 | 83.3 | 0 | 0 | 0 | 116.2 | L1091 | L1091-L1093 HydrophobicContact CD2-CB 4.22Å; L1091-L1093 HydrophobicContact CD2-CD2 3.95Å |
| 1094 | S | 35.8 | Very low | 32 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | | -123.5 | 123.9 | 129 | -158.3 | 0 | 0 | 0 | 0 | 104.8 | | |
| 1095 | N | 31.3 | Very low | 31.9 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | | | cis | 72.8 | 133.9 | 32.7 | -154.8 | 13.6 | 0 | 0 | 0 | 113.8 | | |
| 1096 | T | 33.3 | Very low | 31.7 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | | | trans | 53.3 | 128 | -173.8 | 61.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1097 | N | 34.8 | Very low | 31.5 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | cis | -124.4 | 166.7 | 11.5 | -72.4 | -65.6 | 0 | 0 | 0 | 112.9 | | |
| 1098 | G | 32.9 | Very low | 31.7 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -65.3 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1099 | R | 33.5 | Very low | 31.8 | Very low | 244 Ų | 244 | 128.9 Ų | 128.9 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | cis | -157.1 | 152.6 | 40.2 | -102.3 | -176.5 | -171.4 | -160.2 | 3.2 | 108.9 | | |
| 1100 | H | 29.6 | Very low | 31.8 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | | | cis | 60.5 | 98.6 | 33.1 | -152.1 | -96.6 | 0 | 0 | 0 | 113 | | |
| 1101 | L | 30.9 | Very low | 31.9 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | cis | -166.9 | 164.5 | 32 | 180 | 62.8 | 0 | 0 | 0 | 109.8 | | |
| 1102 | G | 32.2 | Very low | 32.1 | Very low | 55 Ų | 55 | 129.9 Ų | 129.9 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | | | trans | 136.3 | 90.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1103 | T | 31.2 | Very low | 32.4 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | | | | 28.6 | 131.1 | 118.6 | 54.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1104 | T | 30.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | | | cis | -153.5 | 152.5 | 6.4 | 44.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1105 | A | 30.2 | Very low | 32.6 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | trans | 58.4 | 102.7 | 147 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1106 | P | 30.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | | | trans | -117.2 | 176.3 | 153.7 | 38.1 | -26.9 | 0 | 0 | 0 | 113.1 | | |
| 1107 | V | 30.3 | Very low | 33 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | | | trans | 65.6 | 139.5 | 174.6 | -127.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1108 | I | 32.2 | Very low | 33.1 | Very low | 164 Ų | 164 | 122 Ų | 122 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | | | cis | -141.7 | 137.9 | 25.3 | -58.7 | 159 | 0 | 0 | 0 | 111.8 | | |
| 1109 | G | 31.1 | Very low | 33.4 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | | | trans | 83.2 | 148.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1110 | L | 35.5 | Very low | 33.3 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 87% | 0.869 | 71% | 0.707 | S | S | * | * | | | cis | -143.5 | 144.7 | -7.4 | -149.4 | 76 | 0 | 0 | 0 | 110.3 | | |
| 1111 | L | 31.7 | Very low | 33.5 | Very low | 148 Ų | 148 | 124 Ų | 124 | 78% | 0.775 | 70% | 0.704 | S | S | * | * | | | trans | -70.4 | 151.3 | 164.4 | -61.6 | 88.4 | 0 | 0 | 0 | 109.7 | | |
| 1112 | D | 32.4 | Very low | 33.5 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 39% | 0.385 | 71% | 0.706 | S | S | . | * | | | | -154.8 | 140.1 | 107.4 | -168.8 | 66.4 | 0 | 0 | 0 | 111.4 | L376 | L376-D1112 HydrophobicContact CD1-CB 3.81Å; L376-D1112 WeakPolarHBondContact CD1-OD1 3.48Å; L376-D1112 HydrophobicContact CD2-CB 4.41Å; L376-D1112 VanDerWaalsContact CD2-CG 3.44Å; L376-D1112 WeakPolarHBondContact CD2-OD2 3.39Å; L376-D1112 HydrophobicContact CG-CB 3.72Å; L376-D1112 WeakPolarHBondContact CG-OD2 3.36Å |
| 1113 | P | 41.3 | Very low | 33.3 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 46% | 0.455 | 72% | 0.715 | S | S | . | * | | | trans | -105.4 | 155 | 177.5 | 38.3 | -30.2 | 0 | 0 | 0 | 113 | | |
| 1114 | R | 30 | Very low | 33.4 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | | | trans | -143.6 | 65.8 | 140.5 | -113.2 | 152.7 | -171 | 173.8 | 2.8 | 110.5 | P314 | P314-R1114 WeakPolarHBondContact CD-O 3.42Š|
| 1115 | T | 40.4 | Very low | 33.3 | Very low | 89 Ų | 89 | 124.2 Ų | 124.2 | 55% | 0.546 | 71% | 0.709 | S | S | . | * | | | trans | -132.9 | 110.2 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 107.5 | L312 I313 P314 | L312-T1115 CarbonylContact O-C 3.55Å; L312-T1115 VanDerWaalsContact O-CA 3.3Å; L312-T1115 WeakPolarHBondContact O-CA 3.26Å; L312-T1115 VanDerWaalsContact O-CB 3.31Å; L312-T1115 WeakPolarHBondContact O-CB 3.29Å; I313-T1115 HydrophobicContact CG1-CG2 4.23Å; P314-T1115 VanDerWaalsContact CD-CA 3.47Å |
| 1116 | G | 33.7 | Very low | 33.5 | Very low | 44 Ų | 44 | 125.5 Ų | 125.5 | 45% | 0.454 | 71% | 0.707 | S | S | . | * | | | trans | -162.4 | 80.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L312 I313 Q1118 | L312-G1116 WeakPolarHBondContact O-CA 3.43Å; L312-G1116 PolarHBondContact O-N 3.26Å; I313-G1116 CarbonylContact O-C 2.86Å; I313-G1116 VanDerWaalsContact O-C 3.28Å; I313-G1116 PolarHBondContact O-N 3.35Å; G1116-Q1118 PolarHBondContact O-N 2.8Å |
| 1117 | L | 38 | Very low | 33.6 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 56% | 0.56 | 71% | 0.705 | S | S | * | * | | | trans | -89.7 | 86.7 | 173.2 | -114.7 | 167.4 | 0 | 0 | 0 | 109.8 | L312 I313 | L312-L1117 HydrophobicContact CB-CB 4.12Å; L312-L1117 HydrophobicContact CB-CD1 3.98Å; L312-L1117 HydrophobicContact CD1-CD1 4.12Å; L312-L1117 HydrophobicContact CD2-CD1 4.41Å; L312-L1117 HydrophobicContact CG-CD1 4.39Å; L312-L1117 PolarHBondContact O-N 3.19Å; I313-L1117 WeakPolarHBondContact O-CB 3.47Å; I313-L1117 WeakPolarHBondContact O-CG 3.35Å; I313-L1117 PolarHBondContact O-N 3.01Å; I313-L1117 VanDerWaalsContact O-N 3.1Å |
| 1118 | Q | 37.9 | Very low | 33.5 | Very low | 190 Ų | 190 | 125.1 Ų | 125.1 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | | | trans | -89.6 | 108.7 | 168.3 | -73.6 | -167.4 | 3.5 | 0 | 0 | 110.6 | G1116 | G1116-Q1118 PolarHBondContact O-N 2.8Š|
| 1119 | L | 38.5 | Very low | 33.4 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 136.8 | 157.1 | -72.2 | 166.7 | 0 | 0 | 0 | 108.4 | V1121 | L1119-V1121 PolarHBondContact O-N 2.95Š|
| 1120 | R | 32.3 | Very low | 33.3 | Very low | 251 Ų | 251 | 123.7 Ų | 123.7 | 95% | 0.947 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131 | 168.4 | -98.8 | -174.3 | 175.3 | 164.6 | 0.7 | 109.6 | | |
| 1121 | V | 33.3 | Very low | 33 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -63 | 146.9 | 170.8 | 174 | 0 | 0 | 0 | 0 | 109.9 | L1119 | L1119-V1121 PolarHBondContact O-N 2.95Š|
| 1122 | A | 31.6 | Very low | 33.7 | Very low | 98 Ų | 98 | 121.2 Ų | 121.2 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | | | trans | -109.3 | 115.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1123 | D | 27.4 | Very low | 33.6 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | | | trans | -75.9 | 137.3 | -170.5 | -58.4 | -76.9 | 0 | 0 | 0 | 112.9 | | |
| 1124 | T | 32.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 124 Ų | 124 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | | | trans | -179.2 | 134.5 | 147.2 | 16.9 | 0 | 0 | 0 | 0 | 109 | | |
| 1125 | S | 30 | Very low | 33.3 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | | | cis | -169.7 | 171.3 | -17.8 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1126 | T | 32.9 | Very low | 32.9 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | trans | 65.6 | 142.5 | 156.3 | 55.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1127 | T | 32.8 | Very low | 32.7 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | cis | -160.6 | 141 | -4.8 | 8.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1128 | T | 28.6 | Very low | 32.3 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | 28.9 | 134.9 | 144.4 | 57.5 | 0 | 0 | 0 | 0 | 123 | | |
| 1129 | S | 28.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | | | trans | -95.8 | 142.5 | 138 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1130 | A | 29.2 | Very low | 31.5 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | | | trans | -100.7 | -167.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1131 | I | 30.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 120.3 Ų | 120.3 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | | | | 160.9 | 147.1 | 122.4 | -83.1 | 156.4 | 0 | 0 | 0 | 109.6 | | |
| 1132 | P | 44.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | | | cis | -90.2 | -124.1 | -10.6 | 15.5 | 3.9 | 0 | 0 | 0 | 110.9 | | |
| 1133 | T | 31.5 | Very low | 31 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | | | cis | -170.6 | 150 | -0.5 | -8.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1134 | S | 32.3 | Very low | 31.1 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 59% | 0.594 | 73% | 0.728 | S | S | * | * | | | cis | -173.7 | 147.6 | -28.1 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1135 | N | 31.5 | Very low | 30.9 | Very low | 149 Ų | 149 | 123 Ų | 123 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | | | trans | 68.2 | 148.7 | 167.4 | -58.8 | -5.7 | 0 | 0 | 0 | 116 | | |
| 1136 | L | 32.1 | Very low | 30.8 | Very low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | | | cis | -151.7 | 142.4 | 13.6 | -132.5 | 154.4 | 0 | 0 | 0 | 112.1 | | |
| 1137 | T | 30.6 | Very low | 30.7 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | | | trans | 72.7 | 143.1 | 154.7 | 23.8 | 0 | 0 | 0 | 0 | 124.7 | | |
| 1138 | D | 29.4 | Very low | 30.5 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | trans | 85.3 | 74.1 | 144.3 | -58.5 | -25.2 | 0 | 0 | 0 | 125.4 | | |
| 1139 | C | 28.4 | Very low | 30.8 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | | | | 57.6 | 134.4 | 100.2 | -61.9 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1140 | L | 31.2 | Very low | 30.9 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | | | trans | 86 | 95 | 146.9 | -67.1 | 166.5 | 0 | 0 | 0 | 122.9 | | |
| 1141 | N | 31.1 | Very low | 31.1 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | | | | 61 | 118.6 | 103.7 | -153.4 | 38 | 0 | 0 | 0 | 122.8 | | |
| 1142 | N | 28.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | | | trans | 73.6 | 116.2 | 142.3 | -83.1 | -15.1 | 0 | 0 | 0 | 124.6 | | |
| 1143 | N | 27.6 | Very low | 30.6 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | | | trans | 79.2 | 160.4 | 132.9 | -61.6 | -36.7 | 0 | 0 | 0 | 123 | | |
| 1144 | Y | 27.9 | Very low | 30.4 | Very low | 211 Ų | 211 | 131.8 Ų | 131.8 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | | | trans | 79.2 | 89.7 | 164.2 | -79.2 | -86 | 0 | 0 | 0 | 121.6 | | |
| 1145 | S | 27.9 | Very low | 30.5 | Very low | 85 Ų | 85 | 136.6 Ų | 136.6 | 59% | 0.594 | 72% | 0.716 | S | S | * | * | | | | 83.8 | 125.4 | 105.6 | -70.5 | 0 | 0 | 0 | 0 | 125.5 | | |
| 1146 | H | 29 | Very low | 30.3 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | | | trans | 76.8 | 133.1 | 131.4 | -80.9 | -72.6 | 0 | 0 | 0 | 124.1 | | |
| 1147 | S | 30 | Very low | 30.2 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | | | trans | 71.5 | 155 | 143.4 | -90.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1148 | S | 29.6 | Very low | 30 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 57% | 0.573 | 71% | 0.711 | S | S | * | * | | | cis | -166 | 158.4 | -14.5 | -125 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1149 | D | 33.6 | Very low | 30 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | | | trans | 62.5 | 161.3 | 150.6 | -38.6 | -21.6 | 0 | 0 | 0 | 118.4 | | |
| 1150 | N | 31.4 | Very low | 30 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | | | cis | -149.6 | 168.3 | 4.3 | -156.1 | 9.2 | 0 | 0 | 0 | 113.9 | | |
| 1151 | E | 33.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | | | trans | 70.5 | 146.6 | 163.3 | -73.6 | -171.9 | -118.8 | 0 | 0 | 118.1 | | |
| 1152 | Q | 33.7 | Very low | 29.7 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | cis | -139.5 | 153.6 | -13.3 | -102 | -171.7 | 54.6 | 0 | 0 | 107 | | |
| 1153 | M | 31.9 | Very low | 29.5 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | | | cis | 78 | 134.4 | 46.8 | -157.8 | 178.8 | 69.4 | 0 | 0 | 113.9 | | |
| 1154 | E | 26.8 | Very low | 29.4 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | cis | -169.7 | 176.2 | -29 | -177.1 | 164.5 | -151.5 | 0 | 0 | 108.1 | | |
| 1155 | K | 34.2 | Very low | 29.7 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | | | trans | 88.4 | 113.5 | 170.9 | -54.3 | 175.8 | -176.9 | 176.3 | 0 | 114.8 | | |
| 1156 | Q | 26.8 | Very low | 29.4 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | | | cis | 88.1 | 143.6 | 21.9 | -153.4 | -163.4 | 68.9 | 0 | 0 | 115 | | |
| 1157 | I | 31.5 | Very low | 29.4 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | | | trans | 101.4 | 105.7 | 162.3 | -56.3 | -179 | 0 | 0 | 0 | 118.7 | | |
| 1158 | N | 27 | Very low | 29.6 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | | | trans | 66.5 | 131.9 | 136.7 | -73 | 24.4 | 0 | 0 | 0 | 127.7 | | |
| 1159 | E | 28.4 | Very low | 29.4 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | | 82.4 | 109.9 | 123.9 | -70.6 | 175.4 | 126.3 | 0 | 0 | 124.7 | | |
| 1160 | S | 28.1 | Very low | 29.5 | Very low | 92 Ų | 92 | 145.2 Ų | 145.2 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | | | | 78.9 | 122.4 | 113.7 | -58.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 1161 | N | 25.9 | Very low | 29.1 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | | | trans | 50.8 | 104.5 | 134.5 | -60.7 | -19.3 | 0 | 0 | 0 | 120.4 | | |
| 1162 | R | 29.5 | Very low | 29.1 | Very low | 221 Ų | 221 | 147 Ų | 147 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | | | | -178.1 | 152.8 | 121.4 | -95.6 | 174.8 | 90.9 | -128.7 | 1.1 | 108.2 | | |
| 1163 | M | 25.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 70% | 0.7 | 75% | 0.745 | S | S | * | * | | | cis | 129.3 | 132.7 | 3.4 | 176.9 | 178.8 | -173.6 | 0 | 0 | 107.9 | | |
| 1164 | T | 26.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | | | trans | 61.5 | 153.5 | 172.7 | 47.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1165 | T | 32.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | cis | -117.9 | 162.6 | -2.1 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1166 | N | 23 | Very low | 28.6 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | | | cis | 70.9 | 136.8 | 44.6 | -95.3 | 45.1 | 0 | 0 | 0 | 115.8 | | |
| 1167 | E | 28.7 | Very low | 28.8 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | trans | 68.8 | 151.5 | 168.5 | -70.9 | 150.2 | -117.2 | 0 | 0 | 117.1 | | |
| 1168 | T | 34.2 | Very low | 28.7 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | cis | -143 | 161.9 | 13 | -17.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1169 | D | 25.9 | Very low | 29 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -63.5 | 164.4 | 165.1 | -56.1 | -95.2 | 0 | 0 | 0 | 113.8 | | |
| 1170 | L | 34.2 | Very low | 29 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | | -169.5 | 132.7 | 121 | -103.7 | 168.8 | 0 | 0 | 0 | 112.5 | | |
| 1171 | N | 24.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -83.9 | 153.8 | 165.3 | -66.7 | -69 | 0 | 0 | 0 | 110.3 | | |
| 1172 | Q | 31.6 | Very low | 29.3 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | | -179.8 | 133.8 | 123.6 | -101.4 | 168.7 | 5.4 | 0 | 0 | 115.3 | | |
| 1173 | T | 31.4 | Very low | 29.3 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | trans | 44.8 | 120.7 | 142.6 | 54.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1174 | N | 26.5 | Very low | 29.7 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | | 73.6 | 107.8 | 65.6 | -70.4 | -0.9 | 0 | 0 | 0 | 115 | | |
| 1175 | E | 30.9 | Very low | 29.9 | Very low | 200 Ų | 200 | 146.6 Ų | 146.6 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | | | trans | -164.2 | 128.5 | 131 | -65.3 | -157.3 | 149.9 | 0 | 0 | 105.6 | | |
| 1176 | L | 29.4 | Very low | 30 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | | | cis | 99.3 | 74 | 3 | -140.4 | 175.8 | 0 | 0 | 0 | 117.5 | T1178 | L1176-T1178 HydrophobicContact CD2-CG2 3.78Š|
| 1177 | E | 30.9 | Very low | 30.3 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -122.4 | 113.1 | 146.5 | -65.5 | -174.7 | 131 | 0 | 0 | 106.8 | | |
| 1178 | T | 29.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | | 56.4 | 96.8 | 70.7 | 64.4 | 0 | 0 | 0 | 0 | 116 | L1176 | L1176-T1178 HydrophobicContact CD2-CG2 3.78Š|
| 1179 | G | 31.7 | Very low | 30.3 | Very low | 84 Ų | 84 | 148.2 Ų | 148.2 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | -158 | 107.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1180 | S | 29.6 | Very low | 30.7 | Very low | 101 Ų | 101 | 151.4 Ų | 151.4 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -97.6 | 145 | -163.4 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1181 | N | 30.6 | Very low | 30.6 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | | | | -164.6 | 169.2 | 122.5 | -105.8 | -60.8 | 0 | 0 | 0 | 112.7 | | |
| 1182 | Y | 28.2 | Very low | 31 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | | | trans | -104.1 | 165.2 | -161.3 | -96.8 | -109.6 | 0 | 0 | 0 | 115.2 | | |
| 1183 | E | 30 | Very low | 30.9 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | 65.9 | 144.9 | 159.3 | -72.7 | 160.8 | -162.2 | 0 | 0 | 117.7 | | |
| 1184 | D | 33.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 151.6 Ų | 151.6 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | cis | -138 | 151.9 | 11.1 | -153.9 | -6 | 0 | 0 | 0 | 111.9 | | |
| 1185 | Q | 31.2 | Very low | 30.8 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -139 | 117.7 | -175.6 | 177 | -178.7 | -12.4 | 0 | 0 | 110.4 | D1187 | Q1185-D1187 PolarHBondContact NE2-OD1 3.42Š|
| 1186 | I | 35.3 | Very low | 30.8 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | | | trans | -134.6 | 123.5 | 165.3 | -58.5 | -177.9 | 0 | 0 | 0 | 109.1 | | |
| 1187 | D | 28.3 | Very low | 30.8 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 56% | 0.561 | 77% | 0.769 | S | S | * | * | | | trans | -87.2 | 159.5 | -169.5 | -35 | -81.2 | 0 | 0 | 0 | 112.6 | Q1185 | Q1185-D1187 PolarHBondContact NE2-OD1 3.42Š|
| 1188 | E | 33 | Very low | 30.9 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -148.1 | 57.6 | 137.4 | -132.5 | -166.4 | 167.2 | 0 | 0 | 110.2 | W1190 | E1188-W1190 PolarHBondContact O-N 2.94Å; E1188-W1190 PolarHBondContact OE1-NE1 3.42Å |
| 1189 | E | 31.4 | Very low | 30.8 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | -71.8 | 86.3 | 174.5 | -175.8 | 164.5 | -137.8 | 0 | 0 | 110.6 | E1191 | E1189-E1191 VanDerWaalsContact C-N 3.27Å; E1189-E1191 HydrophobicContact CG-CG 4.38Å; E1189-E1191 PolarHBondContact O-N 3.16Å |
| 1190 | W | 32.7 | Very low | 30.8 | Very low | 208 Ų | 208 | 149.5 Ų | 149.5 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | | | trans | -77.2 | 77.3 | 171.3 | -83.4 | 94.4 | 0 | 0 | 0 | 111.3 | E1188 | E1188-W1190 PolarHBondContact O-N 2.94Å; E1188-W1190 PolarHBondContact OE1-NE1 3.42Å |
| 1191 | E | 31.9 | Very low | 30.9 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | | | trans | -52.5 | 144.9 | 167.2 | -96 | -77.7 | 96.6 | 0 | 0 | 111.6 | E1189 | E1189-E1191 VanDerWaalsContact C-N 3.27Å; E1189-E1191 HydrophobicContact CG-CG 4.38Å; E1189-E1191 PolarHBondContact O-N 3.16Å |
| 1192 | P | 32.5 | Very low | 30.9 | Very low | 91 Ų | 91 | 149.3 Ų | 149.3 | 59% | 0.591 | 75% | 0.752 | S | S | * | * | | | trans | -89.6 | 109.8 | -176.9 | 33.7 | -30.4 | 0 | 0 | 0 | 112 | Q1194 | P1192-Q1194 PolarHBondContact O-N 3.22Š|
| 1193 | E | 29.8 | Very low | 31 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | | | trans | -55.6 | 107.7 | 169.9 | -72.2 | -174.3 | 150.2 | 0 | 0 | 111.5 | | |
| 1194 | Q | 26.6 | Very low | 31 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -134.2 | 66.8 | 172 | -77.2 | -112.3 | -82.4 | 0 | 0 | 109.6 | P1192 | P1192-Q1194 PolarHBondContact O-N 3.22Š|
| 1195 | D | 29.6 | Very low | 30.9 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | | | trans | -165.6 | 158.5 | 150.6 | -97.2 | -34.3 | 0 | 0 | 0 | 107.8 | | |
| 1196 | E | 31.7 | Very low | 30.8 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | cis | -118.5 | 155.9 | 12.1 | -56.1 | -172.9 | 158.2 | 0 | 0 | 113.9 | | |
| 1197 | T | 29.5 | Very low | 30.6 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | | | trans | -101.1 | 115.4 | 149.7 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1198 | C | 32 | Very low | 30.8 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 66% | 0.655 | 75% | 0.754 | S | S | * | * | | | trans | -137.1 | 137.1 | 168.3 | -155.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1199 | S | 26.8 | Very low | 30.6 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | -149 | 71.1 | -174.3 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1200 | I | 33.5 | Very low | 30.8 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -145.2 | 135.7 | 170.6 | -56.7 | -179.2 | 0 | 0 | 0 | 106.1 | | |
| 1201 | Q | 30.4 | Very low | 30.8 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | cis | 175.7 | 155.8 | -17.1 | 175 | 172.2 | -60.6 | 0 | 0 | 104 | | |
| 1202 | S | 31.3 | Very low | 30.9 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | | | trans | 64.3 | 120.9 | 165.4 | 50.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1203 | N | 29.3 | Very low | 31 | Very low | 163 Ų | 163 | 147 Ų | 147 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | | | trans | 36.6 | 129.6 | 131.3 | -66.4 | -24.8 | 0 | 0 | 0 | 119.3 | | |
| 1204 | A | 30.4 | Very low | 31.1 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | cis | -167 | 173.2 | 28.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1205 | Q | 31.8 | Very low | 31.3 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | | | trans | 69.5 | 124.8 | 164.1 | -64.9 | 165.3 | 74.5 | 0 | 0 | 114.8 | | |
| 1206 | Q | 29 | Very low | 31.5 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | | | cis | 46.7 | 93.2 | 15.8 | -88.5 | -158.2 | 34.2 | 0 | 0 | 113.9 | | |
| 1207 | L | 31.5 | Very low | 31.6 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 52% | 0.524 | 74% | 0.737 | S | S | . | * | | | trans | -172.9 | 102.4 | 138.5 | -103.6 | 164.5 | 0 | 0 | 0 | 113.5 | L1209 K1210 | L1207-L1209 WeakPolarHBondContact CD2-O 3.37Å; L1207-K1210 HydrophobicContact CD1-CD 3.84Å; L1207-K1210 HydrophobicContact CD1-CG 4.26Å; L1207-K1210 HydrophobicContact CD2-CB 4.07Å; L1207-K1210 HydrophobicContact CD2-CG 4.17Å |
| 1208 | C | 31.4 | Very low | 31.9 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 86% | 0.858 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -140.2 | 116.1 | 137.2 | -166.3 | 0 | 0 | 0 | 0 | 104 | | |
| 1209 | L | 30.7 | Very low | 32 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | S | Bend | cis | -106.3 | 147.8 | 33.2 | -54.5 | 78.5 | 0 | 0 | 0 | 114.5 | L1207 | L1207-L1209 WeakPolarHBondContact CD2-O 3.37Š|
| 1210 | K | 34 | Very low | 32.4 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | | | trans | -145.9 | 116.2 | 169.9 | -147.9 | -171.3 | -158.6 | 164.8 | 0 | 114.2 | L1207 | L1207-K1210 HydrophobicContact CD1-CD 3.84Å; L1207-K1210 HydrophobicContact CD1-CG 4.26Å; L1207-K1210 HydrophobicContact CD2-CB 4.07Å; L1207-K1210 HydrophobicContact CD2-CG 4.17Å |
| 1211 | R | 33.6 | Very low | 32.3 | Very low | 224 Ų | 224 | 136.8 Ų | 136.8 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | trans | -176.6 | 110.3 | 150 | -103.9 | 165 | 175.7 | 88.6 | -4.7 | 106.7 | | |
| 1212 | N | 33.2 | Very low | 32.3 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | | 84.6 | 139.7 | 86.8 | -83.1 | -8.9 | 0 | 0 | 0 | 112 | | |
| 1213 | K | 34.2 | Very low | 32.4 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | | | cis | -163.3 | 156.1 | 22.4 | -128.9 | 171.8 | 171.5 | -169.8 | 0 | 111.7 | | |
| 1214 | I | 32.3 | Very low | 32.6 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | | | trans | 71.4 | 119.1 | 145.7 | -73.3 | 161.5 | 0 | 0 | 0 | 120.7 | | |
| 1215 | C | 31.9 | Very low | 33.2 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | | | trans | 45 | 157.1 | 130.7 | -47.9 | 0 | 0 | 0 | 0 | 122 | | |
| 1216 | D | 33.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | | | cis | -152.1 | -170.6 | 21.8 | -140.8 | -26.3 | 0 | 0 | 0 | 115.7 | | |
| 1217 | K | 33.5 | Very low | 33.5 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | | | trans | -60 | 176.6 | -169.7 | -62.1 | 155.7 | -155 | 79.8 | 0 | 119.2 | | |
| 1218 | T | 36.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | | | trans | 95.4 | 156.5 | 152.8 | 71 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1219 | S | 33.3 | Very low | 33.5 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | | -172.9 | 132.7 | -56.5 | 50 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1220 | G | 34.7 | Very low | 33.8 | Very low | 70 Ų | 70 | 135.3 Ų | 135.3 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | trans | 69.7 | -179.9 | 167 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1221 | N | 31.8 | Very low | 33.7 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | | | cis | -166.9 | 134.9 | -23.6 | -125.8 | 37.4 | 0 | 0 | 0 | 110.2 | | |
| 1222 | S | 31.2 | Very low | 33.7 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 63% | 0.629 | 72% | 0.717 | S | S | * | * | | | trans | 48.5 | 169.9 | 148 | 67.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1223 | E | 32.2 | Very low | 33.7 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | | | cis | -150.2 | 179.5 | 12 | -144.8 | 135.2 | 149.4 | 0 | 0 | 113 | | |
| 1224 | S | 34.8 | Very low | 33.6 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | | | trans | -131.3 | 162.8 | -174.4 | -44.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1225 | P | 41.7 | Very low | 33.7 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | | | trans | -134.1 | 140.9 | 137.5 | 21.2 | -1.2 | 0 | 0 | 0 | 113 | | |
| 1226 | N | 30.5 | Very low | 33.5 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | | | | 71.1 | 137.8 | 57.3 | -72.2 | -48.2 | 0 | 0 | 0 | 113 | | |
| 1227 | K | 36.1 | Very low | 33.8 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | | | cis | -169.9 | 163.4 | 12.5 | -118.2 | 167.6 | -169.3 | 172.4 | 0 | 113.9 | | |
| 1228 | N | 31.1 | Very low | 33.7 | Very low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | | | trans | 66.5 | 163.9 | 146.1 | -71.2 | 18.1 | 0 | 0 | 0 | 122.4 | | |
| 1229 | D | 32.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | | | cis | -176.9 | 161.9 | -38.1 | -160.5 | 7.2 | 0 | 0 | 0 | 111 | | |
| 1230 | Q | 37 | Very low | 33.8 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | trans | 65.1 | 155.6 | 160.2 | -74.4 | 161.3 | 57.1 | 0 | 0 | 119.4 | | |
| 1231 | S | 32.6 | Very low | 34 | Very low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | | | cis | -172 | 173.2 | -13.8 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1232 | H | 33.1 | Very low | 34.3 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | | | trans | 75.5 | 116.5 | 161.5 | -72.4 | -73.5 | 0 | 0 | 0 | 123 | | |
| 1233 | D | 33.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | | | | 59.3 | 152.2 | 117.2 | -58.2 | -8.7 | 0 | 0 | 0 | 122.9 | | |
| 1234 | L | 32.9 | Very low | 34.8 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | | | cis | -167.6 | 176.5 | -8.7 | -114.4 | 172.9 | 0 | 0 | 0 | 112 | | |
| 1235 | I | 33 | Very low | 34.8 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | | | trans | 69.3 | 122.4 | 161.4 | -68.3 | 151.5 | 0 | 0 | 0 | 116.2 | | |
| 1236 | L | 29 | Very low | 34.5 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | | | | 86.9 | 97.7 | 50.4 | -89.7 | 172 | 0 | 0 | 0 | 116.9 | | |
| 1237 | T | 39.6 | Very low | 34.7 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | | | trans | 177.5 | 135 | 139.8 | 34 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1238 | N | 31.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 65% | 0.652 | 72% | 0.718 | S | S | * | * | | | | 57.1 | 135.6 | 68.2 | -70 | 61.3 | 0 | 0 | 0 | 112.5 | | |
| 1239 | D | 34.3 | Very low | 35.1 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | | | cis | -167.4 | 171.7 | 1.1 | -96.2 | -25.3 | 0 | 0 | 0 | 107.6 | | |
| 1240 | L | 38 | Very low | 35.3 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | | | cis | -165.1 | 170.4 | -0.5 | -117.2 | 166.8 | 0 | 0 | 0 | 109.5 | | |
| 1241 | Q | 38.6 | Very low | 35.5 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | 66.2 | 150.5 | 155.3 | -75.6 | 148.9 | 3.8 | 0 | 0 | 119.5 | | |
| 1242 | S | 36.6 | Very low | 35.5 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | cis | -164.8 | 158.4 | -9.7 | 56.8 | 0 | 0 | 0 | 0 | 115 | | |
| 1243 | N | 37.3 | Very low | 35.5 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | 68.9 | 131.3 | 142.5 | -71.3 | -24.7 | 0 | 0 | 0 | 125.6 | | |
| 1244 | L | 36.4 | Very low | 35.6 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | trans | 65.2 | 115.7 | 145.6 | -87.1 | 55.4 | 0 | 0 | 0 | 119.4 | | |
| 1245 | L | 36.3 | Very low | 35.6 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | | 75.1 | 138.1 | 86.2 | -93.5 | 66.1 | 0 | 0 | 0 | 113.5 | | |
| 1246 | L | 35.6 | Very low | 35.9 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | cis | -153.9 | 138.2 | 23.3 | -176.2 | 66.4 | 0 | 0 | 0 | 114.4 | | |
| 1247 | G | 33.8 | Very low | 36.2 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | | | trans | 94.2 | 142.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1248 | S | 38.2 | Very low | 35.9 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | cis | -159.5 | 139.9 | -7 | -85.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1249 | S | 38.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 33.5 | 144.8 | 140.4 | -68.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1250 | N | 36.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | | | cis | -177.2 | 156.8 | -13.9 | -120.9 | -70.7 | 0 | 0 | 0 | 105.5 | | |
| 1251 | K | 39.2 | Very low | 35.8 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | cis | -129.9 | 171.5 | 13.4 | -57.1 | 166.2 | -174.6 | 165.3 | 0 | 108.1 | | |
| 1252 | R | 34.2 | Very low | 35.5 | Very low | 233 Ų | 233 | 130.4 Ų | 130.4 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | cis | 87.5 | 104.5 | 25.6 | -110.1 | -174.5 | -172.7 | -156 | 0.9 | 117.3 | | |
| 1253 | S | 31.8 | Very low | 35.4 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -95.7 | -178.2 | 169.5 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1254 | S | 36.6 | Very low | 35.6 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | trans | 125.2 | 152.3 | 139.6 | -62.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1255 | S | 33.3 | Very low | 35.7 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -120.2 | 179.1 | -168.6 | -50.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1256 | S | 38.1 | Very low | 36 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | 83.8 | 90.4 | 157.8 | -55.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1257 | A | 34.9 | Very low | 36 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | | 39.5 | 133.7 | 123.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1258 | R | 33.3 | Very low | 36.3 | Very low | 253 Ų | 253 | 137.5 Ų | 137.5 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | | | trans | -151.8 | 165.7 | 137.2 | -117.3 | 170.9 | -114.4 | -148.6 | -1.8 | 110.9 | | |
| 1259 | I | 33.3 | Very low | 36.4 | Very low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -137.9 | 153.2 | -158.7 | -50.5 | 170.5 | 0 | 0 | 0 | 110.5 | | |
| 1260 | S | 36.6 | Very low | 36.3 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | | | trans | 72.8 | 149.8 | 173.2 | -153.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1261 | G | 32.1 | Very low | 36.5 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | cis | -170.1 | -177.4 | -2.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1262 | G | 32 | Very low | 36.5 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | cis | 178.5 | -166.1 | 2.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1263 | N | 34.5 | Very low | 36.8 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | | | trans | 86.5 | 140.8 | -176.4 | -61.1 | -8.3 | 0 | 0 | 0 | 117.1 | | |
| 1264 | S | 41.5 | Very low | 37.1 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | | 177.6 | 142.5 | -62.5 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1265 | S | 40.2 | Very low | 37.3 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | trans | 49.3 | 114.4 | 151.3 | 59.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1266 | N | 42.4 | Very low | 37.8 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | | | | -126.5 | 138.6 | 125.3 | -117.1 | -35.5 | 0 | 0 | 0 | 108.9 | | |
| 1267 | N | 34.3 | Very low | 37.5 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -137.8 | 133.9 | -161.3 | -174.9 | 0.1 | 0 | 0 | 0 | 109.7 | | |
| 1268 | R | 41.2 | Very low | 37.6 | Very low | 210 Ų | 210 | 140.7 Ų | 140.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | 174.5 | 112.8 | 153 | -98.5 | 160.1 | -143.7 | -137.3 | 9.1 | 112.7 | | |
| 1269 | R | 39.8 | Very low | 38 | Very low | 207 Ų | 207 | 133.4 Ų | 133.4 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | | 56.7 | 153.9 | 130 | -74.3 | 178.1 | -102.4 | -137.7 | -3.2 | 119.7 | L1271 | R1269-L1271 HydrophobicContact CG-CD1 4.44Š|
| 1270 | G | 35.6 | Very low | 38.3 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | cis | -113.4 | 176.9 | 13 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1271 | L | 41.4 | Very low | 38.8 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -124.3 | 140.6 | 177.8 | -64.4 | 78.4 | 0 | 0 | 0 | 109.4 | R1269 | R1269-L1271 HydrophobicContact CG-CD1 4.44Š|
| 1272 | S | 39.8 | Very low | 39.6 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | 178.7 | 137.7 | 143.4 | -167.5 | 0 | 0 | 0 | 0 | 108 | | |
| 1273 | S | 40.3 | Very low | 40.4 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | cis | -131.7 | 172.1 | -0 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1274 | S | 38.5 | Very low | 41 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | -106.9 | -173.5 | -176.7 | -164.6 | 0 | 0 | 0 | 0 | 113 | | |
| 1275 | Y | 41.2 | Very low | 41.6 | Very low | 201 Ų | 201 | 147.9 Ų | 147.9 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | | | trans | 80.6 | 96.8 | 172.6 | -53.2 | -73.9 | 0 | 0 | 0 | 115 | | |
| 1276 | N | 42.3 | Very low | 42.2 | Very low | 160 Ų | 160 | 149 Ų | 149 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | cis | -152.8 | 132.8 | 49.4 | -76.5 | -39.2 | 0 | 0 | 0 | 113.2 | | |
| 1277 | D | 32.7 | Very low | 43.1 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -111.9 | 120.5 | 162 | 173.8 | 21.7 | 0 | 0 | 0 | 108.7 | | |
| 1278 | S | 37.2 | Very low | 44.8 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -174.1 | 62.5 | 166.1 | -83.4 | 0 | 0 | 0 | 0 | 112 | | |
| 1279 | S | 41.9 | Very low | 46.5 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | -178.1 | 85 | 153.6 | 41.8 | 0 | 0 | 0 | 0 | 111.7 | Q1281 | S1279-Q1281 PolarHBondContact O-N 3.24Š|
| 1280 | N | 39.2 | Very low | 48.8 | Very low | 130 Ų | 130 | 148 Ų | 148 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | -77.6 | 49.9 | 174.1 | -126.2 | -55.6 | 0 | 0 | 0 | 112.3 | Q1282 | N1280-Q1282 VanDerWaalsContact C-N 3.32Å; N1280-Q1282 PolarHBondContact O-N 3.4Å |
| 1281 | Q | 45.9 | Very low | 51.6 | Low | 151 Ų | 151 | 147.4 Ų | 147.4 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -87.8 | 73.1 | 168 | -68.9 | -163 | 24.2 | 0 | 0 | 109.7 | S1279 Q1283 | S1279-Q1281 PolarHBondContact O-N 3.24Å; Q1281-Q1283 PolarHBondContact O-N 3.29Å |
| 1282 | Q | 49.8 | Very low | 54.1 | Low | 166 Ų | 166 | 142.5 Ų | 142.5 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | trans | -64.6 | 89.5 | 156.2 | -68.3 | -170.8 | 8.6 | 0 | 0 | 107.5 | N1280 L1284 | N1280-Q1282 VanDerWaalsContact C-N 3.32Å; N1280-Q1282 PolarHBondContact O-N 3.4Å; Q1282-L1284 PolarHBondContact O-N 3.27Å |
| 1283 | Q | 48.8 | Very low | 56.7 | Low | 157 Ų | 157 | 142.3 Ų | 142.3 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | -60.1 | 101.2 | 178.9 | -74.6 | -172.5 | -9.5 | 0 | 0 | 109.3 | Q1281 R1285 | Q1281-Q1283 PolarHBondContact O-N 3.29Å; Q1283-R1285 VanDerWaalsContact C-N 3.27Å; Q1283-R1285 PolarHBondContact O-N 3.39Å |
| 1284 | L | 46.1 | Very low | 59.4 | Low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | | | trans | -57.4 | 93.9 | 166.1 | -70.9 | 166.7 | 0 | 0 | 0 | 107.2 | Q1282 P1286 | Q1282-L1284 PolarHBondContact O-N 3.27Å; L1284-P1286 WeakPolarHBondContact O-CD 3.48Å |
| 1285 | R | 55.6 | Low | 62.2 | Low | 230 Ų | 230 | 137.9 Ų | 137.9 | 87% | 0.868 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 119.8 | 179.6 | -80.7 | -174.9 | 171 | -175 | -2.4 | 107.9 | Q1283 H1287 | Q1283-R1285 VanDerWaalsContact C-N 3.27Å; Q1283-R1285 PolarHBondContact O-N 3.39Å; R1285-H1287 PolarHBondContact O-N 2.83Å |
| 1286 | P | 51.8 | Low | 64.8 | Low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 119.5 | -173.7 | -32.6 | 36.2 | 0 | 0 | 0 | 110.4 | L1284 R1288 | L1284-P1286 WeakPolarHBondContact O-CD 3.48Å; P1286-R1288 PolarHBondContact O-N 2.87Å |
| 1287 | H | 61.3 | Low | 67.5 | Low | 169 Ų | 169 | 129.8 Ų | 129.8 | 78% | 0.782 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 116.5 | -171.5 | 178.8 | 85.1 | 0 | 0 | 0 | 108.3 | R1285 Q1289 | R1285-H1287 PolarHBondContact O-N 2.83Å; H1287-Q1289 VanDerWaalsContact C-N 3.29Å; H1287-Q1289 PolarHBondContact O-N 3.2Å |
| 1288 | R | 69.5 | Low | 70.5 | Confident | 225 Ų | 225 | 124.5 Ų | 124.5 | 85% | 0.849 | 63% | 0.626 | S | S | * | * | | | trans | -65.5 | 92.3 | -175.7 | -91.5 | -174.5 | 169 | -116.7 | 4.6 | 109.2 | P1286 N1290 | P1286-R1288 PolarHBondContact O-N 2.87Å; R1288-N1290 PolarHBondContact O-N 3Å; R1288-N1290 VanDerWaalsContact O-N 3.15Å |
| 1289 | Q | 76.8 | Confident | 73.4 | Confident | 174 Ų | 174 | 118.8 Ų | 118.8 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 118 | 177.2 | -161.9 | 175.4 | 27 | 0 | 0 | 108.3 | H1287 | H1287-Q1289 VanDerWaalsContact C-N 3.29Å; H1287-Q1289 PolarHBondContact O-N 3.2Å |
| 1290 | N | 89.3 | Confident | 76.1 | Confident | 141 Ų | 141 | 115.5 Ų | 115.5 | 75% | 0.754 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 137 | 175.9 | -67.5 | -64.4 | 0 | 0 | 0 | 108.8 | R1288 | R1288-N1290 PolarHBondContact O-N 3Å; R1288-N1290 VanDerWaalsContact O-N 3.15Å |
| 1291 | F | 93.4 | Very high | 78.8 | Confident | 61 Ų | 61 | 113.4 Ų | 113.4 | 27% | 0.268 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 140.8 | 172.6 | -55.4 | -61.9 | 0 | 0 | 0 | 110 | Q1295 N1296 L1326 Q1330 W1334 | F1291-Q1295 HydrophobicContact CB-CB 4.08Å; F1291-N1296 PolarHBondContact O-ND2 3.29Å; F1291-L1326 HydrophobicContact CD1-CD1 3.56Å; F1291-L1326 HydrophobicContact CD1-CD2 3.62Å; F1291-L1326 HydrophobicContact CD1-CG 4.27Å; F1291-L1326 HydrophobicContact CE1-CD1 3.8Å; F1291-L1326 HydrophobicContact CE1-CD2 3.82Å; F1291-L1326 HydrophobicContact CE1-CG 4.45Å; F1291-L1326 HydrophobicContact CG-CD1 4.27Å; F1291-Q1330 HydrophobicContact CE1-CB 4.22Å; F1291-Q1330 HydrophobicContact CE1-CG 4.43Å; F1291-Q1330 HydrophobicContact CZ-CB 4.39Å; F1291-W1334 AromaticContact CD2-CD1 3.64Å; F1291-W1334 HydrophobicContact CE2-CB 4.46Å; F1291-W1334 AromaticContact CE2-CD1 3.62Å; F1291-W1334 HydrophobicContact CE2-CG 4.45Å |
| 1292 | T | 94.6 | Very high | 81.3 | Confident | 64 Ų | 64 | 107.7 Ų | 107.7 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -61 | 160.2 | -179.8 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | T1294 Q1295 N1296 | T1292-T1294 PolarHBondContact O-N 3.15Å; T1292-Q1295 PolarHBondContact O-N 2.9Å; T1292-Q1295 WeakPolarHBondContact OG1-CB 3.34Å; T1292-Q1295 VanDerWaalsContact OG1-CD 3.24Å; T1292-Q1295 VanDerWaalsContact OG1-CG 3.28Å; T1292-Q1295 WeakPolarHBondContact OG1-CG 3.44Å; T1292-Q1295 PolarHBondContact OG1-N 3.4Å; T1292-Q1295 VanDerWaalsContact OG1-N 3.16Å; T1292-Q1295 PolarHBondContact OG1-OE1 2.77Å; T1292-N1296 PolarHBondContact O-N 2.75Å; T1292-N1296 PolarHBondContact O-ND2 2.92Å |
| 1293 | P | 95.3 | Very high | 83.5 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 75% | 0.747 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55 | -40 | 173.5 | -27.1 | 36.2 | 0 | 0 | 0 | 112.4 | N1296 R1297 | P1293-N1296 PolarHBondContact O-N 3.29Å; P1293-R1297 WeakPolarHBondContact O-CB 3.17Å; P1293-R1297 PolarHBondContact O-N 3.13Å |
| 1294 | T | 96.2 | Very high | 85.7 | Confident | 84 Ų | 84 | 98.8 Ų | 98.8 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 176.6 | -46.3 | 0 | 0 | 0 | 0 | 112.1 | T1292 R1297 I1298 | T1292-T1294 PolarHBondContact O-N 3.15Å; T1294-R1297 WeakPolarHBondContact O-CB 3.47Å; T1294-R1297 PolarHBondContact O-N 2.75Å; T1294-I1298 HydrophobicContact CG2-CD1 4.06Å; T1294-I1298 WeakPolarHBondContact O-CD1 3.46Å; T1294-I1298 WeakPolarHBondContact O-CG1 3.37Å; T1294-I1298 PolarHBondContact O-N 2.99Å |
| 1295 | Q | 97.4 | Very high | 88.1 | Confident | 31 Ų | 31 | 97.5 Ų | 97.5 | 15% | 0.145 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 175.1 | -80.8 | 160.4 | -15.6 | 0 | 0 | 112.1 | F1291 T1292 R1297 I1298 L1299 S1324 L1326 | F1291-Q1295 HydrophobicContact CB-CB 4.08Å; T1292-Q1295 PolarHBondContact O-N 2.9Å; T1292-Q1295 WeakPolarHBondContact OG1-CB 3.34Å; T1292-Q1295 VanDerWaalsContact OG1-CD 3.24Å; T1292-Q1295 VanDerWaalsContact OG1-CG 3.28Å; T1292-Q1295 WeakPolarHBondContact OG1-CG 3.44Å; T1292-Q1295 PolarHBondContact OG1-N 3.4Å; T1292-Q1295 VanDerWaalsContact OG1-N 3.16Å; T1292-Q1295 PolarHBondContact OG1-OE1 2.77Å; Q1295-R1297 VanDerWaalsContact C-N 3.3Å; Q1295-R1297 PolarHBondContact O-N 2.87Å; Q1295-I1298 PolarHBondContact O-N 3.37Å; Q1295-L1299 WeakPolarHBondContact O-CG 3.33Å; Q1295-L1299 PolarHBondContact O-N 3.41Å; Q1295-L1299 VanDerWaalsContact O-N 3.11Å; Q1295-S1324 WeakPolarHBondContact CG-O 3.48Å; Q1295-S1324 PolarHBondContact NE2-O 2.96Å; Q1295-L1326 HydrophobicContact CB-CD1 4.1Å; Q1295-L1326 HydrophobicContact CG-CD1 3.97Å; Q1295-L1326 HydrophobicContact CG-CD2 4.34Å; Q1295-L1326 HydrophobicContact CG-CG 3.97Å; Q1295-L1326 VanDerWaalsContact NE2-CD2 3.32Å |
| 1296 | N | 96.7 | Very high | 90 | Very high | 55 Ų | 55 | 90 Ų | 90 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.4 | -30.8 | 177.7 | -80.3 | -57.4 | 0 | 0 | 0 | 112.9 | F1291 T1292 P1293 T1300 W1334 | F1291-N1296 PolarHBondContact O-ND2 3.29Å; T1292-N1296 PolarHBondContact O-N 2.75Å; T1292-N1296 PolarHBondContact O-ND2 2.92Å; P1293-N1296 PolarHBondContact O-N 3.29Å; N1296-T1300 WeakPolarHBondContact O-CB 3.26Å; N1296-T1300 PolarHBondContact O-N 3.02Å; N1296-T1300 PolarHBondContact O-OG1 3.49Å; N1296-W1334 PolarHBondContact OD1-NE1 3.38Å; N1296-W1334 VanDerWaalsContact OD1-NE1 3.16Å |
| 1297 | R | 97.2 | Very high | 91.9 | Very high | 135 Ų | 135 | 90.8 Ų | 90.8 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.9 | -60.9 | 171.5 | -177.2 | -178.5 | 63.8 | 81.8 | -6.2 | 110 | P1293 T1294 Q1295 L1299 T1300 E1301 | P1293-R1297 WeakPolarHBondContact O-CB 3.17Å; P1293-R1297 PolarHBondContact O-N 3.13Å; T1294-R1297 WeakPolarHBondContact O-CB 3.47Å; T1294-R1297 PolarHBondContact O-N 2.75Å; Q1295-R1297 VanDerWaalsContact C-N 3.3Å; Q1295-R1297 PolarHBondContact O-N 2.87Å; R1297-L1299 VanDerWaalsContact C-N 3.28Å; R1297-L1299 PolarHBondContact O-N 3.17Å; R1297-T1300 CarbonylContact O-C 2.98Å; R1297-T1300 PolarHBondContact O-N 3.17Å; R1297-E1301 WeakPolarHBondContact CG-OE2 3.25Å; R1297-E1301 IonicContact CZ-OE2 2.7Å; R1297-E1301 IonicContact NH1-OE1 2.82Å; R1297-E1301 IonicContact NH1-OE2 3.72Å; R1297-E1301 PolarHBondContact NH1-OE2 3.35Å; R1297-E1301 VanDerWaalsContact O-CB 3.25Å; R1297-E1301 WeakPolarHBondContact O-CB 3.2Å; R1297-E1301 PolarHBondContact O-N 3.37Å |
| 1298 | I | 97.4 | Very high | 93.2 | Very high | 21 Ų | 21 | 88 Ų | 88 | 11% | 0.108 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -49.3 | -49.5 | -177.9 | -66.7 | 155.3 | 0 | 0 | 0 | 111.3 | T1294 Q1295 W1302 L1320 I1323 | T1294-I1298 HydrophobicContact CG2-CD1 4.06Å; T1294-I1298 WeakPolarHBondContact O-CD1 3.46Å; T1294-I1298 WeakPolarHBondContact O-CG1 3.37Å; T1294-I1298 PolarHBondContact O-N 2.99Å; Q1295-I1298 PolarHBondContact O-N 3.37Å; I1298-W1302 PolarHBondContact O-N 2.79Å; I1298-W1302 VanDerWaalsContact O-N 3.17Å; I1298-L1320 HydrophobicContact CG2-CD2 3.96Å; I1298-I1323 HydrophobicContact CD1-CG2 4.01Å; I1298-I1323 WeakPolarHBondContact CD1-O 3.41Å; I1298-I1323 HydrophobicContact CG1-CG2 4.24Å; I1298-I1323 HydrophobicContact CG2-CB 4.4Å; I1298-I1323 HydrophobicContact CG2-CG2 3.87Å |
| 1299 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.4 | -33.6 | -179.5 | -62.4 | 178.3 | 0 | 0 | 0 | 113.2 | Q1295 R1297 Y1303 L1320 L1326 V1331 W1334 F1335 | Q1295-L1299 WeakPolarHBondContact O-CG 3.33Å; Q1295-L1299 PolarHBondContact O-N 3.41Å; Q1295-L1299 VanDerWaalsContact O-N 3.11Å; R1297-L1299 VanDerWaalsContact C-N 3.28Å; R1297-L1299 PolarHBondContact O-N 3.17Å; L1299-Y1303 VanDerWaalsContact O-CB 3.26Å; L1299-Y1303 WeakPolarHBondContact O-CB 3.09Å; L1299-Y1303 PolarHBondContact O-N 3.43Å; L1299-Y1303 VanDerWaalsContact O-N 3.13Å; L1299-L1320 HydrophobicContact CD2-CB 4.04Å; L1299-L1320 HydrophobicContact CD2-CD1 4.48Å; L1299-L1320 HydrophobicContact CD2-CD2 4.48Å; L1299-L1326 HydrophobicContact CD1-CD1 3.94Å; L1299-V1331 HydrophobicContact CD2-CG1 3.91Å; L1299-V1331 HydrophobicContact CD2-CG2 4.3Å; L1299-W1334 HydrophobicContact CB-CD2 3.83Å; L1299-W1334 HydrophobicContact CB-CE3 3.82Å; L1299-W1334 HydrophobicContact CB-CH2 3.68Å; L1299-W1334 HydrophobicContact CB-CZ2 3.65Å; L1299-W1334 HydrophobicContact CB-CZ3 3.75Å; L1299-W1334 HydrophobicContact CD1-CB 4.1Å; L1299-W1334 HydrophobicContact CD1-CD2 3.74Å; L1299-W1334 HydrophobicContact CD1-CE3 4.28Å; L1299-W1334 HydrophobicContact CD1-CG 3.62Å; L1299-W1334 HydrophobicContact CG-CD2 4.39Å; L1299-W1334 WeakPolarHBondContact O-CH2 3.49Å; L1299-W1334 WeakPolarHBondContact O-CZ3 3.3Å; L1299-F1335 HydrophobicContact CD2-CE2 3.95Å |
| 1300 | T | 96.7 | Very high | 95 | Very high | 30 Ų | 30 | 77.2 Ų | 77.2 | 18% | 0.184 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.2 | -35.4 | 177.4 | -63.2 | 0 | 0 | 0 | 0 | 112.7 | N1296 R1297 Y1303 Q1304 W1334 K1338 | N1296-T1300 WeakPolarHBondContact O-CB 3.26Å; N1296-T1300 PolarHBondContact O-N 3.02Å; N1296-T1300 PolarHBondContact O-OG1 3.49Å; R1297-T1300 CarbonylContact O-C 2.98Å; R1297-T1300 PolarHBondContact O-N 3.17Å; T1300-Y1303 WeakPolarHBondContact O-CB 3.43Å; T1300-Y1303 PolarHBondContact O-N 2.78Å; T1300-Q1304 HydrophobicContact CG2-CG 4.23Å; T1300-Q1304 WeakPolarHBondContact O-CB 3.49Å; T1300-Q1304 VanDerWaalsContact O-CG 3.27Å; T1300-Q1304 WeakPolarHBondContact O-CG 3.47Å; T1300-Q1304 PolarHBondContact O-N 2.92Å; T1300-W1334 WeakPolarHBondContact OG1-CZ2 3.31Å; T1300-K1338 VanDerWaalsContact CG2-NZ 3.32Å; T1300-K1338 PolarHBondContact OG1-NZ 2.94Å |
| 1301 | E | 97.2 | Very high | 95.4 | Very high | 87 Ų | 87 | 77.3 Ų | 77.3 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.3 | -51.8 | 177.4 | -169.7 | 171.5 | 139 | 0 | 0 | 110.1 | R1297 Y1303 Q1304 L1305 | R1297-E1301 WeakPolarHBondContact CG-OE2 3.25Å; R1297-E1301 IonicContact CZ-OE2 2.7Å; R1297-E1301 IonicContact NH1-OE1 2.82Å; R1297-E1301 IonicContact NH1-OE2 3.72Å; R1297-E1301 PolarHBondContact NH1-OE2 3.35Å; R1297-E1301 VanDerWaalsContact O-CB 3.25Å; R1297-E1301 WeakPolarHBondContact O-CB 3.2Å; R1297-E1301 PolarHBondContact O-N 3.37Å; E1301-Y1303 VanDerWaalsContact C-N 3.31Å; E1301-Y1303 PolarHBondContact O-N 2.79Å; E1301-Q1304 PolarHBondContact O-N 3.01Å; E1301-Q1304 VanDerWaalsContact O-N 3.17Å; E1301-L1305 WeakPolarHBondContact O-CG 3.43Å; E1301-L1305 PolarHBondContact O-N 2.96Å |
| 1302 | W | 97.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 75.5 Ų | 75.5 | 12% | 0.117 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58 | -43 | 171.5 | -170.3 | 105 | 0 | 0 | 0 | 111.5 | I1298 Q1304 L1305 H1306 P1312 D1316 L1320 F1335 | I1298-W1302 PolarHBondContact O-N 2.79Å; I1298-W1302 VanDerWaalsContact O-N 3.17Å; W1302-Q1304 VanDerWaalsContact C-N 3.33Å; W1302-Q1304 PolarHBondContact O-N 3.11Å; W1302-L1305 PolarHBondContact O-N 3.17Å; W1302-H1306 AromaticContact CD1-CE1 3.77Å; W1302-H1306 AromaticContact CD1-ND1 3.88Å; W1302-H1306 HydrophobicContact CD2-CB 4.39Å; W1302-H1306 AromaticContact CD2-CE1 3.85Å; W1302-H1306 AromaticContact CD2-CG 3.93Å; W1302-H1306 AromaticContact CD2-ND1 3.28Å; W1302-H1306 VanDerWaalsContact CD2-ND1 3.28Å; W1302-H1306 AromaticContact CE2-CE1 3.41Å; W1302-H1306 VanDerWaalsContact CE2-CE1 3.41Å; W1302-H1306 AromaticContact CE2-CG 3.76Å; W1302-H1306 AromaticContact CE2-ND1 3.25Å; W1302-H1306 VanDerWaalsContact CE2-ND1 3.25Å; W1302-H1306 AromaticContact CE2-NE2 4Å; W1302-H1306 HydrophobicContact CE3-CB 3.88Å; W1302-H1306 AromaticContact CE3-CG 3.93Å; W1302-H1306 AromaticContact CE3-ND1 3.67Å; W1302-H1306 AromaticContact CG-ND1 3.69Å; W1302-H1306 HydrophobicContact CH2-CB 3.61Å; W1302-H1306 AromaticContact CH2-CD2 3.98Å; W1302-H1306 AromaticContact CH2-CG 3.54Å; W1302-H1306 AromaticContact CH2-ND1 3.91Å; W1302-H1306 HydrophobicContact CZ2-CB 4.18Å; W1302-H1306 AromaticContact CZ2-CD2 3.77Å; W1302-H1306 AromaticContact CZ2-CE1 3.77Å; W1302-H1306 AromaticContact CZ2-CG 3.58Å; W1302-H1306 AromaticContact CZ2-ND1 3.59Å; W1302-H1306 AromaticContact CZ2-NE2 3.91Å; W1302-H1306 HydrophobicContact CZ3-CB 3.46Å; W1302-H1306 VanDerWaalsContact CZ3-CB 3.46Å; W1302-H1306 AromaticContact CZ3-CG 3.75Å; W1302-H1306 AromaticContact CZ3-ND1 3.97Å; W1302-H1306 AromaticContact NE1-CE1 3.4Å; W1302-H1306 PolarHBondContact NE1-CE1 3.47Å; W1302-H1306 AromaticContact NE1-ND1 3.66Å; W1302-H1306 WeakPolarHBondContact O-CB 3.48Å; W1302-H1306 PolarHBondContact O-N 3.13Å; W1302-H1306 PolarHBondContact O-ND1 2.87Å; W1302-P1312 HydrophobicContact CH2-CB 3.56Å; W1302-P1312 HydrophobicContact CH2-CG 4.26Å; W1302-P1312 HydrophobicContact CZ2-CB 3.73Å; W1302-P1312 HydrophobicContact CZ3-CB 4.03Å; W1302-P1312 HydrophobicContact CZ3-CG 4.32Å; W1302-D1316 HydrophobicContact CZ2-CB 4.01Å; W1302-L1320 HydrophobicContact CB-CD1 4.15Å; W1302-L1320 HydrophobicContact CB-CD2 3.84Å; W1302-L1320 HydrophobicContact CD2-CD1 3.8Å; W1302-L1320 HydrophobicContact CE3-CD1 4.41Å; W1302-L1320 HydrophobicContact CG-CD1 3.65Å; W1302-L1320 HydrophobicContact CG-CD2 3.94Å; W1302-L1320 HydrophobicContact CG-CG 4.31Å; W1302-F1335 HydrophobicContact CD2-CE1 4.44Å; W1302-F1335 HydrophobicContact CD2-CZ 4.11Å; W1302-F1335 AromaticContact CE3-CE1 3.37Å; W1302-F1335 HydrophobicContact CE3-CE1 3.37Å; W1302-F1335 AromaticContact CE3-CZ 3.44Å; W1302-F1335 HydrophobicContact CE3-CZ 3.44Å; W1302-F1335 VanDerWaalsContact CE3-CZ 3.44Å; W1302-F1335 HydrophobicContact CZ3-CD1 4.41Å; W1302-F1335 AromaticContact CZ3-CE1 3.58Å; W1302-F1335 HydrophobicContact CZ3-CE1 3.58Å; W1302-F1335 AromaticContact CZ3-CZ 3.99Å; W1302-F1335 HydrophobicContact CZ3-CZ 3.99Å |
| 1303 | Y | 96.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 75.1 Ų | 75.1 | 7% | 0.071 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 178 | -169.2 | -80.7 | 0 | 0 | 0 | 112.9 | L1299 T1300 E1301 H1306 Q1307 P1310 W1334 F1335 K1338 R1339 S1342 | L1299-Y1303 VanDerWaalsContact O-CB 3.26Å; L1299-Y1303 WeakPolarHBondContact O-CB 3.09Å; L1299-Y1303 PolarHBondContact O-N 3.43Å; L1299-Y1303 VanDerWaalsContact O-N 3.13Å; T1300-Y1303 WeakPolarHBondContact O-CB 3.43Å; T1300-Y1303 PolarHBondContact O-N 2.78Å; E1301-Y1303 VanDerWaalsContact C-N 3.31Å; E1301-Y1303 PolarHBondContact O-N 2.79Å; Y1303-H1306 CarbonylContact O-C 3.6Å; Y1303-H1306 PolarHBondContact O-N 2.88Å; Y1303-Q1307 WeakPolarHBondContact O-CG 3.35Å; Y1303-Q1307 PolarHBondContact O-N 2.92Å; Y1303-P1310 HydrophobicContact CD2-CB 4.23Å; Y1303-P1310 HydrophobicContact CE1-CB 4.45Å; Y1303-P1310 HydrophobicContact CE2-CB 3.52Å; Y1303-W1334 HydrophobicContact CD2-CZ3 4.12Å; Y1303-W1334 HydrophobicContact CG-CZ3 4.45Å; Y1303-F1335 AromaticContact CD2-CD1 3.78Å; Y1303-F1335 HydrophobicContact CD2-CD1 3.78Å; Y1303-F1335 AromaticContact CD2-CE1 3.71Å; Y1303-F1335 HydrophobicContact CD2-CE1 3.71Å; Y1303-F1335 HydrophobicContact CE2-CD1 4.35Å; Y1303-F1335 HydrophobicContact CG-CE1 4.46Å; Y1303-K1338 HydrophobicContact CD1-CG 4.06Å; Y1303-K1338 HydrophobicContact CD2-CB 4.13Å; Y1303-K1338 HydrophobicContact CD2-CG 3.42Å; Y1303-K1338 VanDerWaalsContact CD2-CG 3.42Å; Y1303-K1338 HydrophobicContact CE1-CG 4.13Å; Y1303-K1338 HydrophobicContact CE2-CB 4.01Å; Y1303-K1338 HydrophobicContact CE2-CG 3.48Å; Y1303-K1338 VanDerWaalsContact CE2-CG 3.48Å; Y1303-K1338 HydrophobicContact CG-CG 3.75Å; Y1303-R1339 HydrophobicContact CE2-CG 3.95Å; Y1303-S1342 PolarHBondContact OH-OG 3.16Å |
| 1304 | Q | 95.4 | Very high | 95.6 | Very high | 117 Ų | 117 | 73.2 Ų | 73.2 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.5 | -39.5 | 179.3 | -80.2 | 169.9 | -32.7 | 0 | 0 | 111.8 | T1300 E1301 W1302 H1306 Q1307 | T1300-Q1304 HydrophobicContact CG2-CG 4.23Å; T1300-Q1304 WeakPolarHBondContact O-CB 3.49Å; T1300-Q1304 VanDerWaalsContact O-CG 3.27Å; T1300-Q1304 WeakPolarHBondContact O-CG 3.47Å; T1300-Q1304 PolarHBondContact O-N 2.92Å; E1301-Q1304 PolarHBondContact O-N 3.01Å; E1301-Q1304 VanDerWaalsContact O-N 3.17Å; W1302-Q1304 VanDerWaalsContact C-N 3.33Å; W1302-Q1304 PolarHBondContact O-N 3.11Å; Q1304-H1306 VanDerWaalsContact C-N 3.33Å; Q1304-Q1307 WeakPolarHBondContact O-CG 3.37Å; Q1304-Q1307 PolarHBondContact O-NE2 2.75Å |
| 1305 | L | 95.7 | Very high | 95.7 | Very high | 139 Ų | 139 | 73.8 Ų | 73.8 | 73% | 0.728 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65 | -36.8 | 173.1 | -66 | 169.8 | 0 | 0 | 0 | 111.8 | E1301 W1302 | E1301-L1305 WeakPolarHBondContact O-CG 3.43Å; E1301-L1305 PolarHBondContact O-N 2.96Å; W1302-L1305 PolarHBondContact O-N 3.17Å |
| 1306 | H | 95.3 | Very high | 95.7 | Very high | 72 Ų | 72 | 74.5 Ų | 74.5 | 33% | 0.333 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 28.3 | -175.9 | -62 | 87.9 | 0 | 0 | 0 | 114.3 | W1302 Y1303 Q1304 A1308 K1309 P1310 | W1302-H1306 AromaticContact CD1-CE1 3.77Å; W1302-H1306 AromaticContact CD1-ND1 3.88Å; W1302-H1306 HydrophobicContact CD2-CB 4.39Å; W1302-H1306 AromaticContact CD2-CE1 3.85Å; W1302-H1306 AromaticContact CD2-CG 3.93Å; W1302-H1306 AromaticContact CD2-ND1 3.28Å; W1302-H1306 VanDerWaalsContact CD2-ND1 3.28Å; W1302-H1306 AromaticContact CE2-CE1 3.41Å; W1302-H1306 VanDerWaalsContact CE2-CE1 3.41Å; W1302-H1306 AromaticContact CE2-CG 3.76Å; W1302-H1306 AromaticContact CE2-ND1 3.25Å; W1302-H1306 VanDerWaalsContact CE2-ND1 3.25Å; W1302-H1306 AromaticContact CE2-NE2 4Å; W1302-H1306 HydrophobicContact CE3-CB 3.88Å; W1302-H1306 AromaticContact CE3-CG 3.93Å; W1302-H1306 AromaticContact CE3-ND1 3.67Å; W1302-H1306 AromaticContact CG-ND1 3.69Å; W1302-H1306 HydrophobicContact CH2-CB 3.61Å; W1302-H1306 AromaticContact CH2-CD2 3.98Å; W1302-H1306 AromaticContact CH2-CG 3.54Å; W1302-H1306 AromaticContact CH2-ND1 3.91Å; W1302-H1306 HydrophobicContact CZ2-CB 4.18Å; W1302-H1306 AromaticContact CZ2-CD2 3.77Å; W1302-H1306 AromaticContact CZ2-CE1 3.77Å; W1302-H1306 AromaticContact CZ2-CG 3.58Å; W1302-H1306 AromaticContact CZ2-ND1 3.59Å; W1302-H1306 AromaticContact CZ2-NE2 3.91Å; W1302-H1306 HydrophobicContact CZ3-CB 3.46Å; W1302-H1306 VanDerWaalsContact CZ3-CB 3.46Å; W1302-H1306 AromaticContact CZ3-CG 3.75Å; W1302-H1306 AromaticContact CZ3-ND1 3.97Å; W1302-H1306 AromaticContact NE1-CE1 3.4Å; W1302-H1306 PolarHBondContact NE1-CE1 3.47Å; W1302-H1306 AromaticContact NE1-ND1 3.66Å; W1302-H1306 WeakPolarHBondContact O-CB 3.48Å; W1302-H1306 PolarHBondContact O-N 3.13Å; W1302-H1306 PolarHBondContact O-ND1 2.87Å; Y1303-H1306 CarbonylContact O-C 3.6Å; Y1303-H1306 PolarHBondContact O-N 2.88Å; Q1304-H1306 VanDerWaalsContact C-N 3.33Å; H1306-A1308 PolarHBondContact O-N 3.14Å; H1306-A1308 VanDerWaalsContact O-N 3.12Å; H1306-K1309 CarbonylContact O-C 3.51Å; H1306-K1309 PolarHBondContact O-N 2.79Å; H1306-P1310 WeakPolarHBondContact O-CA 3.44Å; H1306-P1310 VanDerWaalsContact O-N 3.09Å |
| 1307 | Q | 92.2 | Very high | 95.7 | Very high | 138 Ų | 138 | 72.1 Ų | 72.1 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.8 | -177.4 | -83.6 | 175.4 | 88 | 0 | 0 | 114.6 | Y1303 Q1304 | Y1303-Q1307 WeakPolarHBondContact O-CG 3.35Å; Y1303-Q1307 PolarHBondContact O-N 2.92Å; Q1304-Q1307 WeakPolarHBondContact O-CG 3.37Å; Q1304-Q1307 PolarHBondContact O-NE2 2.75Å |
| 1308 | A | 88.8 | Confident | 95.7 | Very high | 111 Ų | 111 | 71.1 Ų | 71.1 | 92% | 0.917 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -27.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1306 | H1306-A1308 PolarHBondContact O-N 3.14Å; H1306-A1308 VanDerWaalsContact O-N 3.12Å |
| 1309 | K | 90.8 | Very high | 95.7 | Very high | 154 Ų | 154 | 75.6 Ų | 75.6 | 67% | 0.67 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -140.9 | 75 | 177.3 | -170.4 | -175.4 | 176.1 | -174.6 | 0 | 109.3 | H1306 Y1311 | H1306-K1309 CarbonylContact O-C 3.51Å; H1306-K1309 PolarHBondContact O-N 2.79Å; K1309-Y1311 PolarHBondContact O-N 2.85Å |
| 1310 | P | 93.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 76 Ų | 76 | 12% | 0.117 | 39% | 0.389 | C | S | . | . | | | trans | -77.3 | 37.5 | -173 | 31.9 | -36.2 | 0 | 0 | 0 | 112.9 | Y1303 H1306 R1339 | Y1303-P1310 HydrophobicContact CD2-CB 4.23Å; Y1303-P1310 HydrophobicContact CE1-CB 4.45Å; Y1303-P1310 HydrophobicContact CE2-CB 3.52Å; H1306-P1310 WeakPolarHBondContact O-CA 3.44Å; H1306-P1310 VanDerWaalsContact O-N 3.09Å; P1310-R1339 HydrophobicContact CB-CG 4.05Å; P1310-R1339 HydrophobicContact CG-CG 4.07Å; P1310-R1339 WeakPolarHBondContact O-CD 3.29Å; P1310-R1339 PolarHBondContact O-NH1 3.41Å |
| 1311 | Y | 96.4 | Very high | 95.8 | Very high | 143 Ų | 143 | 75.2 Ų | 75.2 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | | | trans | -124.4 | 88.1 | -176.2 | -65.6 | -95.6 | 0 | 0 | 0 | 107.4 | K1309 | K1309-Y1311 PolarHBondContact O-N 2.85Š|
| 1312 | P | 95.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 77.6 Ų | 77.6 | 14% | 0.143 | 40% | 0.401 | C | S | . | . | | | trans | -58 | 142.9 | 174.3 | 24.8 | -34.3 | 0 | 0 | 0 | 110.1 | W1302 D1316 F1335 | W1302-P1312 HydrophobicContact CH2-CB 3.56Å; W1302-P1312 HydrophobicContact CH2-CG 4.26Å; W1302-P1312 HydrophobicContact CZ2-CB 3.73Å; W1302-P1312 HydrophobicContact CZ3-CB 4.03Å; W1302-P1312 HydrophobicContact CZ3-CG 4.32Å; P1312-D1316 HydrophobicContact CB-CB 3.57Å; P1312-F1335 HydrophobicContact CG-CB 4.42Å; P1312-F1335 HydrophobicContact CG-CD1 3.99Å; P1312-F1335 HydrophobicContact CG-CD2 3.78Å; P1312-F1335 HydrophobicContact CG-CE1 4.2Å; P1312-F1335 HydrophobicContact CG-CE2 3.99Å; P1312-F1335 HydrophobicContact CG-CG 3.78Å; P1312-F1335 HydrophobicContact CG-CZ 4.21Å |
| 1313 | S | 96.7 | Very high | 95.8 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | | | trans | -65.7 | 173.6 | 169.8 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | D1315 D1316 T1317 | S1313-D1315 PolarHBondContact O-N 2.82Å; S1313-D1315 PolarHBondContact OG-N 2.95Å; S1313-D1316 WeakPolarHBondContact CB-OD2 3.26Å; S1313-D1316 PolarHBondContact N-OD2 2.81Å; S1313-D1316 PolarHBondContact OG-N 3.43Å; S1313-D1316 VanDerWaalsContact OG-N 3.08Å; S1313-D1316 PolarHBondContact OG-OD2 2.8Å; S1313-T1317 VanDerWaalsContact O-CB 3.29Å; S1313-T1317 WeakPolarHBondContact O-CB 3.36Å; S1313-T1317 PolarHBondContact O-N 3.15Å; S1313-T1317 PolarHBondContact O-OG1 3.01Å |
| 1314 | T | 96.8 | Very high | 95.8 | Very high | 74 Ų | 74 | 80.2 Ų | 80.2 | 45% | 0.454 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54 | -41.1 | 170.7 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | T1317 K1318 Y1328 | T1314-T1317 PolarHBondContact O-N 3.32Å; T1314-K1318 WeakPolarHBondContact O-CG 3.28Å; T1314-K1318 PolarHBondContact O-N 2.94Å; T1314-K1318 VanDerWaalsContact O-N 3.1Å; T1314-Y1328 WeakPolarHBondContact O-CE2 3.39Å |
| 1315 | D | 97 | Very high | 95.9 | Very high | 97 Ų | 97 | 77.6 Ų | 77.6 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -83.4 | -36.9 | -175.6 | -59.1 | -44.8 | 0 | 0 | 0 | 112.6 | S1313 T1317 K1318 E1319 | S1313-D1315 PolarHBondContact O-N 2.82Å; S1313-D1315 PolarHBondContact OG-N 2.95Å; D1315-T1317 PolarHBondContact O-N 3.15Å; D1315-K1318 WeakPolarHBondContact O-CB 3.43Å; D1315-K1318 PolarHBondContact O-N 3.03Å; D1315-K1318 VanDerWaalsContact O-N 3.12Å; D1315-K1318 WeakPolarHBondContact OD1-CD 3.23Å; D1315-K1318 WeakPolarHBondContact OD1-CE 3.42Å; D1315-K1318 IonicContact OD1-NZ 3.81Å; D1315-K1318 PolarHBondContact OD1-NZ 3.25Å; D1315-E1319 PolarHBondContact O-N 3.12Å |
| 1316 | D | 97.1 | Very high | 95.9 | Very high | 45 Ų | 45 | 71.9 Ų | 71.9 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.7 | -41.1 | 166.4 | -63.6 | -64.6 | 0 | 0 | 0 | 110.9 | W1302 P1312 S1313 E1319 L1320 | W1302-D1316 HydrophobicContact CZ2-CB 4.01Å; P1312-D1316 HydrophobicContact CB-CB 3.57Å; S1313-D1316 WeakPolarHBondContact CB-OD2 3.26Å; S1313-D1316 PolarHBondContact N-OD2 2.81Å; S1313-D1316 PolarHBondContact OG-N 3.43Å; S1313-D1316 VanDerWaalsContact OG-N 3.08Å; S1313-D1316 PolarHBondContact OG-OD2 2.8Å; D1316-E1319 PolarHBondContact O-N 3.45Å; D1316-L1320 VanDerWaalsContact O-CB 3.3Å; D1316-L1320 WeakPolarHBondContact O-CB 3.39Å; D1316-L1320 WeakPolarHBondContact O-CG 3.49Å; D1316-L1320 PolarHBondContact O-N 2.86Å |
| 1317 | T | 97.2 | Very high | 96 | Very high | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.5 | -31.3 | -178.7 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | S1313 T1314 D1315 A1321 Y1328 V1331 K1332 | S1313-T1317 VanDerWaalsContact O-CB 3.29Å; S1313-T1317 WeakPolarHBondContact O-CB 3.36Å; S1313-T1317 PolarHBondContact O-N 3.15Å; S1313-T1317 PolarHBondContact O-OG1 3.01Å; T1314-T1317 PolarHBondContact O-N 3.32Å; D1315-T1317 PolarHBondContact O-N 3.15Å; T1317-A1321 WeakPolarHBondContact O-CB 3.27Å; T1317-A1321 PolarHBondContact O-N 3.1Å; T1317-A1321 VanDerWaalsContact O-N 3.09Å; T1317-Y1328 VanDerWaalsContact CB-CE2 3.46Å; T1317-Y1328 HydrophobicContact CG2-CD2 3.5Å; T1317-Y1328 HydrophobicContact CG2-CE2 3.4Å; T1317-Y1328 HydrophobicContact CG2-CG 4.17Å; T1317-V1331 HydrophobicContact CG2-CB 4.15Å; T1317-V1331 HydrophobicContact CG2-CG1 3.9Å; T1317-K1332 HydrophobicContact CG2-CB 4.34Å |
| 1318 | K | 97.8 | Very high | 96.3 | Very high | 114 Ų | 114 | 68.4 Ų | 68.4 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.4 | -43.8 | 170 | -69.7 | 168.5 | -168.2 | 160 | 0 | 111.7 | T1314 D1315 A1321 N1322 Y1328 | T1314-K1318 WeakPolarHBondContact O-CG 3.28Å; T1314-K1318 PolarHBondContact O-N 2.94Å; T1314-K1318 VanDerWaalsContact O-N 3.1Å; D1315-K1318 WeakPolarHBondContact O-CB 3.43Å; D1315-K1318 PolarHBondContact O-N 3.03Å; D1315-K1318 VanDerWaalsContact O-N 3.12Å; D1315-K1318 WeakPolarHBondContact OD1-CD 3.23Å; D1315-K1318 WeakPolarHBondContact OD1-CE 3.42Å; D1315-K1318 IonicContact OD1-NZ 3.81Å; D1315-K1318 PolarHBondContact OD1-NZ 3.25Å; K1318-A1321 WeakPolarHBondContact O-CB 3.45Å; K1318-A1321 PolarHBondContact O-N 3.23Å; K1318-N1322 PolarHBondContact O-N 2.81Å; K1318-Y1328 HydrophobicContact CG-CD2 4.04Å; K1318-Y1328 HydrophobicContact CG-CE2 4.06Å |
| 1319 | E | 97.7 | Very high | 96.6 | Very high | 115 Ų | 115 | 65.9 Ų | 65.9 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -48 | 179.3 | -168.8 | -173.7 | 164.9 | 0 | 0 | 110.7 | D1315 D1316 A1321 N1322 I1323 | D1315-E1319 PolarHBondContact O-N 3.12Å; D1316-E1319 PolarHBondContact O-N 3.45Å; E1319-A1321 VanDerWaalsContact C-N 3.3Å; E1319-A1321 PolarHBondContact O-N 3.39Å; E1319-N1322 WeakPolarHBondContact O-CB 3.14Å; E1319-N1322 PolarHBondContact O-N 3.46Å; E1319-N1322 VanDerWaalsContact O-N 3.14Å; E1319-I1323 HydrophobicContact CG-CD1 3.72Å; E1319-I1323 HydrophobicContact CG-CG1 4.31Å; E1319-I1323 WeakPolarHBondContact O-CG1 3.36Å; E1319-I1323 PolarHBondContact O-N 2.84Å |
| 1320 | L | 98 | Very high | 96.9 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.6 | -32.8 | 175.9 | -68.8 | 170.4 | 0 | 0 | 0 | 112.7 | I1298 L1299 W1302 D1316 S1324 V1331 F1335 | I1298-L1320 HydrophobicContact CG2-CD2 3.96Å; L1299-L1320 HydrophobicContact CD2-CB 4.04Å; L1299-L1320 HydrophobicContact CD2-CD1 4.48Å; L1299-L1320 HydrophobicContact CD2-CD2 4.48Å; W1302-L1320 HydrophobicContact CB-CD1 4.15Å; W1302-L1320 HydrophobicContact CB-CD2 3.84Å; W1302-L1320 HydrophobicContact CD2-CD1 3.8Å; W1302-L1320 HydrophobicContact CE3-CD1 4.41Å; W1302-L1320 HydrophobicContact CG-CD1 3.65Å; W1302-L1320 HydrophobicContact CG-CD2 3.94Å; W1302-L1320 HydrophobicContact CG-CG 4.31Å; D1316-L1320 VanDerWaalsContact O-CB 3.3Å; D1316-L1320 WeakPolarHBondContact O-CB 3.39Å; D1316-L1320 WeakPolarHBondContact O-CG 3.49Å; D1316-L1320 PolarHBondContact O-N 2.86Å; L1320-S1324 WeakPolarHBondContact O-CB 3.27Å; L1320-S1324 PolarHBondContact O-N 3.23Å; L1320-S1324 PolarHBondContact O-OG 2.84Å; L1320-V1331 HydrophobicContact CB-CG1 4.05Å; L1320-F1335 HydrophobicContact CD1-CE2 3.62Å; L1320-F1335 HydrophobicContact CD1-CZ 3.69Å |
| 1321 | A | 97.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1317 K1318 E1319 G1325 L1326 V1331 | T1317-A1321 WeakPolarHBondContact O-CB 3.27Å; T1317-A1321 PolarHBondContact O-N 3.1Å; T1317-A1321 VanDerWaalsContact O-N 3.09Å; K1318-A1321 WeakPolarHBondContact O-CB 3.45Å; K1318-A1321 PolarHBondContact O-N 3.23Å; E1319-A1321 VanDerWaalsContact C-N 3.3Å; E1319-A1321 PolarHBondContact O-N 3.39Å; A1321-G1325 WeakPolarHBondContact O-CA 3.31Å; A1321-G1325 PolarHBondContact O-N 3.33Å; A1321-L1326 CarbonylContact C-O 3.6Å; A1321-L1326 VanDerWaalsContact CA-O 3.3Å; A1321-L1326 WeakPolarHBondContact CA-O 3.25Å; A1321-L1326 WeakPolarHBondContact CB-O 3.35Å; A1321-L1326 PolarHBondContact O-N 3.35Å; A1321-V1331 HydrophobicContact CB-CG2 4.07Å |
| 1322 | N | 97.5 | Very high | 97.2 | Very high | 138 Ų | 138 | 60.9 Ų | 60.9 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62 | -56 | 176.9 | -170.1 | 19.3 | 0 | 0 | 0 | 112.1 | K1318 E1319 S1324 G1325 | K1318-N1322 PolarHBondContact O-N 2.81Å; E1319-N1322 WeakPolarHBondContact O-CB 3.14Å; E1319-N1322 PolarHBondContact O-N 3.46Å; E1319-N1322 VanDerWaalsContact O-N 3.14Å; N1322-S1324 VanDerWaalsContact C-N 3.29Å; N1322-S1324 PolarHBondContact O-N 3.32Å; N1322-G1325 PolarHBondContact O-N 2.91Å; N1322-G1325 VanDerWaalsContact O-N 3.17Å |
| 1323 | I | 97.3 | Very high | 97.3 | Very high | 95 Ų | 95 | 66.2 Ų | 66.2 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -34.2 | -176.9 | -62.6 | 173.9 | 0 | 0 | 0 | 111.9 | I1298 E1319 | I1298-I1323 HydrophobicContact CD1-CG2 4.01Å; I1298-I1323 WeakPolarHBondContact CD1-O 3.41Å; I1298-I1323 HydrophobicContact CG1-CG2 4.24Å; I1298-I1323 HydrophobicContact CG2-CB 4.4Å; I1298-I1323 HydrophobicContact CG2-CG2 3.87Å; E1319-I1323 HydrophobicContact CG-CD1 3.72Å; E1319-I1323 HydrophobicContact CG-CG1 4.31Å; E1319-I1323 WeakPolarHBondContact O-CG1 3.36Å; E1319-I1323 PolarHBondContact O-N 2.84Å |
| 1324 | S | 96.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 6% | 0.056 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -89.4 | -11.3 | 178.9 | 73.5 | 0 | 0 | 0 | 0 | 114.4 | Q1295 L1320 N1322 L1326 | Q1295-S1324 WeakPolarHBondContact CG-O 3.48Å; Q1295-S1324 PolarHBondContact NE2-O 2.96Å; L1320-S1324 WeakPolarHBondContact O-CB 3.27Å; L1320-S1324 PolarHBondContact O-N 3.23Å; L1320-S1324 PolarHBondContact O-OG 2.84Å; N1322-S1324 VanDerWaalsContact C-N 3.29Å; N1322-S1324 PolarHBondContact O-N 3.32Å; S1324-L1326 VanDerWaalsContact C-N 3.3Å; S1324-L1326 WeakPolarHBondContact OG-CB 3.24Å |
| 1325 | G | 96.9 | Very high | 97.3 | Very high | 62 Ų | 62 | 61.1 Ų | 61.1 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 39 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1321 N1322 | A1321-G1325 WeakPolarHBondContact O-CA 3.31Å; A1321-G1325 PolarHBondContact O-N 3.33Å; N1322-G1325 PolarHBondContact O-N 2.91Å; N1322-G1325 VanDerWaalsContact O-N 3.17Å |
| 1326 | L | 97 | Very high | 97.3 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | | | trans | -120 | 154.7 | 177.2 | -67.2 | 176.9 | 0 | 0 | 0 | 110.1 | F1291 Q1295 L1299 A1321 S1324 Q1330 V1331 | F1291-L1326 HydrophobicContact CD1-CD1 3.56Å; F1291-L1326 HydrophobicContact CD1-CD2 3.62Å; F1291-L1326 HydrophobicContact CD1-CG 4.27Å; F1291-L1326 HydrophobicContact CE1-CD1 3.8Å; F1291-L1326 HydrophobicContact CE1-CD2 3.82Å; F1291-L1326 HydrophobicContact CE1-CG 4.45Å; F1291-L1326 HydrophobicContact CG-CD1 4.27Å; Q1295-L1326 HydrophobicContact CB-CD1 4.1Å; Q1295-L1326 HydrophobicContact CG-CD1 3.97Å; Q1295-L1326 HydrophobicContact CG-CD2 4.34Å; Q1295-L1326 HydrophobicContact CG-CG 3.97Å; Q1295-L1326 VanDerWaalsContact NE2-CD2 3.32Å; L1299-L1326 HydrophobicContact CD1-CD1 3.94Å; A1321-L1326 CarbonylContact C-O 3.6Å; A1321-L1326 VanDerWaalsContact CA-O 3.3Å; A1321-L1326 WeakPolarHBondContact CA-O 3.25Å; A1321-L1326 WeakPolarHBondContact CB-O 3.35Å; A1321-L1326 PolarHBondContact O-N 3.35Å; S1324-L1326 VanDerWaalsContact C-N 3.3Å; S1324-L1326 WeakPolarHBondContact OG-CB 3.24Å; L1326-Q1330 HydrophobicContact CB-CB 4.3Å; L1326-V1331 HydrophobicContact CB-CG2 3.98Å |
| 1327 | S | 97.4 | Very high | 97.2 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | | | trans | -69.3 | 149.5 | 175.7 | 80.7 | 0 | 0 | 0 | 0 | 111.5 | S1329 Q1330 V1331 | S1327-S1329 PolarHBondContact O-N 2.9Å; S1327-S1329 VanDerWaalsContact O-N 3.12Å; S1327-S1329 PolarHBondContact OG-OG 2.82Å; S1327-Q1330 WeakPolarHBondContact O-CA 3.46Å; S1327-Q1330 WeakPolarHBondContact O-CB 3.12Å; S1327-Q1330 PolarHBondContact O-N 2.95Å; S1327-Q1330 WeakPolarHBondContact OG-CG 3.44Å; S1327-Q1330 PolarHBondContact OG-N 3.41Å; S1327-Q1330 VanDerWaalsContact OG-N 3.17Å; S1327-V1331 PolarHBondContact O-N 3.13Å |
| 1328 | Y | 97.5 | Very high | 97.2 | Very high | 84 Ų | 84 | 63.3 Ų | 63.3 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -48.6 | -40.1 | 174.1 | -178.7 | -97.6 | 0 | 0 | 0 | 112.6 | T1314 T1317 K1318 V1331 K1332 | T1314-Y1328 WeakPolarHBondContact O-CE2 3.39Å; T1317-Y1328 VanDerWaalsContact CB-CE2 3.46Å; T1317-Y1328 HydrophobicContact CG2-CD2 3.5Å; T1317-Y1328 HydrophobicContact CG2-CE2 3.4Å; T1317-Y1328 HydrophobicContact CG2-CG 4.17Å; K1318-Y1328 HydrophobicContact CG-CD2 4.04Å; K1318-Y1328 HydrophobicContact CG-CE2 4.06Å; Y1328-V1331 PolarHBondContact O-N 3.14Å; Y1328-K1332 HydrophobicContact CE1-CD 4.37Å; Y1328-K1332 WeakPolarHBondContact O-CB 3.35Å; Y1328-K1332 PolarHBondContact O-N 3.4Å |
| 1329 | S | 96.7 | Very high | 97.1 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74 | -30.5 | 177.9 | 73.8 | 0 | 0 | 0 | 0 | 113.4 | S1327 K1333 | S1327-S1329 PolarHBondContact O-N 2.9Å; S1327-S1329 VanDerWaalsContact O-N 3.12Å; S1327-S1329 PolarHBondContact OG-OG 2.82Å; S1329-K1333 VanDerWaalsContact O-CB 3.25Å; S1329-K1333 WeakPolarHBondContact O-CB 3.37Å; S1329-K1333 VanDerWaalsContact O-CD 3.3Å; S1329-K1333 WeakPolarHBondContact O-CD 3.4Å; S1329-K1333 WeakPolarHBondContact O-CG 3.26Å; S1329-K1333 PolarHBondContact O-N 3.32Å |
| 1330 | Q | 97 | Very high | 96.8 | Very high | 78 Ų | 78 | 57.9 Ų | 57.9 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 169.7 | -75.6 | 168.7 | -23.2 | 0 | 0 | 111.3 | F1291 L1326 S1327 K1333 W1334 | F1291-Q1330 HydrophobicContact CE1-CB 4.22Å; F1291-Q1330 HydrophobicContact CE1-CG 4.43Å; F1291-Q1330 HydrophobicContact CZ-CB 4.39Å; L1326-Q1330 HydrophobicContact CB-CB 4.3Å; S1327-Q1330 WeakPolarHBondContact O-CA 3.46Å; S1327-Q1330 WeakPolarHBondContact O-CB 3.12Å; S1327-Q1330 PolarHBondContact O-N 2.95Å; S1327-Q1330 WeakPolarHBondContact OG-CG 3.44Å; S1327-Q1330 PolarHBondContact OG-N 3.41Å; S1327-Q1330 VanDerWaalsContact OG-N 3.17Å; Q1330-K1333 PolarHBondContact O-N 3.23Å; Q1330-W1334 WeakPolarHBondContact O-CB 3.46Å; Q1330-W1334 PolarHBondContact O-N 3.26Å |
| 1331 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -50.8 | 177.2 | 178 | 0 | 0 | 0 | 0 | 110.9 | L1299 T1317 L1320 A1321 L1326 S1327 Y1328 K1333 W1334 F1335 | L1299-V1331 HydrophobicContact CD2-CG1 3.91Å; L1299-V1331 HydrophobicContact CD2-CG2 4.3Å; T1317-V1331 HydrophobicContact CG2-CB 4.15Å; T1317-V1331 HydrophobicContact CG2-CG1 3.9Å; L1320-V1331 HydrophobicContact CB-CG1 4.05Å; A1321-V1331 HydrophobicContact CB-CG2 4.07Å; L1326-V1331 HydrophobicContact CB-CG2 3.98Å; S1327-V1331 PolarHBondContact O-N 3.13Å; Y1328-V1331 PolarHBondContact O-N 3.14Å; V1331-K1333 VanDerWaalsContact C-N 3.27Å; V1331-K1333 PolarHBondContact O-N 3.06Å; V1331-W1334 WeakPolarHBondContact O-CB 3.47Å; V1331-W1334 PolarHBondContact O-N 3.13Å; V1331-F1335 HydrophobicContact CG1-CD2 3.77Å; V1331-F1335 HydrophobicContact CG1-CE2 3.75Å; V1331-F1335 WeakPolarHBondContact O-CD2 3.41Å; V1331-F1335 PolarHBondContact O-N 3.12Å |
| 1332 | K | 97.2 | Very high | 96.1 | Very high | 131 Ų | 131 | 68 Ų | 68 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.3 | -40.1 | 176.3 | -167.9 | 171.7 | -178.9 | 177.5 | 0 | 112 | T1317 Y1328 A1336 | T1317-K1332 HydrophobicContact CG2-CB 4.34Å; Y1328-K1332 HydrophobicContact CE1-CD 4.37Å; Y1328-K1332 WeakPolarHBondContact O-CB 3.35Å; Y1328-K1332 PolarHBondContact O-N 3.4Å; K1332-A1336 PolarHBondContact O-N 2.81Å |
| 1333 | K | 97 | Very high | 94.9 | Very high | 135 Ų | 135 | 66.7 Ų | 66.7 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.9 | -38.2 | 173.6 | -74.1 | 166.9 | -174.9 | 168.1 | 0 | 112.6 | S1329 Q1330 V1331 N1337 | S1329-K1333 VanDerWaalsContact O-CB 3.25Å; S1329-K1333 WeakPolarHBondContact O-CB 3.37Å; S1329-K1333 VanDerWaalsContact O-CD 3.3Å; S1329-K1333 WeakPolarHBondContact O-CD 3.4Å; S1329-K1333 WeakPolarHBondContact O-CG 3.26Å; S1329-K1333 PolarHBondContact O-N 3.32Å; Q1330-K1333 PolarHBondContact O-N 3.23Å; V1331-K1333 VanDerWaalsContact C-N 3.27Å; V1331-K1333 PolarHBondContact O-N 3.06Å; K1333-N1337 PolarHBondContact O-N 3.49Å; K1333-N1337 VanDerWaalsContact O-N 3.11Å; K1333-N1337 PolarHBondContact O-ND2 3.25Å |
| 1334 | W | 97.2 | Very high | 93.1 | Very high | 22 Ų | 22 | 67 Ų | 67 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 175.2 | -174.2 | 105.4 | 0 | 0 | 0 | 110.7 | F1291 N1296 L1299 T1300 Y1303 Q1330 V1331 A1336 N1337 K1338 | F1291-W1334 AromaticContact CD2-CD1 3.64Å; F1291-W1334 HydrophobicContact CE2-CB 4.46Å; F1291-W1334 AromaticContact CE2-CD1 3.62Å; F1291-W1334 HydrophobicContact CE2-CG 4.45Å; N1296-W1334 PolarHBondContact OD1-NE1 3.38Å; N1296-W1334 VanDerWaalsContact OD1-NE1 3.16Å; L1299-W1334 HydrophobicContact CB-CD2 3.83Å; L1299-W1334 HydrophobicContact CB-CE3 3.82Å; L1299-W1334 HydrophobicContact CB-CH2 3.68Å; L1299-W1334 HydrophobicContact CB-CZ2 3.65Å; L1299-W1334 HydrophobicContact CB-CZ3 3.75Å; L1299-W1334 HydrophobicContact CD1-CB 4.1Å; L1299-W1334 HydrophobicContact CD1-CD2 3.74Å; L1299-W1334 HydrophobicContact CD1-CE3 4.28Å; L1299-W1334 HydrophobicContact CD1-CG 3.62Å; L1299-W1334 HydrophobicContact CG-CD2 4.39Å; L1299-W1334 WeakPolarHBondContact O-CH2 3.49Å; L1299-W1334 WeakPolarHBondContact O-CZ3 3.3Å; T1300-W1334 WeakPolarHBondContact OG1-CZ2 3.31Å; Y1303-W1334 HydrophobicContact CD2-CZ3 4.12Å; Y1303-W1334 HydrophobicContact CG-CZ3 4.45Å; Q1330-W1334 WeakPolarHBondContact O-CB 3.46Å; Q1330-W1334 PolarHBondContact O-N 3.26Å; V1331-W1334 WeakPolarHBondContact O-CB 3.47Å; V1331-W1334 PolarHBondContact O-N 3.13Å; W1334-A1336 PolarHBondContact O-N 2.97Å; W1334-N1337 CarbonylContact O-C 2.85Å; W1334-N1337 PolarHBondContact O-N 3.32Å; W1334-N1337 VanDerWaalsContact O-N 3.17Å; W1334-K1338 HydrophobicContact CD2-CB 4.36Å; W1334-K1338 HydrophobicContact CE3-CB 3.86Å; W1334-K1338 HydrophobicContact CE3-CG 4.3Å; W1334-K1338 HydrophobicContact CH2-CB 4Å; W1334-K1338 HydrophobicContact CH2-CD 3.42Å; W1334-K1338 VanDerWaalsContact CH2-CD 3.42Å; W1334-K1338 HydrophobicContact CH2-CG 3.55Å; W1334-K1338 HydrophobicContact CZ2-CD 3.75Å; W1334-K1338 HydrophobicContact CZ2-CG 4.25Å; W1334-K1338 HydrophobicContact CZ3-CB 3.66Å; W1334-K1338 HydrophobicContact CZ3-CD 4.01Å; W1334-K1338 HydrophobicContact CZ3-CG 3.59Å; W1334-K1338 WeakPolarHBondContact O-CB 3.3Å; W1334-K1338 PolarHBondContact O-N 2.98Å |
| 1335 | F | 97.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.009 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 179.2 | -86.8 | -79.8 | 0 | 0 | 0 | 113.3 | L1299 W1302 Y1303 P1312 L1320 V1331 N1337 K1338 R1339 | L1299-F1335 HydrophobicContact CD2-CE2 3.95Å; W1302-F1335 HydrophobicContact CD2-CE1 4.44Å; W1302-F1335 HydrophobicContact CD2-CZ 4.11Å; W1302-F1335 AromaticContact CE3-CE1 3.37Å; W1302-F1335 HydrophobicContact CE3-CE1 3.37Å; W1302-F1335 AromaticContact CE3-CZ 3.44Å; W1302-F1335 HydrophobicContact CE3-CZ 3.44Å; W1302-F1335 VanDerWaalsContact CE3-CZ 3.44Å; W1302-F1335 HydrophobicContact CZ3-CD1 4.41Å; W1302-F1335 AromaticContact CZ3-CE1 3.58Å; W1302-F1335 HydrophobicContact CZ3-CE1 3.58Å; W1302-F1335 AromaticContact CZ3-CZ 3.99Å; W1302-F1335 HydrophobicContact CZ3-CZ 3.99Å; Y1303-F1335 AromaticContact CD2-CD1 3.78Å; Y1303-F1335 HydrophobicContact CD2-CD1 3.78Å; Y1303-F1335 AromaticContact CD2-CE1 3.71Å; Y1303-F1335 HydrophobicContact CD2-CE1 3.71Å; Y1303-F1335 HydrophobicContact CE2-CD1 4.35Å; Y1303-F1335 HydrophobicContact CG-CE1 4.46Å; P1312-F1335 HydrophobicContact CG-CB 4.42Å; P1312-F1335 HydrophobicContact CG-CD1 3.99Å; P1312-F1335 HydrophobicContact CG-CD2 3.78Å; P1312-F1335 HydrophobicContact CG-CE1 4.2Å; P1312-F1335 HydrophobicContact CG-CE2 3.99Å; P1312-F1335 HydrophobicContact CG-CG 3.78Å; P1312-F1335 HydrophobicContact CG-CZ 4.21Å; L1320-F1335 HydrophobicContact CD1-CE2 3.62Å; L1320-F1335 HydrophobicContact CD1-CZ 3.69Å; V1331-F1335 HydrophobicContact CG1-CD2 3.77Å; V1331-F1335 HydrophobicContact CG1-CE2 3.75Å; V1331-F1335 WeakPolarHBondContact O-CD2 3.41Å; V1331-F1335 PolarHBondContact O-N 3.12Å; F1335-N1337 PolarHBondContact O-N 3.33Å; F1335-K1338 PolarHBondContact O-N 2.98Å; F1335-R1339 WeakPolarHBondContact O-CB 3.34Å; F1335-R1339 WeakPolarHBondContact O-CG 3.31Å; F1335-R1339 PolarHBondContact O-N 3.26Å |
| 1336 | A | 96.3 | Very high | 88.6 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | K1332 W1334 A1340 | K1332-A1336 PolarHBondContact O-N 2.81Å; W1334-A1336 PolarHBondContact O-N 2.97Å; A1336-A1340 WeakPolarHBondContact O-CB 3.25Å; A1336-A1340 PolarHBondContact O-N 3.26Å; A1336-A1340 VanDerWaalsContact O-N 3.13Å |
| 1337 | N | 96 | Very high | 86.2 | Confident | 89 Ų | 89 | 77.8 Ų | 77.8 | 48% | 0.476 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 177.4 | -79.4 | -77.8 | 0 | 0 | 0 | 113.1 | K1333 W1334 F1335 R1341 | K1333-N1337 PolarHBondContact O-N 3.49Å; K1333-N1337 VanDerWaalsContact O-N 3.11Å; K1333-N1337 PolarHBondContact O-ND2 3.25Å; W1334-N1337 CarbonylContact O-C 2.85Å; W1334-N1337 PolarHBondContact O-N 3.32Å; W1334-N1337 VanDerWaalsContact O-N 3.17Å; F1335-N1337 PolarHBondContact O-N 3.33Å; N1337-R1341 WeakPolarHBondContact O-CD 3.47Å; N1337-R1341 VanDerWaalsContact O-CG 3.28Å; N1337-R1341 WeakPolarHBondContact O-CG 3.35Å; N1337-R1341 PolarHBondContact O-N 3.02Å; N1337-R1341 VanDerWaalsContact O-N 3.15Å |
| 1338 | K | 95.9 | Very high | 83.5 | Confident | 57 Ų | 57 | 80.2 Ų | 80.2 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 177.8 | -174.2 | 77.5 | 169.2 | -156.7 | 0 | 110.6 | T1300 Y1303 W1334 F1335 R1341 S1342 | T1300-K1338 VanDerWaalsContact CG2-NZ 3.32Å; T1300-K1338 PolarHBondContact OG1-NZ 2.94Å; Y1303-K1338 HydrophobicContact CD1-CG 4.06Å; Y1303-K1338 HydrophobicContact CD2-CB 4.13Å; Y1303-K1338 HydrophobicContact CD2-CG 3.42Å; Y1303-K1338 VanDerWaalsContact CD2-CG 3.42Å; Y1303-K1338 HydrophobicContact CE1-CG 4.13Å; Y1303-K1338 HydrophobicContact CE2-CB 4.01Å; Y1303-K1338 HydrophobicContact CE2-CG 3.48Å; Y1303-K1338 VanDerWaalsContact CE2-CG 3.48Å; Y1303-K1338 HydrophobicContact CG-CG 3.75Å; W1334-K1338 HydrophobicContact CD2-CB 4.36Å; W1334-K1338 HydrophobicContact CE3-CB 3.86Å; W1334-K1338 HydrophobicContact CE3-CG 4.3Å; W1334-K1338 HydrophobicContact CH2-CB 4Å; W1334-K1338 HydrophobicContact CH2-CD 3.42Å; W1334-K1338 VanDerWaalsContact CH2-CD 3.42Å; W1334-K1338 HydrophobicContact CH2-CG 3.55Å; W1334-K1338 HydrophobicContact CZ2-CD 3.75Å; W1334-K1338 HydrophobicContact CZ2-CG 4.25Å; W1334-K1338 HydrophobicContact CZ3-CB 3.66Å; W1334-K1338 HydrophobicContact CZ3-CD 4.01Å; W1334-K1338 HydrophobicContact CZ3-CG 3.59Å; W1334-K1338 WeakPolarHBondContact O-CB 3.3Å; W1334-K1338 PolarHBondContact O-N 2.98Å; F1335-K1338 PolarHBondContact O-N 2.98Å; K1338-R1341 PolarHBondContact O-N 3.07Å; K1338-S1342 PolarHBondContact O-N 3.33Å; K1338-S1342 PolarHBondContact O-OG 3.39Å |
| 1339 | R | 95.6 | Very high | 81.1 | Confident | 52 Ų | 52 | 85.4 Ų | 85.4 | 20% | 0.196 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -54.4 | -56.8 | 173.1 | -76.8 | -166.9 | -61.9 | -90.3 | 2.7 | 111 | Y1303 P1310 F1335 R1341 S1342 T1343 | Y1303-R1339 HydrophobicContact CE2-CG 3.95Å; P1310-R1339 HydrophobicContact CB-CG 4.05Å; P1310-R1339 HydrophobicContact CG-CG 4.07Å; P1310-R1339 WeakPolarHBondContact O-CD 3.29Å; P1310-R1339 PolarHBondContact O-NH1 3.41Å; F1335-R1339 WeakPolarHBondContact O-CB 3.34Å; F1335-R1339 WeakPolarHBondContact O-CG 3.31Å; F1335-R1339 PolarHBondContact O-N 3.26Å; R1339-R1341 PolarHBondContact O-N 3.01Å; R1339-R1341 VanDerWaalsContact O-N 3.15Å; R1339-S1342 PolarHBondContact O-N 3.3Å; R1339-S1342 PolarHBondContact O-OG 3.26Å; R1339-T1343 PolarHBondContact O-N 2.73Å; R1339-T1343 PolarHBondContact O-OG1 2.89Å; R1339-T1343 VanDerWaalsContact O-OG1 3.1Å |
| 1340 | A | 93.4 | Very high | 78.4 | Confident | 64 Ų | 64 | 88 Ų | 88 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.5 | -33.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1336 T1343 | A1336-A1340 WeakPolarHBondContact O-CB 3.25Å; A1336-A1340 PolarHBondContact O-N 3.26Å; A1336-A1340 VanDerWaalsContact O-N 3.13Å; A1340-T1343 PolarHBondContact O-OG1 3.41Å; A1340-T1343 VanDerWaalsContact O-OG1 3.13Å |
| 1341 | R | 92.6 | Very high | 75.9 | Confident | 187 Ų | 187 | 89 Ų | 89 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.2 | -44.1 | 174.2 | -70.8 | 167.5 | -177.1 | -96.9 | -1.9 | 112.2 | N1337 K1338 R1339 S1344 S1345 | N1337-R1341 WeakPolarHBondContact O-CD 3.47Å; N1337-R1341 VanDerWaalsContact O-CG 3.28Å; N1337-R1341 WeakPolarHBondContact O-CG 3.35Å; N1337-R1341 PolarHBondContact O-N 3.02Å; N1337-R1341 VanDerWaalsContact O-N 3.15Å; K1338-R1341 PolarHBondContact O-N 3.07Å; R1339-R1341 PolarHBondContact O-N 3.01Å; R1339-R1341 VanDerWaalsContact O-N 3.15Å; R1341-S1344 PolarHBondContact O-N 3Å; R1341-S1345 PolarHBondContact O-OG 3.36Å |
| 1342 | S | 87.2 | Confident | 73.4 | Confident | 46 Ų | 46 | 94 Ų | 94 | 32% | 0.322 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -35.5 | -180 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | Y1303 K1338 R1339 S1344 S1345 | Y1303-S1342 PolarHBondContact OH-OG 3.16Å; K1338-S1342 PolarHBondContact O-N 3.33Å; K1338-S1342 PolarHBondContact O-OG 3.39Å; R1339-S1342 PolarHBondContact O-N 3.3Å; R1339-S1342 PolarHBondContact O-OG 3.26Å; S1342-S1344 PolarHBondContact O-N 2.89Å; S1342-S1344 VanDerWaalsContact O-N 3.13Å; S1342-S1345 VanDerWaalsContact O-CB 3.25Å; S1342-S1345 WeakPolarHBondContact O-CB 3.18Å; S1342-S1345 PolarHBondContact O-N 3.39Å; S1342-S1345 PolarHBondContact O-OG 3.1Å |
| 1343 | T | 72.7 | Confident | 70.7 | Confident | 110 Ų | 110 | 93.7 Ų | 93.7 | 68% | 0.675 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.8 | 176.3 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | R1339 A1340 | R1339-T1343 PolarHBondContact O-N 2.73Å; R1339-T1343 PolarHBondContact O-OG1 2.89Å; R1339-T1343 VanDerWaalsContact O-OG1 3.1Å; A1340-T1343 PolarHBondContact O-OG1 3.41Å; A1340-T1343 VanDerWaalsContact O-OG1 3.13Å |
| 1344 | S | 59.9 | Low | 67.9 | Low | 103 Ų | 103 | 93.7 Ų | 93.7 | 72% | 0.72 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -3.3 | 172.5 | -158.7 | 0 | 0 | 0 | 0 | 112.8 | R1341 S1342 G1346 | R1341-S1344 PolarHBondContact O-N 3Å; S1342-S1344 PolarHBondContact O-N 2.89Å; S1342-S1344 VanDerWaalsContact O-N 3.13Å; S1344-G1346 VanDerWaalsContact C-N 3.32Å; S1344-G1346 PolarHBondContact O-N 3Å |
| 1345 | S | 53.6 | Low | 65.4 | Low | 91 Ų | 91 | 95.2 Ų | 95.2 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -86.8 | 65.4 | -172.1 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | R1341 S1342 L1347 | R1341-S1345 PolarHBondContact O-OG 3.36Å; S1342-S1345 VanDerWaalsContact O-CB 3.25Å; S1342-S1345 WeakPolarHBondContact O-CB 3.18Å; S1342-S1345 PolarHBondContact O-N 3.39Å; S1342-S1345 PolarHBondContact O-OG 3.1Å; S1345-L1347 PolarHBondContact O-N 3.09Å |
| 1346 | G | 44.9 | Very low | 62.8 | Low | 76 Ų | 76 | 101.4 Ų | 101.4 | 78% | 0.784 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 74.3 | -24.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | S1344 | S1344-G1346 VanDerWaalsContact C-N 3.32Å; S1344-G1346 PolarHBondContact O-N 3Å |
| 1347 | L | 46.4 | Very low | 60 | Low | 148 Ų | 148 | 105.3 Ų | 105.3 | 78% | 0.775 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -72.9 | 124.8 | 173.6 | -156.9 | 72.8 | 0 | 0 | 0 | 109 | S1345 K1349 | S1345-L1347 PolarHBondContact O-N 3.09Å; L1347-K1349 PolarHBondContact O-N 2.97Å |
| 1348 | P | 40.3 | Very low | 57.5 | Low | 104 Ų | 104 | 105.8 Ų | 105.8 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | | | trans | -58.7 | 133.3 | 174.9 | 25 | -33.1 | 0 | 0 | 0 | 108.6 | P1350 | P1348-P1350 VanDerWaalsContact O-N 3.09Š|
| 1349 | K | 47.6 | Very low | 54.9 | Low | 193 Ų | 193 | 107.6 Ų | 107.6 | 84% | 0.839 | 66% | 0.655 | S | S | * | * | | | trans | -45.6 | 120.5 | 172.3 | -179.5 | -177.8 | -176.9 | -177.4 | 0 | 107.3 | L1347 T1351 | L1347-K1349 PolarHBondContact O-N 2.97Å; K1349-T1351 PolarHBondContact O-N 2.99Å |
| 1350 | P | 40.2 | Very low | 52.7 | Low | 112 Ų | 112 | 109 Ų | 109 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | | | trans | -56.6 | 120.4 | -177.4 | 22.7 | -32.6 | 0 | 0 | 0 | 107.3 | P1348 | P1348-P1350 VanDerWaalsContact O-N 3.09Š|
| 1351 | T | 44.2 | Very low | 50.5 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 61% | 0.613 | 66% | 0.658 | S | S | * | * | | | trans | -51.7 | 134.7 | 173.7 | -37.7 | 0 | 0 | 0 | 0 | 106.6 | K1349 L1354 | K1349-T1351 PolarHBondContact O-N 2.99Å; T1351-L1354 HydrophobicContact CG2-CD1 3.65Å |
| 1352 | P | 44.8 | Very low | 48.9 | Very low | 105 Ų | 105 | 105 Ų | 105 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -45.8 | 130.4 | 168.3 | -26 | 34.6 | 0 | 0 | 0 | 107.5 | L1354 | P1352-L1354 PolarHBondContact O-N 2.9Š|
| 1353 | P | 41.8 | Very low | 47.1 | Very low | 125 Ų | 125 | 106.8 Ų | 106.8 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 118.3 | -165.3 | 20.6 | -33.2 | 0 | 0 | 0 | 108.2 | A1355 | P1353-A1355 PolarHBondContact O-N 3.38Å; P1353-A1355 VanDerWaalsContact O-N 3.09Å |
| 1354 | L | 38.4 | Very low | 46 | Very low | 135 Ų | 135 | 104.2 Ų | 104.2 | 71% | 0.707 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 124.3 | -174.3 | -84.6 | 72.6 | 0 | 0 | 0 | 107.1 | T1351 P1352 | T1351-L1354 HydrophobicContact CG2-CD1 3.65Å; P1352-L1354 PolarHBondContact O-N 2.9Å |
| 1355 | A | 43.2 | Very low | 45.8 | Very low | 54 Ų | 54 | 101.1 Ų | 101.1 | 45% | 0.446 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -52 | 134.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | P1353 D1357 | P1353-A1355 PolarHBondContact O-N 3.38Å; P1353-A1355 VanDerWaalsContact O-N 3.09Å; A1355-D1357 WeakPolarHBondContact CB-OD1 3.22Å; A1355-D1357 PolarHBondContact O-N 2.98Å |
| 1356 | P | 43 | Very low | 45.9 | Very low | 132 Ų | 132 | 99.7 Ų | 99.7 | 86% | 0.857 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 16.5 | -164.3 | 29.9 | -36.7 | 0 | 0 | 0 | 114.5 | | |
| 1357 | D | 37.9 | Very low | 46.7 | Very low | 129 Ų | 129 | 98.6 Ų | 98.6 | 69% | 0.69 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.1 | 29 | -156.6 | 55.4 | -8.7 | 0 | 0 | 0 | 115.1 | A1355 | A1355-D1357 WeakPolarHBondContact CB-OD1 3.22Å; A1355-D1357 PolarHBondContact O-N 2.98Å |
| 1358 | S | 43.9 | Very low | 47.6 | Very low | 98 Ų | 98 | 97 Ų | 97 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | | | trans | -134.7 | 61.3 | 177.8 | 83.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1359 | S | 40.9 | Very low | 49.1 | Very low | 96 Ų | 96 | 96.6 Ų | 96.6 | 67% | 0.671 | 60% | 0.603 | S | S | * | * | | | trans | -128.7 | 32.8 | 161.9 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | D1361 | S1359-D1361 PolarHBondContact O-N 3.39Å; S1359-D1361 VanDerWaalsContact O-N 3.12Å |
| 1360 | T | 49.1 | Very low | 50 | Low | 82 Ų | 82 | 90.2 Ų | 90.2 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | | | trans | -68.6 | 105.9 | 158.8 | -47 | 0 | 0 | 0 | 0 | 108.1 | A1365 L1368 | T1360-A1365 HydrophobicContact CG2-CB 3.88Å; T1360-L1368 HydrophobicContact CG2-CD1 4.26Å |
| 1361 | D | 46.9 | Very low | 51.1 | Low | 56 Ų | 56 | 87.5 Ų | 87.5 | 30% | 0.299 | 57% | 0.573 | S | S | . | * | | | trans | -48.2 | 138.6 | 173.5 | 138 | 62.2 | 0 | 0 | 0 | 110.4 | F394 S1359 S1363 S1364 A1365 | F394-D1361 HydrophobicContact CE2-CB 4.35Å; F394-D1361 HydrophobicContact CZ-CB 4.42Å; S1359-D1361 PolarHBondContact O-N 3.39Å; S1359-D1361 VanDerWaalsContact O-N 3.12Å; D1361-S1363 PolarHBondContact O-N 2.8Å; D1361-S1363 VanDerWaalsContact O-N 3.09Å; D1361-S1363 PolarHBondContact OD1-N 3.36Å; D1361-S1363 VanDerWaalsContact OD1-N 3.09Å; D1361-S1363 WeakPolarHBondContact OD2-CB 3.18Å; D1361-S1364 CarbonylContact O-C 3.44Å; D1361-S1364 WeakPolarHBondContact O-CA 3.32Å; D1361-S1364 WeakPolarHBondContact O-CB 3.2Å; D1361-S1364 PolarHBondContact O-N 3.3Å; D1361-S1364 WeakPolarHBondContact OD2-CB 3.33Å; D1361-S1364 PolarHBondContact OD2-N 2.94Å; D1361-S1364 PolarHBondContact OD2-OG 3.39Å; D1361-A1365 PolarHBondContact O-N 3.47Å |
| 1362 | P | 59 | Low | 52.1 | Low | 110 Ų | 110 | 85.7 Ų | 85.7 | 71% | 0.714 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.2 | -27.1 | -176 | 21.9 | -34.3 | 0 | 0 | 0 | 113.9 | A1366 | P1362-A1366 VanDerWaalsContact O-CB 3.28Å; P1362-A1366 WeakPolarHBondContact O-CB 3.42Å; P1362-A1366 PolarHBondContact O-N 2.88Å |
| 1363 | S | 49.2 | Very low | 53.2 | Low | 84 Ų | 84 | 84.8 Ų | 84.8 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69 | -46.3 | 170.7 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | D1361 A1365 A1366 A1367 | D1361-S1363 PolarHBondContact O-N 2.8Å; D1361-S1363 VanDerWaalsContact O-N 3.09Å; D1361-S1363 PolarHBondContact OD1-N 3.36Å; D1361-S1363 VanDerWaalsContact OD1-N 3.09Å; D1361-S1363 WeakPolarHBondContact OD2-CB 3.18Å; S1363-A1365 VanDerWaalsContact C-N 3.33Å; S1363-A1365 PolarHBondContact O-N 3.45Å; S1363-A1366 PolarHBondContact O-N 3.09Å; S1363-A1367 VanDerWaalsContact O-CB 3.26Å; S1363-A1367 WeakPolarHBondContact O-CB 3.28Å; S1363-A1367 PolarHBondContact O-N 3.28Å |
| 1364 | S | 50.1 | Low | 54.1 | Low | 56 Ų | 56 | 81.1 Ų | 81.1 | 39% | 0.392 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -30.2 | 173.9 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | D1361 L1368 | D1361-S1364 CarbonylContact O-C 3.44Å; D1361-S1364 WeakPolarHBondContact O-CA 3.32Å; D1361-S1364 WeakPolarHBondContact O-CB 3.2Å; D1361-S1364 PolarHBondContact O-N 3.3Å; D1361-S1364 WeakPolarHBondContact OD2-CB 3.33Å; D1361-S1364 PolarHBondContact OD2-N 2.94Å; D1361-S1364 PolarHBondContact OD2-OG 3.39Å; S1364-L1368 WeakPolarHBondContact O-CB 3.49Å; S1364-L1368 PolarHBondContact O-N 3.36Å |
| 1365 | A | 55.8 | Low | 54.9 | Low | 37 Ų | 37 | 77.3 Ų | 77.3 | 31% | 0.306 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74.6 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1360 D1361 S1363 A1367 L1368 V1369 | T1360-A1365 HydrophobicContact CG2-CB 3.88Å; D1361-A1365 PolarHBondContact O-N 3.47Å; S1363-A1365 VanDerWaalsContact C-N 3.33Å; S1363-A1365 PolarHBondContact O-N 3.45Å; A1365-A1367 VanDerWaalsContact C-N 3.29Å; A1365-A1367 PolarHBondContact O-N 2.76Å; A1365-L1368 PolarHBondContact O-N 3.12Å; A1365-V1369 WeakPolarHBondContact O-CB 3.46Å; A1365-V1369 WeakPolarHBondContact O-CG2 3.29Å; A1365-V1369 PolarHBondContact O-N 3.26Å |
| 1366 | A | 55.7 | Low | 55.5 | Low | 61 Ų | 61 | 77.5 Ų | 77.5 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1362 S1363 A1370 | P1362-A1366 VanDerWaalsContact O-CB 3.28Å; P1362-A1366 WeakPolarHBondContact O-CB 3.42Å; P1362-A1366 PolarHBondContact O-N 2.88Å; S1363-A1366 PolarHBondContact O-N 3.09Å; A1366-A1370 WeakPolarHBondContact O-CB 3.19Å; A1366-A1370 PolarHBondContact O-N 2.84Å |
| 1367 | A | 62.3 | Low | 56 | Low | 54 Ų | 54 | 75.6 Ų | 75.6 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.8 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1363 A1365 A1371 | S1363-A1367 VanDerWaalsContact O-CB 3.26Å; S1363-A1367 WeakPolarHBondContact O-CB 3.28Å; S1363-A1367 PolarHBondContact O-N 3.28Å; A1365-A1367 VanDerWaalsContact C-N 3.29Å; A1365-A1367 PolarHBondContact O-N 2.76Å; A1367-A1371 WeakPolarHBondContact O-CB 3.27Å; A1367-A1371 PolarHBondContact O-N 3.5Å |
| 1368 | L | 64.7 | Low | 56.4 | Low | 113 Ų | 113 | 73.1 Ų | 73.1 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.5 | -38.5 | 172 | -95.2 | 165.1 | 0 | 0 | 0 | 111.8 | T1360 S1364 A1365 A1372 | T1360-L1368 HydrophobicContact CG2-CD1 4.26Å; S1364-L1368 WeakPolarHBondContact O-CB 3.49Å; S1364-L1368 PolarHBondContact O-N 3.36Å; A1365-L1368 PolarHBondContact O-N 3.12Å; L1368-A1372 WeakPolarHBondContact O-CB 3.17Å; L1368-A1372 PolarHBondContact O-N 2.81Å |
| 1369 | V | 72.4 | Confident | 56.6 | Low | 96 Ų | 96 | 72.1 Ų | 72.1 | 58% | 0.582 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.8 | -42.8 | 172.3 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | A1365 A1372 V1373 | A1365-V1369 WeakPolarHBondContact O-CB 3.46Å; A1365-V1369 WeakPolarHBondContact O-CG2 3.29Å; A1365-V1369 PolarHBondContact O-N 3.26Å; V1369-A1372 PolarHBondContact O-N 3.25Å; V1369-V1373 HydrophobicContact CG1-CG2 4.37Å; V1369-V1373 VanDerWaalsContact O-CB 3.27Å; V1369-V1373 WeakPolarHBondContact O-CB 3.09Å; V1369-V1373 WeakPolarHBondContact O-CG2 3.36Å; V1369-V1373 PolarHBondContact O-N 2.79Å |
| 1370 | A | 65.6 | Low | 57 | Low | 60 Ų | 60 | 69.9 Ų | 69.9 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1366 A1374 | A1366-A1370 WeakPolarHBondContact O-CB 3.19Å; A1366-A1370 PolarHBondContact O-N 2.84Å; A1370-A1374 WeakPolarHBondContact O-CB 3.42Å; A1370-A1374 PolarHBondContact O-N 2.79Å |
| 1371 | A | 63.3 | Low | 56.7 | Low | 55 Ų | 55 | 69.2 Ų | 69.2 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.2 | -35.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1367 A1375 | A1367-A1371 WeakPolarHBondContact O-CB 3.27Å; A1367-A1371 PolarHBondContact O-N 3.5Å; A1371-A1375 WeakPolarHBondContact O-CB 3.11Å; A1371-A1375 PolarHBondContact O-N 2.79Å |
| 1372 | A | 65.6 | Low | 56.6 | Low | 62 Ų | 62 | 73.6 Ų | 73.6 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71 | -35.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1368 V1369 A1376 | L1368-A1372 WeakPolarHBondContact O-CB 3.17Å; L1368-A1372 PolarHBondContact O-N 2.81Å; V1369-A1372 PolarHBondContact O-N 3.25Å; A1372-A1376 WeakPolarHBondContact O-CB 3.26Å; A1372-A1376 PolarHBondContact O-N 2.87Å |
| 1373 | V | 67.8 | Low | 56 | Low | 86 Ų | 86 | 74.1 Ų | 74.1 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -44.9 | 170.7 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | V1369 A1375 A1376 T1377 | V1369-V1373 HydrophobicContact CG1-CG2 4.37Å; V1369-V1373 VanDerWaalsContact O-CB 3.27Å; V1369-V1373 WeakPolarHBondContact O-CB 3.09Å; V1369-V1373 WeakPolarHBondContact O-CG2 3.36Å; V1369-V1373 PolarHBondContact O-N 2.79Å; V1373-A1375 PolarHBondContact O-N 3.41Å; V1373-A1376 PolarHBondContact O-N 2.77Å; V1373-T1377 PolarHBondContact O-N 2.78Å; V1373-T1377 PolarHBondContact O-OG1 3.27Å; V1373-T1377 VanDerWaalsContact O-OG1 3.09Å |
| 1374 | A | 60.9 | Low | 55.6 | Low | 47 Ų | 47 | 76.1 Ų | 76.1 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1370 T1377 S1378 | A1370-A1374 WeakPolarHBondContact O-CB 3.42Å; A1370-A1374 PolarHBondContact O-N 2.79Å; A1374-T1377 WeakPolarHBondContact CA-OG1 3.34Å; A1374-T1377 CarbonylContact O-C 3.56Å; A1374-T1377 PolarHBondContact O-N 2.81Å; A1374-T1377 PolarHBondContact O-OG1 3.09Å; A1374-S1378 WeakPolarHBondContact O-CB 3.47Å; A1374-S1378 PolarHBondContact O-N 2.93Å; A1374-S1378 PolarHBondContact O-OG 3.09Å |
| 1375 | A | 55.7 | Low | 55 | Low | 56 Ų | 56 | 80.3 Ų | 80.3 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1371 V1373 S1378 A1379 | A1371-A1375 WeakPolarHBondContact O-CB 3.11Å; A1371-A1375 PolarHBondContact O-N 2.79Å; V1373-A1375 PolarHBondContact O-N 3.41Å; A1375-S1378 PolarHBondContact O-N 2.79Å; A1375-A1379 VanDerWaalsContact O-CB 3.29Å; A1375-A1379 WeakPolarHBondContact O-CB 3.35Å; A1375-A1379 PolarHBondContact O-N 2.76Å |
| 1376 | A | 54.9 | Low | 54.1 | Low | 57 Ų | 57 | 87.2 Ų | 87.2 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.2 | -38.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1372 V1373 A1379 V1380 | A1372-A1376 WeakPolarHBondContact O-CB 3.26Å; A1372-A1376 PolarHBondContact O-N 2.87Å; V1373-A1376 PolarHBondContact O-N 2.77Å; A1376-A1379 PolarHBondContact O-N 2.82Å; A1376-V1380 WeakPolarHBondContact O-CG2 3.42Å; A1376-V1380 PolarHBondContact O-N 3.07Å |
| 1377 | T | 55.1 | Low | 53 | Low | 92 Ų | 92 | 92.7 Ų | 92.7 | 56% | 0.564 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.5 | -29.1 | 171.8 | 52.9 | 0 | 0 | 0 | 0 | 113 | V1373 A1374 A1381 | V1373-T1377 PolarHBondContact O-N 2.78Å; V1373-T1377 PolarHBondContact O-OG1 3.27Å; V1373-T1377 VanDerWaalsContact O-OG1 3.09Å; A1374-T1377 WeakPolarHBondContact CA-OG1 3.34Å; A1374-T1377 CarbonylContact O-C 3.56Å; A1374-T1377 PolarHBondContact O-N 2.81Å; A1374-T1377 PolarHBondContact O-OG1 3.09Å; T1377-A1381 PolarHBondContact O-N 2.81Å |
| 1378 | S | 45.7 | Very low | 51.6 | Low | 78 Ų | 78 | 96.3 Ų | 96.3 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -75 | -36.6 | 172.7 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | A1374 A1375 V1380 A1381 | A1374-S1378 WeakPolarHBondContact O-CB 3.47Å; A1374-S1378 PolarHBondContact O-N 2.93Å; A1374-S1378 PolarHBondContact O-OG 3.09Å; A1375-S1378 PolarHBondContact O-N 2.79Å; S1378-V1380 PolarHBondContact O-N 3.34Å; S1378-A1381 WeakPolarHBondContact O-CB 3.38Å; S1378-A1381 PolarHBondContact O-N 3Å; S1378-A1381 VanDerWaalsContact O-N 3.07Å |
| 1379 | A | 46.8 | Very low | 50 | Low | 76 Ų | 76 | 96.2 Ų | 96.2 | 63% | 0.628 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.5 | -15.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1375 A1376 | A1375-A1379 VanDerWaalsContact O-CB 3.29Å; A1375-A1379 WeakPolarHBondContact O-CB 3.35Å; A1375-A1379 PolarHBondContact O-N 2.76Å; A1376-A1379 PolarHBondContact O-N 2.82Å |
| 1380 | V | 49.8 | Very low | 48.2 | Very low | 50 Ų | 50 | 98.2 Ų | 98.2 | 30% | 0.303 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.8 | -11.1 | 171.6 | 180 | 0 | 0 | 0 | 0 | 112.1 | V517 A518 A1376 S1378 | V517-V1380 HydrophobicContact CG1-CG1 4.22Å; A518-V1380 HydrophobicContact CB-CG1 3.78Å; A1376-V1380 WeakPolarHBondContact O-CG2 3.42Å; A1376-V1380 PolarHBondContact O-N 3.07Å; S1378-V1380 PolarHBondContact O-N 3.34Å |
| 1381 | A | 43.8 | Very low | 46.8 | Very low | 67 Ų | 67 | 100.5 Ų | 100.5 | 55% | 0.554 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -73.9 | -23.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1377 S1378 | T1377-A1381 PolarHBondContact O-N 2.81Å; S1378-A1381 WeakPolarHBondContact O-CB 3.38Å; S1378-A1381 PolarHBondContact O-N 3Å; S1378-A1381 VanDerWaalsContact O-N 3.07Å |
| 1382 | D | 44.1 | Very low | 45.4 | Very low | 149 Ų | 149 | 104 Ų | 104 | 80% | 0.797 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -94.9 | 9.9 | -168.2 | -129.6 | 3.3 | 0 | 0 | 0 | 114.7 | | |
| 1383 | V | 46.3 | Very low | 43.7 | Very low | 120 Ų | 120 | 105.8 Ų | 105.8 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -120.6 | 7.1 | -176.7 | -165.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1384 | N | 41.8 | Very low | 42.5 | Very low | 126 Ų | 126 | 105.9 Ų | 105.9 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -126.4 | 22.1 | 178.2 | -84.5 | -52.1 | 0 | 0 | 0 | 114.5 | | |
| 1385 | N | 37.3 | Very low | 41.2 | Very low | 145 Ų | 145 | 112.2 Ų | 112.2 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -115.2 | 39.6 | -179.8 | -163.2 | 28.7 | 0 | 0 | 0 | 114 | | |
| 1386 | M | 35.9 | Very low | 40 | Very low | 181 Ų | 181 | 115.6 Ų | 115.6 | 89% | 0.892 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -137.2 | 12.9 | 172.6 | -85.9 | -143.6 | 71.7 | 0 | 0 | 115.6 | | |
| 1387 | M | 33.4 | Very low | 39.2 | Very low | 177 Ų | 177 | 119.9 Ų | 119.9 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -158.4 | 129.8 | 168 | -92.4 | -178.5 | 169.4 | 0 | 0 | 108.2 | | |
| 1388 | T | 33.3 | Very low | 38 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | cis | -150.6 | 146.1 | -8.3 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1389 | S | 30 | Very low | 37.2 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | trans | -119.5 | 131.1 | 170.4 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1390 | T | 35.1 | Very low | 36.5 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | | | trans | 93.1 | 104.5 | 172 | 69.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1391 | S | 35.1 | Very low | 35.5 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | | -179.7 | 145.3 | 97.8 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1392 | T | 34.4 | Very low | 35 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -84.4 | 156.2 | -161.1 | 50.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1393 | S | 31.4 | Very low | 34.4 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | 106.8 | 124 | 140.4 | -58 | 0 | 0 | 0 | 0 | 120 | | |
| 1394 | P | 42.2 | Very low | 33.9 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 57% | 0.565 | 77% | 0.772 | S | S | * | * | | | trans | -109.9 | 166.8 | 174.8 | 40.6 | -33.8 | 0 | 0 | 0 | 114.9 | | |
| 1395 | L | 33.2 | Very low | 33.6 | Very low | 181 Ų | 181 | 124 Ų | 124 | 95% | 0.948 | 77% | 0.771 | S | S | * | * | | | trans | -153.9 | 170.6 | 163 | -112.3 | 176.2 | 0 | 0 | 0 | 113 | | |
| 1396 | N | 31.4 | Very low | 33.3 | Very low | 127 Ų | 127 | 124 Ų | 124 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | trans | -116.7 | 141.8 | -159.9 | 163 | 46.2 | 0 | 0 | 0 | 114.5 | | |
| 1397 | V | 36.6 | Very low | 33.1 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | | | trans | -159.9 | 157.7 | 147.2 | -100.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1398 | S | 30.1 | Very low | 33 | Very low | 98 Ų | 98 | 118 Ų | 118 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | -110.1 | 159.4 | -171.4 | -35.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1399 | S | 30.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | | 159.4 | 142 | 125.8 | -69.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1400 | S | 30.2 | Very low | 32.9 | Very low | 102 Ų | 102 | 119 Ų | 119 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | trans | 56.2 | 105.1 | 138.5 | 67.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1401 | S | 29.2 | Very low | 32.9 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | | 73.1 | 150.9 | 115.1 | 70.5 | 0 | 0 | 0 | 0 | 125.8 | | |
| 1402 | S | 33.8 | Very low | 32.8 | Very low | 102 Ų | 102 | 118 Ų | 118 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | | | trans | 75.2 | 98.9 | 145.8 | 53.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1403 | S | 32.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 118.8 Ų | 118.8 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | | 20.8 | 146.6 | 124.7 | -45.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1404 | S | 34.5 | Very low | 33 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | | | trans | 114.2 | 107.7 | 134.7 | -156.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1405 | S | 35.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | | 68.5 | 111.8 | 129.9 | -50.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1406 | N | 32.6 | Very low | 32.6 | Very low | 144 Ų | 144 | 118.4 Ų | 118.4 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | | 52.9 | 122.2 | 118.4 | -52 | -14.7 | 0 | 0 | 0 | 121.7 | | |
| 1407 | C | 30.8 | Very low | 32.8 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 93% | 0.926 | 74% | 0.738 | S | S | * | * | | | trans | -146.7 | 153.3 | 131.7 | -96 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1408 | S | 31.1 | Very low | 32.7 | Very low | 97 Ų | 97 | 119 Ų | 119 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | -147.9 | 150.7 | -159.6 | -46 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1409 | T | 29.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | | | trans | 67.7 | 170.1 | 157.4 | -19 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1410 | I | 32.1 | Very low | 32.9 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | | | cis | -140.3 | 158.7 | 2.5 | -29 | 165.7 | 0 | 0 | 0 | 106.9 | | |
| 1411 | I | 34.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | | 167.6 | 147.9 | 94 | -72 | -67.1 | 0 | 0 | 0 | 105.7 | | |
| 1412 | S | 33.1 | Very low | 32.8 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 52% | 0.517 | 75% | 0.75 | S | S | . | * | | | cis | -173.8 | 170.4 | -36.7 | -79.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1413 | N | 32.1 | Very low | 32.7 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | trans | 76.8 | 142.8 | 154.6 | -70.3 | 5.8 | 0 | 0 | 0 | 120.2 | | |
| 1414 | I | 37.5 | Very low | 32.6 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 67% | 0.672 | 75% | 0.748 | S | S | * | * | | | cis | -166.8 | 168.7 | -20.8 | -130.5 | 169.1 | 0 | 0 | 0 | 110.7 | | |
| 1415 | N | 35 | Very low | 32.8 | Very low | 140 Ų | 140 | 128 Ų | 128 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | 70.8 | 148.8 | 174 | -67.9 | -15.6 | 0 | 0 | 0 | 118.4 | | |
| 1416 | S | 33 | Very low | 32.6 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | | | cis | -169.2 | 171.2 | -23 | -96.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1417 | N | 36.4 | Very low | 32.6 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | 78.1 | 117.5 | 178.4 | -48.5 | 3.2 | 0 | 0 | 0 | 113.3 | | |
| 1418 | D | 32.5 | Very low | 32.6 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | cis | 87.6 | 96.1 | 43 | -67.6 | -42.7 | 0 | 0 | 0 | 114.7 | | |
| 1419 | T | 34.6 | Very low | 32.5 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 93% | 0.933 | 74% | 0.743 | S | S | * | * | | | | 175.8 | 159.6 | 107.5 | 30.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1420 | S | 31 | Very low | 32.8 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | | | trans | -127.5 | 153.2 | -170.5 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1421 | L | 27.4 | Very low | 32.9 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 74% | 0.736 | S | S | * | * | | | trans | 36.4 | 112.6 | 148.3 | -68.5 | 166.3 | 0 | 0 | 0 | 119.5 | | |
| 1422 | S | 29.5 | Very low | 32.5 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | trans | -155.1 | 120.1 | 149.2 | -157.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1423 | I | 31.3 | Very low | 32.6 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | trans | 59.4 | 105.2 | 134.3 | -64.3 | 179.1 | 0 | 0 | 0 | 120.6 | | |
| 1424 | Q | 30.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | | | trans | 69.3 | 176.1 | 135.1 | -53.6 | -73.2 | -1.2 | 0 | 0 | 118.2 | | |
| 1425 | P | 38.9 | Very low | 31.4 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 62% | 0.623 | 75% | 0.747 | S | S | * | * | | | | -136 | 164.7 | -77.8 | 39.3 | -23.8 | 0 | 0 | 0 | 114.6 | | |
| 1426 | F | 31.4 | Very low | 30.9 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | | | trans | -154.7 | 150.4 | 148.8 | -110 | -76.1 | 0 | 0 | 0 | 114.8 | | |
| 1427 | L | 31.7 | Very low | 30.7 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | | | trans | -54.5 | 170.9 | -177.1 | -46.1 | 171.5 | 0 | 0 | 0 | 115.2 | | |
| 1428 | L | 31.1 | Very low | 30.2 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | cis | -158.2 | 165 | 0.8 | -154.7 | 71.5 | 0 | 0 | 0 | 109.7 | | |
| 1429 | K | 30 | Very low | 30.3 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | trans | -139.7 | 144.6 | 150.1 | -153.3 | 170.3 | -171.8 | 175.6 | 0 | 110.5 | | |
| 1430 | S | 35.3 | Very low | 30 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 55% | 0.545 | 74% | 0.735 | S | S | . | * | | | trans | -141 | 171 | -173.9 | 73.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1431 | K | 34.4 | Very low | 29.8 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | | | cis | -151.7 | 145.2 | 3.2 | -158.9 | 161.6 | -179.9 | 172.4 | 0 | 110.2 | V1433 | K1431-V1433 HydrophobicContact CD-CG2 4.31Å; K1431-V1433 VanDerWaalsContact CE-CG2 3.47Å; K1431-V1433 HydrophobicContact CG-CG2 4.06Å |
| 1432 | S | 25.8 | Very low | 30 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | | | trans | -129.1 | 142.4 | 153.3 | 53.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1433 | V | 34.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | | | trans | -147.4 | 134.7 | 175.8 | 167.5 | 0 | 0 | 0 | 0 | 109.3 | K1431 | K1431-V1433 HydrophobicContact CD-CG2 4.31Å; K1431-V1433 VanDerWaalsContact CE-CG2 3.47Å; K1431-V1433 HydrophobicContact CG-CG2 4.06Å |
| 1434 | S | 21.8 | Very low | 29.8 | Very low | 86 Ų | 86 | 136 Ų | 136 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | | | trans | -136.7 | 150.2 | 137.2 | -158.6 | 0 | 0 | 0 | 0 | 109 | | |
| 1435 | F | 23.9 | Very low | 29.8 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | | | trans | 69 | 134.3 | 164.7 | -58.4 | -61.7 | 0 | 0 | 0 | 122.7 | | |
| 1436 | S | 24.7 | Very low | 29.3 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | | | trans | 87.2 | 136.8 | 142.1 | -118 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1437 | T | 28 | Very low | 29.3 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | | | trans | 39.3 | 150.4 | 140.8 | 54.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1438 | Q | 24.9 | Very low | 29.5 | Very low | 168 Ų | 168 | 135 Ų | 135 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | | | cis | -157.6 | -168.5 | -6.5 | -103 | -82.5 | 16.9 | 0 | 0 | 104.9 | | |
| 1439 | P | 36.2 | Very low | 29.5 | Very low | 81 Ų | 81 | 136.3 Ų | 136.3 | 53% | 0.526 | 71% | 0.713 | S | S | . | * | | | trans | -112 | 174.2 | -152.4 | 25.5 | -1.5 | 0 | 0 | 0 | 114.2 | | |
| 1440 | Y | 28.4 | Very low | 29.5 | Very low | 214 Ų | 214 | 133.2 Ų | 133.2 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | | | | 179.1 | 169.1 | 106.8 | -103.4 | -75.5 | 0 | 0 | 0 | 112.4 | | |
| 1441 | T | 26.5 | Very low | 29.1 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 64% | 0.644 | 72% | 0.721 | S | S | * | * | | | trans | -99.4 | 145.3 | -175.5 | 49 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1442 | D | 31.1 | Very low | 29 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | | | | -163 | 132.1 | 118.9 | -88.5 | -25.1 | 0 | 0 | 0 | 106.8 | | |
| 1443 | L | 27.7 | Very low | 29.3 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 70% | 0.696 | 71% | 0.71 | S | S | * | * | | | | 66.6 | 134.8 | 56.8 | -60.6 | -178.3 | 0 | 0 | 0 | 111.9 | | |
| 1444 | N | 28.7 | Very low | 28.8 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 60% | 0.599 | 71% | 0.713 | S | S | * | * | | | cis | -158.5 | -175.4 | 17.4 | -144.9 | -33.8 | 0 | 0 | 0 | 112.9 | | |
| 1445 | F | 30.1 | Very low | 29 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | | | trans | 79.4 | 146.8 | 153.1 | -63.1 | -23.7 | 0 | 0 | 0 | 119.9 | | |
| 1446 | L | 30.2 | Very low | 29.3 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | | | cis | -163.4 | 164.9 | -9.2 | -109.9 | -156.8 | 0 | 0 | 0 | 107.6 | | |
| 1447 | K | 30.7 | Very low | 29.5 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | cis | -158.3 | 178.8 | -8.6 | -168.3 | 156.1 | 179.2 | 175.3 | 0 | 108.8 | | |
| 1448 | T | 35.7 | Very low | 29.4 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | | | trans | 87.8 | 132.3 | 154.1 | 4.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1449 | E | 32.3 | Very low | 29.4 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | S | Bend | cis | -159.8 | 148.7 | 19.4 | -176.5 | 173 | -172.8 | 0 | 0 | 107.9 | | |
| 1450 | N | 29.9 | Very low | 29 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 57% | 0.567 | 74% | 0.735 | S | S | * | * | | | cis | -137.9 | 141.6 | -2.1 | -114.2 | -40.2 | 0 | 0 | 0 | 106.9 | | |
| 1451 | D | 26.1 | Very low | 29.1 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | | | trans | -127.5 | 113.7 | 157.2 | -125.5 | -25.8 | 0 | 0 | 0 | 108.9 | | |
| 1452 | K | 32.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 68% | 0.683 | 74% | 0.738 | S | S | * | * | | | trans | -122.5 | 130.2 | 169 | -73 | 179.3 | -175.6 | 175.2 | 0 | 104.2 | | |
| 1453 | Q | 30.9 | Very low | 29.4 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | | | cis | -153 | 149.9 | 15.2 | -109.8 | 156 | -68.3 | 0 | 0 | 110 | | |
| 1454 | A | 24.8 | Very low | 29.7 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -88.4 | 155.6 | 136.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1455 | E | 26 | Very low | 29.8 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 53.5 | 91.5 | 176.3 | -57.3 | -170.2 | 128.8 | 0 | 0 | 116.3 | | |
| 1456 | F | 29.1 | Very low | 29.9 | Very low | 180 Ų | 180 | 136 Ų | 136 | 79% | 0.789 | 72% | 0.723 | S | S | * | * | | | | -173.6 | 137.4 | 111.3 | -117.7 | -122.3 | 0 | 0 | 0 | 111 | | |
| 1457 | V | 28.7 | Very low | 29.9 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | | | trans | 53.1 | 100.6 | 156.5 | -175 | 0 | 0 | 0 | 0 | 117.5 | N1459 | V1457-N1459 VanDerWaalsContact CG1-O 3.26Å; V1457-N1459 WeakPolarHBondContact CG1-O 3.27Å |
| 1458 | S | 26.4 | Very low | 30 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 88% | 0.881 | 72% | 0.721 | S | S | * | * | | | trans | -137.6 | 47.5 | 144.9 | -156.1 | 0 | 0 | 0 | 0 | 112 | | |
| 1459 | N | 25.7 | Very low | 29.9 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | | | trans | -121 | 136.1 | 148.2 | -82.7 | -27.5 | 0 | 0 | 0 | 103.6 | V1457 | V1457-N1459 VanDerWaalsContact CG1-O 3.26Å; V1457-N1459 WeakPolarHBondContact CG1-O 3.27Å |
| 1460 | L | 27.7 | Very low | 30 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | | | cis | -140 | 157.9 | 15.8 | -139.1 | 66.5 | 0 | 0 | 0 | 104.6 | | |
| 1461 | I | 31 | Very low | 30.2 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 65% | 0.651 | 72% | 0.722 | S | S | * | * | | | | -153.5 | 126.6 | 54.2 | -73.8 | 176.9 | 0 | 0 | 0 | 109.9 | S1463 | I1461-S1463 WeakPolarHBondContact CG2-OG 3.36Š|
| 1462 | S | 31.6 | Very low | 30.3 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 88% | 0.881 | 72% | 0.715 | S | S | * | * | | | trans | -100.1 | 121.8 | 137.7 | -72.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1463 | S | 31.8 | Very low | 30.2 | Very low | 84 Ų | 84 | 135 Ų | 135 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | | | trans | -158.3 | 137.5 | 168.3 | 67.2 | 0 | 0 | 0 | 0 | 106.1 | I1461 | I1461-S1463 WeakPolarHBondContact CG2-OG 3.36Š|
| 1464 | H | 33.5 | Very low | 30 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 70% | 0.704 | 72% | 0.72 | S | S | * | * | | | cis | -166.7 | 151.7 | 6.1 | -119.4 | 0 | 0 | 0 | 0 | 104.2 | | |
| 1465 | L | 31.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 53% | 0.534 | 72% | 0.718 | S | S | . | * | | | cis | -155.3 | -174.5 | 16.7 | -97.7 | 154.7 | 0 | 0 | 0 | 107.7 | | |
| 1466 | Q | 31.5 | Very low | 30.6 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | | | cis | -153.8 | 156.2 | 12.7 | -153.4 | 108.2 | 24.1 | 0 | 0 | 110.4 | | |
| 1467 | M | 30.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 67% | 0.665 | 72% | 0.719 | S | S | * | * | | | trans | 66.5 | 134.7 | 163.4 | -51.8 | -33.8 | -100.3 | 0 | 0 | 117 | | |
| 1468 | D | 32.6 | Very low | 30.7 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | cis | -134.2 | 159.3 | 5.1 | -82.4 | -49.1 | 0 | 0 | 0 | 114.2 | | |
| 1469 | E | 33.7 | Very low | 30.9 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | | | trans | -38.5 | 160 | 165.3 | -62.7 | 166.6 | 171.8 | 0 | 0 | 116.3 | | |
| 1470 | E | 35.6 | Very low | 31.6 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 71% | 0.71 | 72% | 0.716 | S | S | * | * | | | cis | -162.9 | 161.1 | -3 | -123.8 | -166 | -174.4 | 0 | 0 | 111.6 | | |
| 1471 | N | 33.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 131 Ų | 131 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | | | trans | 48.5 | 131.3 | 145.6 | -72.2 | -34.4 | 0 | 0 | 0 | 122.2 | | |
| 1472 | I | 28.1 | Very low | 31.9 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | cis | 65.7 | 120.3 | 26.4 | -59.6 | 178.8 | 0 | 0 | 0 | 112 | | |
| 1473 | Q | 29.7 | Very low | 32 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | | | cis | -155 | 174.7 | 20.4 | -163.5 | 51 | -20 | 0 | 0 | 113.3 | | |
| 1474 | L | 27.9 | Very low | 32 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | trans | -18.9 | 157.9 | 161.7 | -55.6 | 165.4 | 0 | 0 | 0 | 119.6 | | |
| 1475 | G | 30.7 | Very low | 32 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | | | trans | -147.5 | 146.9 | 160 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1476 | L | 32.7 | Very low | 32.1 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | | | trans | 159.1 | 131.1 | 160.1 | -90.4 | 170 | 0 | 0 | 0 | 107.1 | | |
| 1477 | S | 29.4 | Very low | 32 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | cis | -167.5 | 161.3 | -10 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1478 | L | 28.7 | Very low | 32.1 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | 163.4 | 115.6 | 141.4 | -88.3 | 160.1 | 0 | 0 | 0 | 116.3 | | |
| 1479 | Q | 31.6 | Very low | 32.2 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | 72.3 | 157.4 | 142.6 | -73.7 | -169.8 | -86.6 | 0 | 0 | 124.1 | | |
| 1480 | P | 39.8 | Very low | 32.2 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | trans | -142.3 | -179 | -140.8 | 45 | -26.5 | 0 | 0 | 0 | 120 | | |
| 1481 | S | 30.8 | Very low | 32 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | 128.6 | 132.8 | 136.9 | -159.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1482 | N | 34.2 | Very low | 31.9 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | 100.4 | 127.8 | 142.7 | -142.7 | 4.6 | 0 | 0 | 0 | 124.8 | | |
| 1483 | N | 34.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | | | trans | 77.1 | 82.9 | 150.5 | -89 | -24 | 0 | 0 | 0 | 126.5 | | |
| 1484 | N | 31.7 | Very low | 31.8 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | | 55.4 | 149.2 | 124.7 | -73.6 | -10.2 | 0 | 0 | 0 | 128.1 | | |
| 1485 | N | 33.4 | Very low | 32.5 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | trans | 69.9 | 126.6 | 177.7 | -70.2 | 6.4 | 0 | 0 | 0 | 115.9 | | |
| 1486 | N | 32.7 | Very low | 32.1 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -145.7 | 150 | 6 | -89.8 | -11.2 | 0 | 0 | 0 | 108.6 | | |
| 1487 | N | 30.3 | Very low | 32 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -131.2 | 148.4 | 7.7 | -86.4 | -25.2 | 0 | 0 | 0 | 111.5 | | |
| 1488 | N | 32.8 | Very low | 31.9 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 62.1 | 76.5 | 156.3 | -60.9 | 7.7 | 0 | 0 | 0 | 118.7 | | |
| 1489 | N | 35.1 | Very low | 31.9 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | trans | 69.8 | 72.7 | 135.7 | -54.3 | 4.1 | 0 | 0 | 0 | 117.8 | | |
| 1490 | N | 32.6 | Very low | 31.7 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | | | trans | -79.2 | 154.9 | 153 | -57.9 | -56.1 | 0 | 0 | 0 | 110.8 | | |
| 1491 | D | 32.4 | Very low | 31.2 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | | | trans | 166.3 | 146.9 | 149 | -94.3 | -6.4 | 0 | 0 | 0 | 109.1 | | |
| 1492 | I | 31.5 | Very low | 31.2 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | | | cis | -154.7 | 179.3 | -9.5 | -135.6 | 166.7 | 0 | 0 | 0 | 110.8 | | |
| 1493 | I | 28.2 | Very low | 31 | Very low | 125 Ų | 125 | 131 Ų | 131 | 64% | 0.641 | 71% | 0.707 | S | S | * | * | | | trans | -78.2 | 167.5 | 177 | -57.3 | 155.2 | 0 | 0 | 0 | 110.8 | | |
| 1494 | N | 27 | Very low | 31 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | trans | 69.7 | 118.5 | 171.6 | -63.9 | -22.2 | 0 | 0 | 0 | 117.9 | | |
| 1495 | N | 41.7 | Very low | 30.8 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | | | trans | 160.4 | 103.5 | 132.3 | -85.6 | -9.8 | 0 | 0 | 0 | 105.9 | | |
| 1496 | D | 24.1 | Very low | 30.9 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | | | cis | 48.3 | 127.5 | 43 | -86.5 | -14.7 | 0 | 0 | 0 | 113 | | |
| 1497 | N | 29.5 | Very low | 30.9 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | | | trans | 102.2 | 99.9 | 179 | -55.3 | -53.1 | 0 | 0 | 0 | 114.8 | | |
| 1498 | I | 27 | Very low | 31.1 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | | | | 88.9 | 100.7 | 74.3 | -80.1 | 175.7 | 0 | 0 | 0 | 109.3 | | |
| 1499 | T | 28.7 | Very low | 31.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | | | | 83.1 | 144.8 | 89 | -46 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1500 | N | 27.6 | Very low | 31.2 | Very low | 121 Ų | 121 | 123 Ų | 123 | 65% | 0.647 | 65% | 0.648 | S | S | * | * | | | trans | 82.4 | 125 | 172.4 | -51.3 | -60.6 | 0 | 0 | 0 | 116.7 | | |
| 1501 | N | 29.9 | Very low | 31.3 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | | | trans | 72.2 | 149.2 | 144.6 | -57.5 | -9.2 | 0 | 0 | 0 | 116.9 | | |
| 1502 | S | 30.6 | Very low | 31.5 | Very low | 59 Ų | 59 | 123.8 Ų | 123.8 | 41% | 0.413 | 65% | 0.647 | S | S | . | * | | | cis | -163.1 | 152.1 | -8 | -112.6 | 0 | 0 | 0 | 0 | 109.5 | Q655 | Q655-S1502 PolarHBondContact OE1-O 3.48Š|
| 1503 | V | 30.1 | Very low | 31.8 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 47% | 0.473 | 64% | 0.644 | S | S | . | * | | | | 45.4 | 117.7 | 91.4 | -168 | 0 | 0 | 0 | 0 | 112 | P656 | P656-V1503 HydrophobicContact CG-CG2 4.14Š|
| 1504 | Q | 33.4 | Very low | 32.1 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 51% | 0.514 | 65% | 0.648 | S | S | . | * | | | cis | -128.6 | -57.3 | -3.6 | -116.9 | 170.9 | -88.5 | 0 | 0 | 110 | E654 Q655 | E654-Q1504 CarbonylContact C-O 3.34Å; E654-Q1504 VanDerWaalsContact CA-O 3.22Å; E654-Q1504 WeakPolarHBondContact CA-O 3.14Å; E654-Q1504 VanDerWaalsContact CD-CG 3.47Å; E654-Q1504 HydrophobicContact CG-CB 4.48Å; E654-Q1504 HydrophobicContact CG-CG 3.94Å; E654-Q1504 WeakPolarHBondContact OE1-CG 3.2Å; E654-Q1504 PolarHBondContact OE1-NE2 2.77Å; E654-Q1504 WeakPolarHBondContact OE2-CB 3.49Å; Q655-Q1504 PolarHBondContact N-O 2.79Å |
| 1505 | I | 29.3 | Very low | 32.4 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 49% | 0.492 | 65% | 0.65 | S | S | . | * | | | trans | 100.5 | -17.6 | 173.3 | -53.9 | 167.8 | 0 | 0 | 0 | 115.7 | L653 Q655 K1507 | L653-I1505 HydrophobicContact CD2-CG2 3.62Å; L653-I1505 HydrophobicContact CG-CB 4.46Å; L653-I1505 HydrophobicContact CG-CG2 3.92Å; L653-I1505 CarbonylContact O-C 3.48Å; Q655-I1505 HydrophobicContact CG-CD1 4.15Å; I1505-K1507 PolarHBondContact O-N 3.16Å |
| 1506 | T | 33.7 | Very low | 31.9 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 42% | 0.423 | 65% | 0.646 | S | S | . | * | | | trans | -66.8 | 100.7 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 114.1 | L653 E654 | L653-T1506 PolarHBondContact O-N 2.95Å; L653-T1506 VanDerWaalsContact O-N 3.15Å; L653-T1506 PolarHBondContact O-OG1 2.61Å; L653-T1506 VanDerWaalsContact O-OG1 3.11Å; E654-T1506 PolarHBondContact OE1-OG1 3.03Å; E654-T1506 WeakPolarHBondContact OE2-CB 3.18Å; E654-T1506 PolarHBondContact OE2-N 3.19Å; E654-T1506 PolarHBondContact OE2-OG1 3.23Å |
| 1507 | K | 33.4 | Very low | 32.2 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 60% | 0.596 | 65% | 0.648 | S | S | * | * | | | trans | 47.2 | 120.8 | 145.5 | -56.7 | 170.5 | -178.6 | 167.7 | 0 | 118.7 | T652 I1505 | T652-K1507 VanDerWaalsContact O-CE 3.23Å; T652-K1507 WeakPolarHBondContact O-CE 3.36Å; T652-K1507 PolarHBondContact O-NZ 3.05Å; T652-K1507 VanDerWaalsContact OG1-CE 3.3Å; T652-K1507 WeakPolarHBondContact OG1-CE 3.08Å; T652-K1507 PolarHBondContact OG1-NZ 2.96Å; I1505-K1507 PolarHBondContact O-N 3.16Å |
| 1508 | K | 34 | Very low | 32.4 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 74% | 0.735 | 65% | 0.65 | S | S | * | * | | | | -175.3 | 148.8 | 97.4 | -101.7 | -171.8 | 154 | -75.5 | 0 | 115.5 | | |
| 1509 | D | 34.2 | Very low | 32.6 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 54% | 0.54 | 65% | 0.651 | S | S | . | * | | | trans | 39.6 | 126.3 | 145.9 | -41.1 | -15.4 | 0 | 0 | 0 | 120 | | |
| 1510 | N | 35.7 | Very low | 32.6 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | | | | -161.1 | 146.9 | 59.8 | -92.1 | -67.4 | 0 | 0 | 0 | 116.2 | | |
| 1511 | Q | 36.4 | Very low | 32.7 | Very low | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | | | trans | 15 | 132.4 | 142.9 | -56.6 | -175.6 | -46.2 | 0 | 0 | 121 | | |
| 1512 | D | 36.3 | Very low | 32.8 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 79% | 0.786 | 66% | 0.657 | S | S | * | * | | | | -158.2 | 156 | 96.9 | -138.8 | -37.9 | 0 | 0 | 0 | 112.5 | | |
| 1513 | S | 36.5 | Very low | 32.7 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 67% | 0.671 | 67% | 0.672 | S | S | * | * | | | trans | 32.1 | 148.3 | 159 | -63.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1514 | I | 35.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | | | cis | 167.6 | 148.1 | -24.6 | -103.7 | 164.7 | 0 | 0 | 0 | 107.2 | | |
| 1515 | Q | 33.4 | Very low | 32.8 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | | | trans | 77.6 | 93.4 | 164.2 | -131.5 | 80.5 | 14.9 | 0 | 0 | 122.2 | | |
| 1516 | T | 30.7 | Very low | 33 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | | | trans | 49.9 | 135.5 | 134.5 | 63.5 | 0 | 0 | 0 | 0 | 125.4 | | |
| 1517 | T | 30.8 | Very low | 33 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | | | trans | 78.7 | 134 | 145.8 | 24.4 | 0 | 0 | 0 | 0 | 122 | | |
| 1518 | V | 33.9 | Very low | 32.9 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | | | trans | 73.8 | 116.9 | 155.5 | 177.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1519 | D | 30.4 | Very low | 32.9 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | | | trans | 52.6 | 134.2 | 146.6 | -66.8 | 8.3 | 0 | 0 | 0 | 124.4 | | |
| 1520 | N | 28.4 | Very low | 32.9 | Very low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | trans | 72 | 130.5 | 137.4 | -81.4 | -53.7 | 0 | 0 | 0 | 122 | | |
| 1521 | L | 29.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | | 20.9 | 140.1 | 111.1 | -163.5 | 77.6 | 0 | 0 | 0 | 118.8 | | |
| 1522 | S | 32.6 | Very low | 32.6 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | 98.8 | 137.4 | 158.6 | -159.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1523 | N | 29.4 | Very low | 32.6 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | | | trans | 170.5 | 138.1 | 152.7 | -91.6 | -22.7 | 0 | 0 | 0 | 107.8 | | |
| 1524 | H | 31.9 | Very low | 32.7 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 56% | 0.56 | 74% | 0.736 | S | S | * | * | | | cis | -127.4 | 165.7 | -11.1 | -90 | -73.6 | 0 | 0 | 0 | 107.2 | S1526 | H1524-S1526 PolarHBondContact ND1-OG 2.97Š|
| 1525 | Y | 33.5 | Very low | 32.7 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | | | cis | -148.2 | 145.9 | 42.2 | -78.1 | -96.2 | 0 | 0 | 0 | 108.7 | | |
| 1526 | S | 33.7 | Very low | 32.7 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 56% | 0.559 | 73% | 0.732 | S | S | * | * | | | cis | 68.2 | 118.3 | 39.5 | -50.8 | 0 | 0 | 0 | 0 | 113.5 | H1524 | H1524-S1526 PolarHBondContact ND1-OG 2.97Š|
| 1527 | S | 32.2 | Very low | 32.9 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | cis | -170.8 | 155.6 | -5.7 | 43.4 | 0 | 0 | 0 | 0 | 109 | | |
| 1528 | T | 32 | Very low | 32.9 | Very low | 126 Ų | 126 | 137 Ų | 137 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | 42 | 115.5 | 149.5 | 56 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1529 | S | 34 | Very low | 32.7 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | | 161.8 | 149.4 | 89.6 | -111.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1530 | D | 34.4 | Very low | 32.6 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | 63.6 | 89.2 | 141.3 | -48.3 | 0.6 | 0 | 0 | 0 | 121.9 | | |
| 1531 | D | 31.2 | Very low | 32.7 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | | | | 62.2 | 162.6 | 124.8 | -78.4 | -25.7 | 0 | 0 | 0 | 125.8 | | |
| 1532 | I | 34.7 | Very low | 32.6 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | | | trans | 77.6 | 86.2 | 166.2 | -38.7 | -175.3 | 0 | 0 | 0 | 118.3 | | |
| 1533 | R | 35.9 | Very low | 32.5 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | | | trans | 164.8 | 140.4 | 133.7 | -93.4 | 163.9 | -176.2 | -167.3 | 1.8 | 110.9 | | |
| 1534 | V | 39.1 | Very low | 32.6 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | | | cis | -162.6 | 154.4 | -12.5 | 92.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1535 | N | 34.4 | Very low | 32.8 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | | | trans | 68.3 | 83.8 | 166.9 | -67.2 | 27.8 | 0 | 0 | 0 | 120.3 | | |
| 1536 | D | 34.1 | Very low | 33 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | | | | 66.4 | 136.2 | 107.6 | -52.5 | -5.5 | 0 | 0 | 0 | 124.3 | | |
| 1537 | N | 34 | Very low | 33.2 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | | | trans | 75.2 | 120.9 | 158.7 | -53.6 | -22.1 | 0 | 0 | 0 | 117.6 | | |
| 1538 | D | 31.7 | Very low | 33.4 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | | | | 73.7 | 135.1 | 57.4 | -75.7 | -30.3 | 0 | 0 | 0 | 114 | | |
| 1539 | S | 29.9 | Very low | 33.6 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | | | cis | -162.5 | 179.7 | -9.6 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1540 | M | 27.9 | Very low | 34.2 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | | | trans | 19.5 | 131.5 | 139.8 | -160 | 174.7 | 168.7 | 0 | 0 | 121.2 | | |
| 1541 | T | 30.4 | Very low | 34.3 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | | | trans | 64.8 | 146.8 | 155.8 | 44.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1542 | D | 28.4 | Very low | 34.4 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | | | trans | 69.1 | 148.4 | 154.2 | -86.5 | -42.8 | 0 | 0 | 0 | 122.7 | | |
| 1543 | M | 29.4 | Very low | 34.4 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 71% | 0.709 | 66% | 0.664 | S | S | * | * | | | trans | 44.9 | 113 | 144.3 | -64.5 | -74.3 | -88.5 | 0 | 0 | 121.4 | | |
| 1544 | T | 32.5 | Very low | 34.3 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | | | trans | 65.4 | 144 | 133 | 63.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1545 | T | 36.1 | Very low | 34 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 63% | 0.632 | 66% | 0.658 | S | S | * | * | | | cis | -171.1 | 154.2 | 0.3 | 15.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1546 | I | 36.3 | Very low | 33.8 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | | | trans | 63.2 | 131.7 | 143.7 | -66.3 | 165.2 | 0 | 0 | 0 | 117.3 | | |
| 1547 | S | 38.9 | Very low | 33.6 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 67% | 0.671 | 67% | 0.67 | S | S | * | * | | | cis | -179.4 | 168.6 | -2.3 | -98.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1548 | C | 35.4 | Very low | 34.1 | Very low | 76 Ų | 76 | 117 Ų | 117 | 51% | 0.514 | 67% | 0.67 | S | S | . | * | | | cis | -162.2 | 157.5 | -4.8 | -121.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1549 | D | 36.2 | Very low | 34.8 | Very low | 64 Ų | 64 | 115.1 Ų | 115.1 | 34% | 0.342 | 67% | 0.665 | S | S | . | * | | | trans | 41.2 | 158.4 | 131.7 | -89.2 | -7.3 | 0 | 0 | 0 | 125.8 | K1619 | D1549-K1619 VanDerWaalsContact O-CA 3.25Å; D1549-K1619 WeakPolarHBondContact O-CA 3.47Å; D1549-K1619 PolarHBondContact O-N 3.02Å |
| 1550 | P | 46.8 | Very low | 35 | Very low | 61 Ų | 61 | 116.5 Ų | 116.5 | 40% | 0.396 | 67% | 0.67 | S | S | . | * | | | cis | -123.1 | -165.8 | -3.3 | 27.2 | -2.8 | 0 | 0 | 0 | 111.2 | K1619 | P1550-K1619 WeakPolarHBondContact O-CE 3.46Š|
| 1551 | I | 37.6 | Very low | 35.3 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 60% | 0.595 | 68% | 0.675 | S | S | * | * | | | cis | -149.1 | 120.9 | 20.1 | -55.3 | 158.4 | 0 | 0 | 0 | 110.2 | K1621 | I1551-K1621 WeakPolarHBondContact O-CE 3.24Å; I1551-K1621 PolarHBondContact O-NZ 3.3Å |
| 1552 | Y | 33.7 | Very low | 35.4 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 58% | 0.584 | 68% | 0.679 | S | S | * | * | | | trans | 45.2 | -179.7 | 147.7 | -83.3 | -127.8 | 0 | 0 | 0 | 121.5 | K1621 K1623 | Y1552-K1621 PolarHBondContact O-NZ 3.1Å; Y1552-K1623 PolarHBondContact OH-NZ 3.29Å |
| 1553 | Y | 33.8 | Very low | 35.7 | Very low | 145 Ų | 145 | 117.4 Ų | 117.4 | 57% | 0.569 | 67% | 0.67 | S | S | * | * | | | | -177.9 | 161 | -58.4 | -117.3 | -133.4 | 0 | 0 | 0 | 106.5 | K1623 | Y1553-K1623 HydrophobicContact CE1-CD 4.46Å; Y1553-K1623 HydrophobicContact CE2-CD 4.08Å; Y1553-K1623 WeakPolarHBondContact OH-CD 3.43Å |
| 1554 | S | 33.6 | Very low | 35.7 | Very low | 92 Ų | 92 | 118 Ų | 118 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | | | cis | -169.9 | -178.7 | -24.5 | -93.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1555 | V | 32.1 | Very low | 35.8 | Very low | 140 Ų | 140 | 118.5 Ų | 118.5 | 85% | 0.848 | 67% | 0.669 | S | S | * | * | | | trans | -124 | 143.4 | -172.9 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1556 | S | 31 | Very low | 35.7 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | | | trans | 166.5 | 142.8 | 145.7 | -80.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1557 | S | 31 | Very low | 35.4 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 84% | 0.839 | 66% | 0.662 | S | S | * | * | | | trans | 171.3 | 164.3 | 161.6 | -83.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1558 | P | 42.8 | Very low | 35.1 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 67% | 0.669 | S | S | * | * | | | cis | -140.5 | -158.2 | 24 | 39.2 | -15 | 0 | 0 | 0 | 113.9 | | |
| 1559 | P | 47.8 | Very low | 34.8 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 68% | 0.682 | S | S | * | * | | | | -136.5 | 173.7 | -59.7 | 38.3 | -21.8 | 0 | 0 | 0 | 116.4 | | |
| 1560 | T | 32.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | | | trans | 87.9 | 107.9 | 150 | -16.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1561 | L | 34.9 | Very low | 33.7 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 88% | 0.88 | 71% | 0.708 | S | S | * | * | | | | -151 | 163.3 | 129.4 | -118.1 | 175.2 | 0 | 0 | 0 | 111.1 | | |
| 1562 | H | 32.9 | Very low | 33.8 | Very low | 164 Ų | 164 | 129 Ų | 129 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | | | trans | -68.4 | 161.8 | 179 | -99.9 | -141.1 | 0 | 0 | 0 | 113.5 | | |
| 1563 | V | 33.9 | Very low | 33.7 | Very low | 99 Ų | 99 | 128 Ų | 128 | 60% | 0.6 | 72% | 0.72 | S | S | * | * | | | cis | -164.2 | 152.1 | -21.4 | 81.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1564 | H | 30 | Very low | 33.7 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | trans | 55.4 | 130.9 | 157.6 | -76.8 | 141.4 | 0 | 0 | 0 | 123.9 | | |
| 1565 | I | 34.6 | Very low | 33.8 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | | | | 84 | 105 | 128 | -70.7 | 171.1 | 0 | 0 | 0 | 119.3 | | |
| 1566 | N | 32.8 | Very low | 33.8 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | | | trans | 71.2 | 156.5 | 135.1 | -64.8 | 13.8 | 0 | 0 | 0 | 118.9 | | |
| 1567 | N | 30.9 | Very low | 34 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 57% | 0.567 | 73% | 0.728 | S | S | * | * | | | cis | -155.2 | 157.1 | -7.7 | -120.9 | -4.2 | 0 | 0 | 0 | 109.9 | | |
| 1568 | R | 31.9 | Very low | 34 | Very low | 217 Ų | 217 | 132.5 Ų | 132.5 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | | | trans | -167.8 | 47.1 | 145.3 | -108.3 | 162 | -156 | -103.7 | 5.2 | 116.6 | | |
| 1569 | L | 29.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | S | Bend | | -120.7 | 124.6 | 120.5 | -76.8 | 168.8 | 0 | 0 | 0 | 105.1 | | |
| 1570 | S | 29.4 | Very low | 32.7 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | cis | -134 | 164.8 | 3.9 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1571 | S | 32.1 | Very low | 32.6 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | | | trans | -123.6 | 165.1 | 174.1 | 55 | 0 | 0 | 0 | 0 | 110 | | |
| 1572 | P | 38.5 | Very low | 32.5 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | | | cis | -133.5 | 167.3 | -39.4 | 37.3 | -23.2 | 0 | 0 | 0 | 112 | N1574 | P1572-N1574 PolarHBondContact O-N 3.3Š|
| 1573 | T | 31.2 | Very low | 32.4 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | | | trans | -76.2 | 107.5 | 165.1 | 9.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1574 | N | 34.5 | Very low | 32.3 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | | | trans | -97.9 | 124.9 | 158.4 | -81 | -20.1 | 0 | 0 | 0 | 108.5 | P1572 | P1572-N1574 PolarHBondContact O-N 3.3Š|
| 1575 | H | 35 | Very low | 32.4 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | | | trans | -89.8 | 147.8 | 179.8 | -105.4 | -99.5 | 0 | 0 | 0 | 111.9 | | |
| 1576 | L | 33.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 119.5 Ų | 119.5 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | | | trans | 67.4 | 123.9 | 169.7 | -56.4 | 152.9 | 0 | 0 | 0 | 113.3 | | |
| 1577 | N | 33.4 | Very low | 32.2 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | | | cis | -143.7 | 152.7 | 19.2 | -102.5 | -29.4 | 0 | 0 | 0 | 113.4 | | |
| 1578 | T | 32.6 | Very low | 32.4 | Very low | 114 Ų | 114 | 118 Ų | 118 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | | | trans | 7.7 | 131.8 | 145.9 | 57.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1579 | L | 30.7 | Very low | 32.4 | Very low | 152 Ų | 152 | 112.9 Ų | 112.9 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | | | cis | -147.5 | 153.3 | 6.8 | -57.8 | 87.7 | 0 | 0 | 0 | 110.1 | | |
| 1580 | S | 31.5 | Very low | 32.6 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | | | trans | 60.5 | 155.6 | 176.4 | 76.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1581 | S | 32.2 | Very low | 32.8 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | | | cis | -161.6 | 179.3 | 25.3 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1582 | V | 31.2 | Very low | 33 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -136.2 | 78.1 | 150.1 | -111.4 | 0 | 0 | 0 | 0 | 110.1 | S718 S719 | S718-V1582 CarbonylContact C-O 3.59Å; S718-V1582 CarbonylContact O-C 3.36Å; S718-V1582 WeakPolarHBondContact O-CA 3.37Å; S719-V1582 PolarHBondContact N-O 2.97Å |
| 1583 | S | 31 | Very low | 33.3 | Very low | 89 Ų | 89 | 115.1 Ų | 115.1 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | | | trans | -142.5 | 150.4 | 143.8 | -63.5 | 0 | 0 | 0 | 0 | 105.4 | S718 | S718-S1583 WeakPolarHBondContact O-CA 3.44Å; S718-S1583 PolarHBondContact O-N 3.12Å; S718-S1583 VanDerWaalsContact O-N 3.17Å |
| 1584 | S | 32.7 | Very low | 33.7 | Very low | 60 Ų | 60 | 114.2 Ų | 114.2 | 42% | 0.42 | 71% | 0.711 | S | S | . | * | | | trans | -145.6 | 171.4 | -158.2 | 160.7 | 0 | 0 | 0 | 0 | 113.6 | V717 | V717-S1584 WeakPolarHBondContact CB-O 3.21Å; V717-S1584 WeakPolarHBondContact CG1-OG 3.25Å; V717-S1584 WeakPolarHBondContact CG2-O 3.3Å |
| 1585 | S | 31.6 | Very low | 33.8 | Very low | 74 Ų | 74 | 112 Ų | 112 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | | | trans | 65.5 | 153 | -157.2 | 85.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1586 | S | 30.4 | Very low | 33.7 | Very low | 106 Ų | 106 | 108.8 Ų | 108.8 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | | | cis | -139.5 | 169.3 | 11.1 | -73.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1587 | S | 33.6 | Very low | 33.6 | Very low | 102 Ų | 102 | 108.3 Ų | 108.3 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | | | trans | -34.9 | 144 | 166.3 | 54.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1588 | S | 33.7 | Very low | 33.8 | Very low | 103 Ų | 103 | 110.9 Ų | 110.9 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | | | trans | 29.8 | 125.4 | 141.4 | 62.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1589 | S | 33 | Very low | 33.9 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | trans | -61.3 | 138.7 | 156.7 | 33.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1590 | L | 33.4 | Very low | 34.1 | Very low | 159 Ų | 159 | 116.8 Ų | 116.8 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | | | cis | 76.5 | 144.2 | 45.9 | -64.7 | 169 | 0 | 0 | 0 | 113.1 | | |
| 1591 | S | 32.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | | | cis | -163 | -175.8 | -14.2 | 62.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1592 | S | 36.9 | Very low | 35 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | | | cis | -149.3 | 175.8 | 4 | 64.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1593 | S | 45.5 | Very low | 35.4 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | | | | 172.7 | 156.6 | 96.7 | 42.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1594 | S | 38.6 | Very low | 35.8 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | | | cis | -154.1 | 157.8 | 6.8 | 49.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1595 | S | 35.9 | Very low | 36.1 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | | | cis | -169.1 | 179.5 | -10.3 | 49.4 | 0 | 0 | 0 | 0 | 108 | | |
| 1596 | S | 33.3 | Very low | 36.4 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | | | trans | 76.5 | 103.8 | 167.2 | -75.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1597 | D | 32.8 | Very low | 36.6 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | | 74.1 | 118.1 | 116.2 | -45.3 | -35.4 | 0 | 0 | 0 | 121.5 | | |
| 1598 | E | 36.4 | Very low | 36.7 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | | | trans | 73.2 | 120 | 148.8 | -61.4 | -170.2 | 161.4 | 0 | 0 | 123.3 | | |
| 1599 | E | 35.8 | Very low | 36.8 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | trans | 74.2 | 139.4 | 133.3 | -154.1 | 157.9 | -134.6 | 0 | 0 | 122.9 | | |
| 1600 | Y | 33.8 | Very low | 36.9 | Very low | 212 Ų | 212 | 139.6 Ų | 139.6 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | | | trans | -54.3 | 131.1 | -176.6 | -70.3 | -107.6 | 0 | 0 | 0 | 116.3 | | |
| 1601 | H | 41.7 | Very low | 37 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 60% | 0.602 | 74% | 0.738 | S | S | * | * | | | | 169.4 | 142.7 | 109.9 | -106.8 | -32.3 | 0 | 0 | 0 | 116.3 | | |
| 1602 | K | 41.3 | Very low | 37.2 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | | | trans | 66.2 | 159.2 | 137.9 | -78.4 | 179.3 | 173.6 | 174.9 | 0 | 124.7 | | |
| 1603 | D | 40 | Very low | 37.1 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -37.3 | 161.7 | 166.5 | -42.1 | -84.3 | 0 | 0 | 0 | 115.6 | | |
| 1604 | D | 38.9 | Very low | 36.6 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | cis | -170.1 | 162.7 | 45.6 | -166.8 | 9.9 | 0 | 0 | 0 | 113.8 | | |
| 1605 | K | 39.1 | Very low | 36.4 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 62% | 0.617 | 72% | 0.72 | S | S | * | * | | | trans | 40.5 | 134.5 | 155.9 | -89.3 | 169 | -150.3 | 68.4 | 0 | 125.5 | | |
| 1606 | M | 36.8 | Very low | 36.5 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | | | trans | 65.8 | 148.5 | 137.4 | -68.7 | 170.2 | 171.5 | 0 | 0 | 118.3 | | |
| 1607 | D | 35.9 | Very low | 36.7 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | cis | -157.6 | -175.5 | 40.2 | -143.9 | -28.3 | 0 | 0 | 0 | 115.5 | | |
| 1608 | N | 34.4 | Very low | 37 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | | | trans | -63.2 | 152.7 | -167.6 | -78.2 | -88.9 | 0 | 0 | 0 | 119.7 | | |
| 1609 | N | 35.7 | Very low | 37.1 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | | | | 164.3 | 140.5 | 123.6 | -85.5 | -51.2 | 0 | 0 | 0 | 111.5 | | |
| 1610 | K | 36.3 | Very low | 37.3 | Very low | 178 Ų | 178 | 143 Ų | 143 | 77% | 0.774 | 70% | 0.698 | S | S | * | * | | | cis | 121.3 | 93.2 | -3.5 | -175.2 | -167.3 | 174.2 | -179 | 0 | 114.5 | | |
| 1611 | T | 35 | Very low | 37.6 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 81% | 0.81 | 68% | 0.678 | S | S | * | * | | | trans | 174 | 147.6 | 152.9 | 33.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1612 | T | 36.3 | Very low | 37.5 | Very low | 109 Ų | 109 | 137 Ų | 137 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | | | cis | -165 | 136.2 | -4 | 27.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1613 | L | 34.8 | Very low | 37.5 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | | | trans | 54.1 | 150.4 | 142.7 | -73.8 | 76.7 | 0 | 0 | 0 | 121 | | |
| 1614 | K | 36.2 | Very low | 37.3 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | | | cis | -161.2 | 142.3 | -3.3 | -124.4 | -175 | -172.4 | -123.8 | 0 | 114 | | |
| 1615 | E | 34.7 | Very low | 37.4 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 51% | 0.509 | 67% | 0.673 | S | S | . | * | | | trans | 45.2 | 120.4 | 137.7 | -69 | -176.5 | 114.5 | 0 | 0 | 124 | | |
| 1616 | K | 37.7 | Very low | 37.2 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 74% | 0.739 | 68% | 0.677 | S | S | * | * | | | | 75.2 | 143.2 | 100.5 | -66.4 | 171.7 | -170.4 | 164.8 | 0 | 115.1 | | |
| 1617 | K | 38.1 | Very low | 37.1 | Very low | 192 Ų | 192 | 134.3 Ų | 134.3 | 84% | 0.835 | 68% | 0.678 | S | S | * | * | | | cis | -156 | -176.1 | 22.2 | -111.2 | -178.5 | 175.1 | 179.7 | 0 | 108.2 | | |
| 1618 | N | 37.9 | Very low | 37 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 67% | 0.674 | S | S | * | * | | | cis | -178.8 | 130.2 | -48.3 | -103.8 | 45.3 | 0 | 0 | 0 | 111.3 | | |
| 1619 | K | 39.2 | Very low | 37 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 55% | 0.548 | 67% | 0.673 | S | S | . | * | | | trans | 67.7 | 142.5 | 148.2 | -94.7 | -179 | 177.7 | -176.8 | 0 | 119.6 | D1549 P1550 | D1549-K1619 VanDerWaalsContact O-CA 3.25Å; D1549-K1619 WeakPolarHBondContact O-CA 3.47Å; D1549-K1619 PolarHBondContact O-N 3.02Å; P1550-K1619 WeakPolarHBondContact O-CE 3.46Å |
| 1620 | V | 39.3 | Very low | 36.9 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 56% | 0.558 | 67% | 0.667 | S | S | * | * | | | cis | -148.8 | 150.1 | 18.8 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1621 | K | 40.5 | Very low | 36.9 | Very low | 94 Ų | 94 | 128 Ų | 128 | 41% | 0.409 | 66% | 0.659 | S | S | . | * | | | trans | 19.5 | 141.9 | 157.4 | -55.5 | 167.9 | 176 | -177.8 | 0 | 120.4 | I1551 Y1552 | I1551-K1621 WeakPolarHBondContact O-CE 3.24Å; I1551-K1621 PolarHBondContact O-NZ 3.3Å; Y1552-K1621 PolarHBondContact O-NZ 3.1Å |
| 1622 | T | 38.8 | Very low | 36.7 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | | | cis | -157 | 152 | 48.2 | -51.1 | 0 | 0 | 0 | 0 | 114 | | |
| 1623 | K | 42.2 | Very low | 36.5 | Very low | 82 Ų | 82 | 130.3 Ų | 130.3 | 36% | 0.357 | 66% | 0.659 | S | S | . | * | | | trans | -56 | 159.5 | 172.8 | -83.1 | -174.2 | 175 | -175.4 | 0 | 116.3 | Y1552 Y1553 | Y1552-K1623 PolarHBondContact OH-NZ 3.29Å; Y1553-K1623 HydrophobicContact CE1-CD 4.46Å; Y1553-K1623 HydrophobicContact CE2-CD 4.08Å; Y1553-K1623 WeakPolarHBondContact OH-CD 3.43Å |
| 1624 | L | 35.9 | Very low | 36.3 | Very low | 147 Ų | 147 | 130 Ų | 130 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | | | cis | -161.6 | 148 | -18.4 | -165.9 | 69.5 | 0 | 0 | 0 | 110.6 | | |
| 1625 | P | 41.7 | Very low | 36.2 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 62% | 0.623 | 66% | 0.656 | S | S | * | * | | | trans | -93.5 | -176.4 | 174.3 | -1.1 | 23.4 | 0 | 0 | 0 | 113.9 | | |
| 1626 | T | 34 | Very low | 36 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 71% | 0.712 | 67% | 0.665 | S | S | * | * | | | cis | 175.5 | 121 | -28.4 | -87 | 0 | 0 | 0 | 0 | 110 | | |
| 1627 | Y | 34.3 | Very low | 35.7 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | | | trans | 54.3 | -173.9 | 158.8 | -74.4 | -114.3 | 0 | 0 | 0 | 117.2 | | |
| 1628 | D | 34 | Very low | 35.5 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | | | cis | -159 | 179.2 | 2 | -138 | -26.1 | 0 | 0 | 0 | 115.3 | | |
| 1629 | N | 34 | Very low | 35.3 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | | | trans | 74 | 151.7 | 153.2 | -67.1 | 6.1 | 0 | 0 | 0 | 119.7 | | |
| 1630 | D | 33.7 | Very low | 35.1 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 67% | 0.669 | S | S | * | * | | | cis | -168.7 | 165 | -10.9 | -108.1 | -40.8 | 0 | 0 | 0 | 105.8 | | |
| 1631 | S | 36.2 | Very low | 34.9 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | | | cis | 166.5 | 157.4 | -17.5 | -95.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1632 | M | 31.8 | Very low | 34.6 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | | | trans | 67.3 | 152.4 | 167.2 | -60.1 | -83.5 | 98.8 | 0 | 0 | 118.3 | | |
| 1633 | L | 31.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 130 Ų | 130 | 64% | 0.644 | 69% | 0.687 | S | S | * | * | | | cis | -170.2 | 162.8 | -33.7 | -135.2 | -167.3 | 0 | 0 | 0 | 108.7 | | |
| 1634 | I | 31.4 | Very low | 34 | Very low | 140 Ų | 140 | 133 Ų | 133 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | | | trans | 69.5 | 146 | 164.4 | -58.9 | 172.3 | 0 | 0 | 0 | 115.5 | | |
| 1635 | I | 32.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | | | cis | 175.4 | 145 | -40.2 | -99.6 | 160.3 | 0 | 0 | 0 | 105.8 | | |
| 1636 | S | 31.3 | Very low | 33.7 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | | | trans | 65.1 | 160.7 | 175.7 | -70.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1637 | E | 31.9 | Very low | 33.7 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 77% | 0.771 | 71% | 0.705 | S | S | * | * | | | cis | -144 | -173.5 | 8.9 | -147.8 | 129.7 | -116.8 | 0 | 0 | 113 | | |
| 1638 | E | 33.1 | Very low | 33.6 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | | | trans | -44.5 | 166.8 | 167.9 | -63.6 | -177.8 | 138.9 | 0 | 0 | 115.5 | | |
| 1639 | T | 34.5 | Very low | 33.7 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 61% | 0.613 | 71% | 0.71 | S | S | * | * | | | cis | -164.6 | 169.8 | 8.7 | -0.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1640 | D | 34.2 | Very low | 33.8 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | | | trans | 60.1 | 166.3 | 148.3 | -57.2 | -17.9 | 0 | 0 | 0 | 118.5 | | |
| 1641 | D | 34.3 | Very low | 34 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | | | cis | -152.5 | 151.7 | -27.6 | -131 | -11.5 | 0 | 0 | 0 | 110.5 | | |
| 1642 | N | 34.1 | Very low | 34 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | | | trans | 47.4 | 150.9 | 148.1 | -65.7 | -50.8 | 0 | 0 | 0 | 124.7 | | |
| 1643 | N | 36.1 | Very low | 33.9 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | | | trans | 73.3 | 121.6 | 169.7 | -41.9 | -66.2 | 0 | 0 | 0 | 115.8 | | |
| 1644 | D | 32.8 | Very low | 34 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | cis | 95.1 | 137.9 | 40.1 | -83.6 | -36.1 | 0 | 0 | 0 | 116 | | |
| 1645 | H | 35.1 | Very low | 34.1 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | | | trans | 71.1 | 83.1 | 155.5 | -81.8 | -64.3 | 0 | 0 | 0 | 123.2 | | |
| 1646 | T | 35.7 | Very low | 34.3 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | | | | 61.1 | 122.5 | 114.1 | 54.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1647 | S | 34.9 | Very low | 34.4 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | | | | 81.4 | 116.8 | 128.6 | 64.2 | 0 | 0 | 0 | 0 | 124.2 | | |
| 1648 | D | 32 | Very low | 34.4 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | | | | 71.3 | 122.4 | 128.7 | -57 | -7.3 | 0 | 0 | 0 | 123.9 | | |
| 1649 | N | 36 | Very low | 34.3 | Very low | 146 Ų | 146 | 126.5 Ų | 126.5 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | | | trans | -175 | 149.1 | 147.1 | -113.7 | -99.5 | 0 | 0 | 0 | 110.2 | | |
| 1650 | T | 37.3 | Very low | 34.1 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 61% | 0.607 | 72% | 0.721 | S | S | * | * | | | cis | -162.4 | 141.3 | -29.8 | 22.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1651 | T | 36.9 | Very low | 34.1 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | | | trans | -154.3 | 139.2 | 151.5 | -5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1652 | L | 36.2 | Very low | 34.1 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | | | trans | -84.8 | 156.6 | 176.5 | -59 | 158.3 | 0 | 0 | 0 | 109.2 | S1655 | L1652-S1655 VanDerWaalsContact CD2-N 3.26Š|
| 1653 | N | 29.9 | Very low | 34.2 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | S | Bend | cis | -89.3 | 148.6 | 13.8 | -66.4 | -29.2 | 0 | 0 | 0 | 114 | | |
| 1654 | C | 33.7 | Very low | 34.2 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | S | Bend | cis | -143.6 | 114.9 | -4 | -112.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1655 | S | 33.4 | Very low | 34.4 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | trans | 72.3 | 144.5 | 155 | -54.4 | 0 | 0 | 0 | 0 | 118.6 | L1652 | L1652-S1655 VanDerWaalsContact CD2-N 3.26Š|
| 1656 | P | 36.7 | Very low | 34.4 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 60% | 0.597 | 74% | 0.738 | S | S | * | * | | | trans | -138.3 | -168.5 | -143.8 | 41.6 | -20.8 | 0 | 0 | 0 | 114.9 | | |
| 1657 | L | 32.7 | Very low | 34.2 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 63% | 0.634 | 74% | 0.737 | S | S | * | * | | | trans | 75.7 | 134.4 | 157.1 | -98.2 | 61.8 | 0 | 0 | 0 | 119.4 | | |
| 1658 | E | 32.9 | Very low | 34.2 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | trans | 62.8 | 88.1 | 136.5 | -68.3 | 166.4 | 175.1 | 0 | 0 | 119.8 | | |
| 1659 | T | 31.1 | Very low | 34.3 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | | 14.6 | 139.1 | 116.9 | -22.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1660 | I | 30 | Very low | 34.2 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | | | trans | 88.6 | 126.8 | 163.4 | -52.6 | -174.7 | 0 | 0 | 0 | 116 | | |
| 1661 | I | 35 | Very low | 34 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | trans | 85.9 | 103.4 | 174.1 | -65.6 | 148.9 | 0 | 0 | 0 | 118.1 | | |
| 1662 | N | 34 | Very low | 33.8 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | 66.9 | 116.9 | 140.5 | -71.6 | -6.7 | 0 | 0 | 0 | 124.8 | | |
| 1663 | I | 35.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 131 Ų | 131 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | | | | 96.2 | 128.8 | 126.3 | -67.9 | 168.8 | 0 | 0 | 0 | 120.8 | | |
| 1664 | N | 35.1 | Very low | 33.8 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | | | trans | 58.1 | 99 | 162.9 | -77.1 | -8.7 | 0 | 0 | 0 | 120.5 | | |
| 1665 | M | 37.4 | Very low | 33.9 | Very low | 184 Ų | 184 | 131.4 Ų | 131.4 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | | | | 89 | 149.5 | 73 | -83.3 | -64.8 | -176.1 | 0 | 0 | 115.2 | | |
| 1666 | N | 35 | Very low | 33.9 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | | | trans | -123.6 | -175.1 | -159.8 | -159.4 | -2.3 | 0 | 0 | 0 | 112.4 | | |
| 1667 | C | 32 | Very low | 33.9 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | trans | -79.7 | 161.5 | -159.4 | -59 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1668 | T | 35.5 | Very low | 34.1 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | | | trans | 71.8 | 116.2 | 144.5 | 41 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1669 | N | 33.4 | Very low | 34.2 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | 74.4 | 108.7 | 133.8 | -73.2 | -6.4 | 0 | 0 | 0 | 122.7 | | |
| 1670 | V | 33.8 | Very low | 34.3 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | | | | 94.6 | 118.2 | 123.6 | 172.4 | 0 | 0 | 0 | 0 | 119 | | |
| 1671 | S | 33.9 | Very low | 34.5 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | 86 | 115.6 | 164.2 | -53.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1672 | T | 33.4 | Very low | 34.5 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | 40.3 | 130.1 | 134.4 | 61.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1673 | T | 34.3 | Very low | 34.5 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | cis | -157 | 157.7 | 40.5 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1674 | D | 31.1 | Very low | 34.3 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | trans | -69.3 | 167.7 | 178 | -48.1 | -97.4 | 0 | 0 | 0 | 115.3 | | |
| 1675 | V | 36.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | | 171.3 | 116.7 | 105.1 | 158.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1676 | S | 32.7 | Very low | 34 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 63.3 | 158.3 | 158 | 79.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1677 | T | 37 | Very low | 33.8 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | cis | -136.1 | 150.1 | 11.3 | 49.2 | 0 | 0 | 0 | 0 | 113 | | |
| 1678 | T | 36.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | | | trans | 52.6 | 135.6 | 147.3 | 53.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1679 | D | 35.2 | Very low | 33.8 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | cis | -140.2 | 164.8 | 21 | -102.3 | -39.4 | 0 | 0 | 0 | 114.3 | | |
| 1680 | S | 32.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -123.2 | 125.2 | -176 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1681 | S | 34.4 | Very low | 34 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -162.8 | 123 | 155.2 | 68.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1682 | V | 36.4 | Very low | 34 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | | 96.4 | 113.5 | 79 | 163.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1683 | Y | 33.9 | Very low | 34.1 | Very low | 210 Ų | 210 | 133 Ų | 133 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | 62.7 | 119.3 | 152 | -83.6 | -121.6 | 0 | 0 | 0 | 121.8 | | |
| 1684 | S | 31.7 | Very low | 34.2 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | | 43 | 121.2 | 120.1 | -46.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1685 | S | 34.8 | Very low | 34.3 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | | -175.3 | 143.6 | 73.1 | -68.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1686 | N | 31.4 | Very low | 34.4 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | 13.6 | 123.9 | 137.4 | -82.6 | -14.3 | 0 | 0 | 0 | 121 | | |
| 1687 | S | 29.9 | Very low | 34.8 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | | 102.1 | 153.1 | 119.8 | -156.6 | 0 | 0 | 0 | 0 | 121 | | |
| 1688 | I | 34.2 | Very low | 34.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | | | trans | 79.8 | 111.8 | 157.2 | -80.1 | 154 | 0 | 0 | 0 | 118.9 | | |
| 1689 | K | 34 | Very low | 34.5 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | | | trans | 68.1 | 148.4 | 151.5 | -69.8 | 171.6 | -164.8 | 173.2 | 0 | 117.9 | | |
| 1690 | S | 34.3 | Very low | 34.5 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | | | cis | -165.7 | 170.1 | -12.1 | 42.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1691 | E | 35.4 | Very low | 34.6 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | 85.5 | 136.2 | 162.4 | -50.3 | -165.8 | 146.3 | 0 | 0 | 119.8 | | |
| 1692 | S | 35.8 | Very low | 34.6 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | 61 | 89.2 | 155 | -160.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1693 | L | 34.9 | Very low | 34.5 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | | 45.8 | 105.8 | 124.9 | -65.9 | 162.8 | 0 | 0 | 0 | 119.8 | | |
| 1694 | T | 35.3 | Very low | 34.5 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | | | | -169.6 | 166.9 | 129.2 | 10 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1695 | L | 33.4 | Very low | 34.7 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | | | trans | 88.2 | 84 | 174.6 | -60.1 | 172.5 | 0 | 0 | 0 | 118.4 | | |
| 1696 | E | 38.1 | Very low | 34.7 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | | | trans | -82.5 | 153.2 | 138.9 | -73.2 | -170.8 | 134.7 | 0 | 0 | 109.5 | | |
| 1697 | I | 41.5 | Very low | 35 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 71% | 0.708 | 83% | 0.834 | S | S | * | * | | | cis | -147.5 | 131.2 | -14.5 | -98.8 | 153.3 | 0 | 0 | 0 | 106.6 | | |
| 1698 | S | 33.2 | Very low | 35.5 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 100% | 1.399 | 85% | 0.845 | S | S | * | * | | | trans | -169.6 | 0 | 155.3 | -77.9 | 0 | 0 | 0 | 0 | 109.8 | | |