| 1 | M | 86.4 | Confident | 94.1 | Very high | 162 Ų | 162 | 104.5 Ų | 104.5 | 80% | 0.798 | 56% | 0.563 | S | S | * | * | | | | 0 | -56.8 | 0 | -74.6 | -53.6 | -71.2 | 0 | 0 | 109.4 | E3 L4 V5 | M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.48Å; M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 2.89Å; M1-V5 PolarHBondContact O-N 3.37Å |
| 2 | D | 91 | Very high | 94.1 | Very high | 135 Ų | 135 | 105.1 Ų | 105.1 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -34.8 | -174.5 | -39.3 | -69.2 | 0 | 0 | 0 | 112.5 | L4 V5 Q6 | D2-L4 PolarHBondContact O-N 3.47Å; D2-V5 WeakPolarHBondContact O-CB 3.32Å; D2-V5 PolarHBondContact O-N 3.16Å; D2-V5 VanDerWaalsContact O-N 3.13Å; D2-Q6 PolarHBondContact O-N 3.15Å |
| 3 | E | 92.3 | Very high | 93.7 | Very high | 154 Ų | 154 | 106.5 Ų | 106.5 | 72% | 0.72 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -54.8 | -46.7 | 169.9 | -63.9 | 163.4 | 154.9 | 0 | 0 | 112.3 | M1 V5 Q6 D7 | M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.48Å; E3-V5 VanDerWaalsContact C-N 3.29Å; E3-V5 PolarHBondContact O-N 2.99Å; E3-Q6 WeakPolarHBondContact O-CB 3.35Å; E3-Q6 PolarHBondContact O-N 3.23Å; E3-Q6 VanDerWaalsContact O-N 3.16Å; E3-D7 PolarHBondContact O-N 3.29Å |
| 4 | L | 95.9 | Very high | 93.1 | Very high | 116 Ų | 116 | 108 Ų | 108 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.9 | -27.3 | 177.9 | -61.6 | 172.8 | 0 | 0 | 0 | 112.6 | M1 D2 L8 | M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 2.89Å; D2-L4 PolarHBondContact O-N 3.47Å; L4-L8 VanDerWaalsContact O-CB 3.28Å; L4-L8 WeakPolarHBondContact O-CB 3.13Å; L4-L8 PolarHBondContact O-N 3.24Å; L4-L8 VanDerWaalsContact O-N 3.1Å |
| 5 | V | 95.6 | Very high | 92.1 | Very high | 85 Ų | 85 | 104.7 Ų | 104.7 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.9 | -42 | 172 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | M1 D2 E3 L8 V9 | M1-V5 PolarHBondContact O-N 3.37Å; D2-V5 WeakPolarHBondContact O-CB 3.32Å; D2-V5 PolarHBondContact O-N 3.16Å; D2-V5 VanDerWaalsContact O-N 3.13Å; E3-V5 VanDerWaalsContact C-N 3.29Å; E3-V5 PolarHBondContact O-N 2.99Å; V5-L8 PolarHBondContact O-N 3.2Å; V5-V9 WeakPolarHBondContact O-CB 3.37Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.34Å; V5-V9 PolarHBondContact O-N 2.83Å |
| 6 | Q | 97.1 | Very high | 91.2 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 176.8 | -165.9 | 64.1 | 45.9 | 0 | 0 | 111.9 | D2 E3 V9 S10 | D2-Q6 PolarHBondContact O-N 3.15Å; E3-Q6 WeakPolarHBondContact O-CB 3.35Å; E3-Q6 PolarHBondContact O-N 3.23Å; E3-Q6 VanDerWaalsContact O-N 3.16Å; Q6-V9 PolarHBondContact O-N 3.35Å; Q6-S10 WeakPolarHBondContact O-CB 2.92Å; Q6-S10 PolarHBondContact O-N 3.16Å; Q6-S10 PolarHBondContact O-OG 2.62Å |
| 7 | D | 97 | Very high | 90.1 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 173.6 | -71.4 | -22.6 | 0 | 0 | 0 | 111.3 | E3 S10 A11 | E3-D7 PolarHBondContact O-N 3.29Å; D7-S10 PolarHBondContact O-N 3.33Å; D7-A11 WeakPolarHBondContact O-CB 3.39Å; D7-A11 PolarHBondContact O-N 2.89Å |
| 8 | L | 96.3 | Very high | 89 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 178.5 | -179.5 | 62.9 | 0 | 0 | 0 | 112.3 | L4 V5 A11 L12 | L4-L8 VanDerWaalsContact O-CB 3.28Å; L4-L8 WeakPolarHBondContact O-CB 3.13Å; L4-L8 PolarHBondContact O-N 3.24Å; L4-L8 VanDerWaalsContact O-N 3.1Å; V5-L8 PolarHBondContact O-N 3.2Å; L8-A11 PolarHBondContact O-N 3.04Å; L8-L12 HydrophobicContact CD1-CD1 4.35Å; L8-L12 HydrophobicContact CD1-CG 4.47Å; L8-L12 HydrophobicContact CG-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.02Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 3.47Å |
| 9 | V | 95 | Very high | 88 | Confident | 73 Ų | 73 | 102.7 Ų | 102.7 | 44% | 0.442 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.6 | 168.4 | 0 | 0 | 0 | 0 | 110.4 | V5 Q6 A11 L12 E13 | V5-V9 WeakPolarHBondContact O-CB 3.37Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.34Å; V5-V9 PolarHBondContact O-N 2.83Å; Q6-V9 PolarHBondContact O-N 3.35Å; V9-A11 PolarHBondContact O-N 3.1Å; V9-L12 PolarHBondContact O-N 3.19Å; V9-E13 WeakPolarHBondContact O-CB 3.27Å; V9-E13 PolarHBondContact O-N 3.24Å |
| 10 | S | 94.9 | Very high | 87.1 | Confident | 39 Ų | 39 | 103.2 Ų | 103.2 | 27% | 0.273 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | Q6 D7 E13 Q14 | Q6-S10 WeakPolarHBondContact O-CB 2.92Å; Q6-S10 PolarHBondContact O-N 3.16Å; Q6-S10 PolarHBondContact O-OG 2.62Å; D7-S10 PolarHBondContact O-N 3.33Å; S10-E13 PolarHBondContact O-N 3.32Å; S10-Q14 WeakPolarHBondContact O-CB 3.28Å; S10-Q14 VanDerWaalsContact O-CG 3.28Å; S10-Q14 WeakPolarHBondContact O-CG 3.31Å; S10-Q14 PolarHBondContact O-N 3.44Å |
| 11 | A | 93.8 | Very high | 86 | Confident | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D7 L8 V9 A15 | D7-A11 WeakPolarHBondContact O-CB 3.39Å; D7-A11 PolarHBondContact O-N 2.89Å; L8-A11 PolarHBondContact O-N 3.04Å; V9-A11 PolarHBondContact O-N 3.1Å; A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 3.14Å |
| 12 | L | 94.1 | Very high | 85.3 | Confident | 111 Ų | 111 | 96 Ų | 96 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.6 | -38.3 | 174.9 | -72.7 | 169.8 | 0 | 0 | 0 | 112 | L8 V9 A15 S16 | L8-L12 HydrophobicContact CD1-CD1 4.35Å; L8-L12 HydrophobicContact CD1-CG 4.47Å; L8-L12 HydrophobicContact CG-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.02Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 3.47Å; V9-L12 PolarHBondContact O-N 3.19Å; L12-A15 PolarHBondContact O-N 3.42Å; L12-S16 PolarHBondContact O-N 3.23Å |
| 13 | E | 89.3 | Confident | 84.3 | Confident | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -50.4 | 174.9 | -174.8 | 162.1 | -142 | 0 | 0 | 111 | V9 S10 A15 S16 E17 | V9-E13 WeakPolarHBondContact O-CB 3.27Å; V9-E13 PolarHBondContact O-N 3.24Å; S10-E13 PolarHBondContact O-N 3.32Å; E13-A15 VanDerWaalsContact C-N 3.34Å; E13-A15 PolarHBondContact O-N 3.46Å; E13-S16 WeakPolarHBondContact O-CA 3.31Å; E13-S16 WeakPolarHBondContact O-CB 3.31Å; E13-S16 PolarHBondContact O-N 3.41Å; E13-S16 PolarHBondContact O-OG 3.29Å; E13-E17 PolarHBondContact O-N 3.46Å; E13-E17 VanDerWaalsContact O-N 3.16Å |
| 14 | Q | 84.3 | Confident | 83.1 | Confident | 127 Ų | 127 | 91.8 Ų | 91.8 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.5 | -41.9 | 174.9 | -71.4 | 172.6 | 15.6 | 0 | 0 | 112.5 | S10 S16 E17 Q18 | S10-Q14 WeakPolarHBondContact O-CB 3.28Å; S10-Q14 VanDerWaalsContact O-CG 3.28Å; S10-Q14 WeakPolarHBondContact O-CG 3.31Å; S10-Q14 PolarHBondContact O-N 3.44Å; Q14-S16 VanDerWaalsContact C-N 3.3Å; Q14-S16 PolarHBondContact O-N 3.45Å; Q14-E17 PolarHBondContact O-N 3.04Å; Q14-Q18 PolarHBondContact O-N 2.82Å; Q14-Q18 VanDerWaalsContact O-N 3.12Å |
| 15 | A | 78.6 | Confident | 81.8 | Confident | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A11 L12 E13 E17 Q18 N19 | A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 3.14Å; L12-A15 PolarHBondContact O-N 3.42Å; E13-A15 VanDerWaalsContact C-N 3.34Å; E13-A15 PolarHBondContact O-N 3.46Å; A15-E17 VanDerWaalsContact C-N 3.3Å; A15-E17 PolarHBondContact O-N 3Å; A15-Q18 PolarHBondContact O-N 2.87Å; A15-N19 PolarHBondContact O-N 2.84Å |
| 16 | S | 77.7 | Confident | 80.7 | Confident | 45 Ų | 45 | 96 Ų | 96 | 32% | 0.315 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -34.5 | 174.6 | 87.7 | 0 | 0 | 0 | 0 | 112.5 | L12 E13 Q14 N19 K20 | L12-S16 PolarHBondContact O-N 3.23Å; E13-S16 WeakPolarHBondContact O-CA 3.31Å; E13-S16 WeakPolarHBondContact O-CB 3.31Å; E13-S16 PolarHBondContact O-N 3.41Å; E13-S16 PolarHBondContact O-OG 3.29Å; Q14-S16 VanDerWaalsContact C-N 3.3Å; Q14-S16 PolarHBondContact O-N 3.45Å; S16-N19 PolarHBondContact O-N 3.4Å; S16-K20 WeakPolarHBondContact O-CE 3.39Å; S16-K20 WeakPolarHBondContact O-CG 3.22Å; S16-K20 PolarHBondContact O-N 3.44Å; S16-K20 VanDerWaalsContact O-N 3.09Å; S16-K20 PolarHBondContact OG-NZ 3.05Å; S16-K20 VanDerWaalsContact OG-NZ 3.1Å |
| 17 | E | 71.8 | Confident | 79.4 | Confident | 105 Ų | 105 | 96.5 Ų | 96.5 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.9 | -36.2 | 177 | -63 | -166.7 | 139.9 | 0 | 0 | 112.3 | E13 Q14 A15 N19 K20 L21 | E13-E17 PolarHBondContact O-N 3.46Å; E13-E17 VanDerWaalsContact O-N 3.16Å; Q14-E17 PolarHBondContact O-N 3.04Å; A15-E17 VanDerWaalsContact C-N 3.3Å; A15-E17 PolarHBondContact O-N 3Å; E17-N19 VanDerWaalsContact C-N 3.27Å; E17-N19 PolarHBondContact O-N 2.92Å; E17-K20 PolarHBondContact O-N 3.27Å; E17-L21 PolarHBondContact O-N 3.41Å |
| 18 | Q | 70.4 | Confident | 78.3 | Confident | 129 Ų | 129 | 97 Ų | 97 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -34 | 169.9 | -63.5 | -56.6 | -51.3 | 0 | 0 | 111.9 | Q14 A15 L21 G22 | Q14-Q18 PolarHBondContact O-N 2.82Å; Q14-Q18 VanDerWaalsContact O-N 3.12Å; A15-Q18 PolarHBondContact O-N 2.87Å; Q18-L21 PolarHBondContact O-N 2.72Å; Q18-G22 PolarHBondContact O-N 3.41Å |
| 19 | N | 71.1 | Confident | 77.1 | Confident | 102 Ų | 102 | 96 Ų | 96 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 174.1 | -155.9 | 81.2 | 0 | 0 | 0 | 112.4 | A15 S16 E17 L21 G22 E23 | A15-N19 PolarHBondContact O-N 2.84Å; S16-N19 PolarHBondContact O-N 3.4Å; E17-N19 VanDerWaalsContact C-N 3.27Å; E17-N19 PolarHBondContact O-N 2.92Å; N19-L21 VanDerWaalsContact C-N 3.27Å; N19-L21 PolarHBondContact O-N 3.36Å; N19-G22 WeakPolarHBondContact O-CA 3.33Å; N19-G22 PolarHBondContact O-N 3.3Å; N19-E23 PolarHBondContact ND2-OE1 3.28Å; N19-E23 PolarHBondContact O-N 2.92Å |
| 20 | K | 69.1 | Low | 75.6 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 173.8 | -64.2 | 162.2 | -149.8 | 157.4 | 0 | 111.6 | S16 E17 L24 | S16-K20 WeakPolarHBondContact O-CE 3.39Å; S16-K20 WeakPolarHBondContact O-CG 3.22Å; S16-K20 PolarHBondContact O-N 3.44Å; S16-K20 VanDerWaalsContact O-N 3.09Å; S16-K20 PolarHBondContact OG-NZ 3.05Å; S16-K20 VanDerWaalsContact OG-NZ 3.1Å; E17-K20 PolarHBondContact O-N 3.27Å; K20-L24 WeakPolarHBondContact O-CB 3.26Å; K20-L24 PolarHBondContact O-N 2.65Å; K20-L24 VanDerWaalsContact O-N 3.13Å |
| 21 | L | 64.9 | Low | 74 | Confident | 78 Ų | 78 | 96.7 Ų | 96.7 | 41% | 0.408 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 171.3 | -80.7 | 168.9 | 0 | 0 | 0 | 111.8 | E17 Q18 N19 L24 W25 | E17-L21 PolarHBondContact O-N 3.41Å; Q18-L21 PolarHBondContact O-N 2.72Å; N19-L21 VanDerWaalsContact C-N 3.27Å; N19-L21 PolarHBondContact O-N 3.36Å; L21-L24 CarbonylContact O-C 3.6Å; L21-L24 PolarHBondContact O-N 3.36Å; L21-W25 PolarHBondContact O-N 3Å |
| 22 | G | 71.4 | Confident | 72.4 | Confident | 36 Ų | 36 | 97.7 Ų | 97.7 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q18 N19 L24 W25 E26 | Q18-G22 PolarHBondContact O-N 3.41Å; N19-G22 WeakPolarHBondContact O-CA 3.33Å; N19-G22 PolarHBondContact O-N 3.3Å; G22-L24 VanDerWaalsContact C-N 3.34Å; G22-L24 PolarHBondContact O-N 3.38Å; G22-W25 PolarHBondContact O-N 3.37Å; G22-E26 PolarHBondContact O-N 2.93Å |
| 23 | E | 68.9 | Low | 70.6 | Confident | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 174.1 | -69.3 | 164.5 | -149.6 | 0 | 0 | 111.6 | N19 E26 E27 | N19-E23 PolarHBondContact ND2-OE1 3.28Å; N19-E23 PolarHBondContact O-N 2.92Å; E23-E26 PolarHBondContact O-N 2.74Å; E23-E27 PolarHBondContact O-N 2.94Å |
| 24 | L | 68 | Low | 69 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.6 | -34 | 177 | -174.1 | 141.8 | 0 | 0 | 0 | 112.9 | K20 L21 G22 M28 | K20-L24 WeakPolarHBondContact O-CB 3.26Å; K20-L24 PolarHBondContact O-N 2.65Å; K20-L24 VanDerWaalsContact O-N 3.13Å; L21-L24 CarbonylContact O-C 3.6Å; L21-L24 PolarHBondContact O-N 3.36Å; G22-L24 VanDerWaalsContact C-N 3.34Å; G22-L24 PolarHBondContact O-N 3.38Å; L24-M28 HydrophobicContact CD2-CG 4.25Å; L24-M28 HydrophobicContact CD2-SD 3.63Å; L24-M28 VanDerWaalsContact O-CB 3.31Å; L24-M28 WeakPolarHBondContact O-CB 3.33Å; L24-M28 VanDerWaalsContact O-CG 3.31Å; L24-M28 WeakPolarHBondContact O-CG 3.49Å; L24-M28 PolarHBondContact O-N 2.92Å |
| 25 | W | 67.6 | Low | 67.7 | Low | 163 Ų | 163 | 97 Ų | 97 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -40.7 | 170.2 | -78 | 114.4 | 0 | 0 | 0 | 111.5 | L21 G22 M28 V29 | L21-W25 PolarHBondContact O-N 3Å; G22-W25 PolarHBondContact O-N 3.37Å; W25-M28 PolarHBondContact O-N 3.47Å; W25-V29 WeakPolarHBondContact O-CB 3.49Å; W25-V29 VanDerWaalsContact O-CG2 3.26Å; W25-V29 WeakPolarHBondContact O-CG2 3.28Å; W25-V29 PolarHBondContact O-N 3.22Å |
| 26 | E | 73.1 | Confident | 66.6 | Low | 127 Ų | 127 | 100.7 Ų | 100.7 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 175.8 | -174.9 | 162 | -160.9 | 0 | 0 | 111.3 | G22 E23 V29 L30 | G22-E26 PolarHBondContact O-N 2.93Å; E23-E26 PolarHBondContact O-N 2.74Å; E26-V29 PolarHBondContact O-N 3.26Å; E26-L30 HydrophobicContact CG-CD1 3.61Å; E26-L30 HydrophobicContact CG-CG 4.19Å; E26-L30 WeakPolarHBondContact O-CB 3.47Å; E26-L30 VanDerWaalsContact O-CG 3.27Å; E26-L30 WeakPolarHBondContact O-CG 3.31Å; E26-L30 PolarHBondContact O-N 2.88Å |
| 27 | E | 70.6 | Confident | 65.7 | Low | 133 Ų | 133 | 108 Ų | 108 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60 | -48.1 | 171.9 | -171.2 | -179.9 | 179.5 | 0 | 0 | 111.8 | E23 V29 L30 S31 | E23-E27 PolarHBondContact O-N 2.94Å; E27-V29 VanDerWaalsContact C-N 3.3Å; E27-V29 PolarHBondContact O-N 2.81Å; E27-L30 PolarHBondContact O-N 2.89Å; E27-S31 WeakPolarHBondContact O-CB 3.49Å; E27-S31 PolarHBondContact O-N 3.37Å |
| 28 | M | 72.3 | Confident | 65.1 | Low | 113 Ų | 113 | 109.4 Ų | 109.4 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65 | -28.5 | 179.4 | -78.8 | -173.7 | 62.4 | 0 | 0 | 113.8 | L24 W25 P32 | L24-M28 HydrophobicContact CD2-CG 4.25Å; L24-M28 HydrophobicContact CD2-SD 3.63Å; L24-M28 VanDerWaalsContact O-CB 3.31Å; L24-M28 WeakPolarHBondContact O-CB 3.33Å; L24-M28 VanDerWaalsContact O-CG 3.31Å; L24-M28 WeakPolarHBondContact O-CG 3.49Å; L24-M28 PolarHBondContact O-N 2.92Å; W25-M28 PolarHBondContact O-N 3.47Å; M28-P32 WeakPolarHBondContact O-CD 3.35Å; M28-P32 WeakPolarHBondContact O-CG 3.28Å |
| 29 | V | 71.2 | Confident | 64.4 | Low | 86 Ų | 86 | 109.2 Ų | 109.2 | 52% | 0.521 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -80.7 | -43.5 | 175.2 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | W25 E26 E27 L33 | W25-V29 WeakPolarHBondContact O-CB 3.49Å; W25-V29 VanDerWaalsContact O-CG2 3.26Å; W25-V29 WeakPolarHBondContact O-CG2 3.28Å; W25-V29 PolarHBondContact O-N 3.22Å; E26-V29 PolarHBondContact O-N 3.26Å; E27-V29 VanDerWaalsContact C-N 3.3Å; E27-V29 PolarHBondContact O-N 2.81Å; V29-L33 HydrophobicContact CG1-CD1 4.48Å; V29-L33 VanDerWaalsContact O-CD1 3.28Å; V29-L33 WeakPolarHBondContact O-CD1 3.41Å; V29-L33 VanDerWaalsContact O-CG 3.31Å; V29-L33 WeakPolarHBondContact O-CG 3.3Å |
| 30 | L | 63.4 | Low | 63.6 | Low | 80 Ų | 80 | 114.4 Ų | 114.4 | 42% | 0.419 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -80.6 | -39.4 | -173.8 | -64.3 | 179.2 | 0 | 0 | 0 | 113.4 | E26 E27 L33 Q34 | E26-L30 HydrophobicContact CG-CD1 3.61Å; E26-L30 HydrophobicContact CG-CG 4.19Å; E26-L30 WeakPolarHBondContact O-CB 3.47Å; E26-L30 VanDerWaalsContact O-CG 3.27Å; E26-L30 WeakPolarHBondContact O-CG 3.31Å; E26-L30 PolarHBondContact O-N 2.88Å; E27-L30 PolarHBondContact O-N 2.89Å; L30-L33 PolarHBondContact O-N 3.27Å; L30-Q34 PolarHBondContact O-N 3.26Å |
| 31 | S | 61.4 | Low | 63.1 | Low | 48 Ų | 48 | 120 Ų | 120 | 34% | 0.336 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.7 | -45.6 | -173.5 | -175.9 | 0 | 0 | 0 | 0 | 113.8 | E27 L33 Q34 H35 | E27-S31 WeakPolarHBondContact O-CB 3.49Å; E27-S31 PolarHBondContact O-N 3.37Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.99Å; S31-Q34 PolarHBondContact O-N 2.95Å; S31-H35 PolarHBondContact O-N 3.34Å; S31-H35 PolarHBondContact O-ND1 3.12Å |
| 32 | P | 60.5 | Low | 62.8 | Low | 73 Ų | 73 | 126.6 Ų | 126.6 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.7 | -34.1 | 177 | -22 | 35.2 | 0 | 0 | 0 | 113.1 | M28 Q34 H35 R36 | M28-P32 WeakPolarHBondContact O-CD 3.35Å; M28-P32 WeakPolarHBondContact O-CG 3.28Å; P32-Q34 VanDerWaalsContact C-N 3.33Å; P32-Q34 PolarHBondContact O-N 3.14Å; P32-H35 PolarHBondContact O-N 3.07Å; P32-R36 VanDerWaalsContact O-CB 3.31Å; P32-R36 WeakPolarHBondContact O-CB 3.44Å; P32-R36 PolarHBondContact O-N 3.09Å |
| 33 | L | 56.7 | Low | 62.2 | Low | 96 Ų | 96 | 136.8 Ų | 136.8 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -34.8 | -179.1 | -69.6 | 175.8 | 0 | 0 | 0 | 112.4 | V29 L30 S31 R37 | V29-L33 HydrophobicContact CG1-CD1 4.48Å; V29-L33 VanDerWaalsContact O-CD1 3.28Å; V29-L33 WeakPolarHBondContact O-CD1 3.41Å; V29-L33 VanDerWaalsContact O-CG 3.31Å; V29-L33 WeakPolarHBondContact O-CG 3.3Å; L30-L33 PolarHBondContact O-N 3.27Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.99Å; L33-R37 WeakPolarHBondContact O-CG 3.5Å |
| 34 | Q | 56.8 | Low | 61.7 | Low | 136 Ų | 136 | 134.7 Ų | 134.7 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.2 | -48.4 | 176.2 | -63.5 | -172.7 | 24.1 | 0 | 0 | 111.6 | L30 S31 P32 R36 R37 | L30-Q34 PolarHBondContact O-N 3.26Å; S31-Q34 PolarHBondContact O-N 2.95Å; P32-Q34 VanDerWaalsContact C-N 3.33Å; P32-Q34 PolarHBondContact O-N 3.14Å; Q34-R36 PolarHBondContact O-N 3.43Å; Q34-R37 PolarHBondContact O-N 3.13Å |
| 35 | H | 56.4 | Low | 60.9 | Low | 116 Ų | 116 | 139.9 Ų | 139.9 | 54% | 0.537 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.7 | -43.8 | 179.7 | -70.7 | 92.4 | 0 | 0 | 0 | 112.4 | S31 P32 R37 Q38 I39 | S31-H35 PolarHBondContact O-N 3.34Å; S31-H35 PolarHBondContact O-ND1 3.12Å; P32-H35 PolarHBondContact O-N 3.07Å; H35-R37 PolarHBondContact O-N 3.43Å; H35-Q38 PolarHBondContact O-N 3.44Å; H35-Q38 VanDerWaalsContact O-N 3.14Å; H35-I39 PolarHBondContact O-N 3.35Å |
| 36 | R | 56 | Low | 60.3 | Low | 135 Ų | 135 | 142.6 Ų | 142.6 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.1 | -29.3 | -179.6 | -160 | 170.9 | -169.5 | -177.4 | 3.5 | 112.9 | P32 Q34 E233 | P32-R36 VanDerWaalsContact O-CB 3.31Å; P32-R36 WeakPolarHBondContact O-CB 3.44Å; P32-R36 PolarHBondContact O-N 3.09Å; Q34-R36 PolarHBondContact O-N 3.43Å; R36-E233 IonicContact CZ-OE1 3.95Å; R36-E233 IonicContact CZ-OE2 3.38Å; R36-E233 IonicContact NH1-OE1 3.27Å; R36-E233 PolarHBondContact NH1-OE1 3.04Å; R36-E233 IonicContact NH2-OE1 3.05Å; R36-E233 PolarHBondContact NH2-OE1 3.33Å; R36-E233 IonicContact NH2-OE2 2.65Å; R36-E233 PolarHBondContact NH2-OE2 2.97Å |
| 37 | R | 57.4 | Low | 59.3 | Low | 199 Ų | 199 | 145.9 Ų | 145.9 | 75% | 0.751 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.5 | -32.2 | 176 | -73.9 | 176.4 | -179.1 | -145.9 | 0.6 | 113.5 | L33 Q34 H35 | L33-R37 WeakPolarHBondContact O-CG 3.5Å; Q34-R37 PolarHBondContact O-N 3.13Å; H35-R37 PolarHBondContact O-N 3.43Å |
| 38 | Q | 59.3 | Low | 58.2 | Low | 133 Ų | 133 | 146.2 Ų | 146.2 | 62% | 0.621 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72 | -41.9 | 176.8 | -64.5 | -162.5 | 14.6 | 0 | 0 | 112.4 | H35 R40 R41 | H35-Q38 PolarHBondContact O-N 3.44Å; H35-Q38 VanDerWaalsContact O-N 3.14Å; Q38-R40 PolarHBondContact O-N 2.9Å; Q38-R41 PolarHBondContact O-N 3.44Å |
| 39 | I | 55.5 | Low | 56.9 | Low | 126 Ų | 126 | 149 Ų | 149 | 65% | 0.646 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.2 | -43.2 | -172.6 | -64.6 | 168.2 | 0 | 0 | 0 | 111.7 | H35 R41 R42 | H35-I39 PolarHBondContact O-N 3.35Å; I39-R41 PolarHBondContact O-N 2.97Å; I39-R41 VanDerWaalsContact O-N 3.1Å; I39-R42 PolarHBondContact O-N 3.33Å; I39-R42 VanDerWaalsContact O-N 3.16Å |
| 40 | R | 54.9 | Low | 55.4 | Low | 210 Ų | 210 | 152.6 Ų | 152.6 | 79% | 0.792 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -16.6 | 178.6 | -69.3 | -175.8 | 78.2 | 132.8 | -3.4 | 113.9 | Q38 | Q38-R40 PolarHBondContact O-N 2.9Š|
| 41 | R | 58.5 | Low | 54.5 | Low | 230 Ų | 230 | 153.6 Ų | 153.6 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -7 | 176.8 | -79 | -171.2 | 160.5 | -157.1 | -5.5 | 115.2 | Q38 I39 | Q38-R41 PolarHBondContact O-N 3.44Å; I39-R41 PolarHBondContact O-N 2.97Å; I39-R41 VanDerWaalsContact O-N 3.1Å |
| 42 | R | 58.1 | Low | 53.4 | Low | 217 Ų | 217 | 156.2 Ų | 156.2 | 82% | 0.819 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -26.5 | -176.9 | -66.1 | -167.2 | 178.9 | -151.3 | 1.9 | 115.4 | I39 G44 | I39-R42 PolarHBondContact O-N 3.33Å; I39-R42 VanDerWaalsContact O-N 3.16Å; R42-G44 PolarHBondContact O-N 2.88Å |
| 43 | R | 59.4 | Low | 52.9 | Low | 250 Ų | 250 | 160.4 Ų | 160.4 | 94% | 0.943 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 74.8 | 172.3 | -78.3 | -169.4 | 171.2 | -151.5 | 0.2 | 111.7 | | |
| 44 | G | 58.6 | Low | 52 | Low | 71 Ų | 71 | 165.8 Ų | 165.8 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170 | 1.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | R42 | R42-G44 PolarHBondContact O-N 2.88Š|
| 45 | R | 51 | Low | 51.6 | Low | 196 Ų | 196 | 164.5 Ų | 164.5 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | | | trans | -139.5 | 110.7 | 175.2 | -106 | -177.1 | 178.5 | -117.7 | 6.1 | 111 | R47 | R45-R47 VanDerWaalsContact C-N 3.35Å; R45-R47 PolarHBondContact O-N 2.88Å |
| 46 | K | 54.1 | Low | 51.1 | Low | 220 Ų | 220 | 166.4 Ų | 166.4 | 96% | 0.957 | 77% | 0.768 | S | S | * | * | | | trans | -64 | 100.1 | 153.1 | -77.6 | -175.1 | 173.8 | -177.4 | 0 | 106.8 | | |
| 47 | R | 53.1 | Low | 50.8 | Low | 195 Ų | 195 | 164 Ų | 164 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -92 | 114.5 | 164.4 | -87.1 | -179.9 | -82.3 | -136.1 | -1.4 | 107.2 | R45 H49 | R45-R47 VanDerWaalsContact C-N 3.35Å; R45-R47 PolarHBondContact O-N 2.88Å; R47-H49 PolarHBondContact O-N 2.82Å |
| 48 | L | 47.8 | Very low | 49.6 | Very low | 140 Ų | 140 | 166.5 Ų | 166.5 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -57.7 | 117.6 | 162.1 | -173.1 | 71.8 | 0 | 0 | 0 | 106.6 | E50 | L48-E50 VanDerWaalsContact C-N 3.26Å; L48-E50 HydrophobicContact CD2-CB 4.43Å; L48-E50 HydrophobicContact CG-CB 4.43Å; L48-E50 PolarHBondContact O-N 3.14Å; L48-E50 VanDerWaalsContact O-N 3.15Å |
| 49 | H | 44.2 | Very low | 48.4 | Very low | 171 Ų | 171 | 171.1 Ų | 171.1 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -89.1 | 71.6 | 179.2 | -171.3 | -66.8 | 0 | 0 | 0 | 109.1 | R47 S51 | R47-H49 PolarHBondContact O-N 2.82Å; H49-S51 PolarHBondContact O-N 2.99Å |
| 50 | E | 39.3 | Very low | 47.6 | Very low | 162 Ų | 162 | 176 Ų | 176 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | | | trans | -78.1 | 102.3 | -179.6 | -158.1 | 150.2 | -118.5 | 0 | 0 | 109.4 | L48 S52 | L48-E50 VanDerWaalsContact C-N 3.26Å; L48-E50 HydrophobicContact CD2-CB 4.43Å; L48-E50 HydrophobicContact CG-CB 4.43Å; L48-E50 PolarHBondContact O-N 3.14Å; L48-E50 VanDerWaalsContact O-N 3.15Å; E50-S52 PolarHBondContact O-N 3.1Å |
| 51 | S | 46 | Very low | 46.5 | Very low | 101 Ų | 101 | 175.9 Ų | 175.9 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | trans | -86.6 | 106 | -176.3 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | H49 | H49-S51 PolarHBondContact O-N 2.99Š|
| 52 | S | 37.4 | Very low | 45.3 | Very low | 104 Ų | 104 | 174.6 Ų | 174.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -124 | 109.4 | 165 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | E50 Y54 | E50-S52 PolarHBondContact O-N 3.1Å; S52-Y54 PolarHBondContact O-N 2.67Å |
| 53 | I | 50.3 | Low | 44.6 | Very low | 161 Ų | 161 | 172.4 Ų | 172.4 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -90.7 | 87.6 | 171.3 | -60.7 | 169.8 | 0 | 0 | 0 | 107.3 | | |
| 54 | Y | 38.3 | Very low | 43.6 | Very low | 208 Ų | 208 | 168.7 Ų | 168.7 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | | | trans | -143.5 | 112.6 | 167.7 | -81.9 | -70.4 | 0 | 0 | 0 | 110.6 | S52 | S52-Y54 PolarHBondContact O-N 2.67Š|
| 55 | P | 47.3 | Very low | 42.7 | Very low | 109 Ų | 109 | 169.7 Ų | 169.7 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | trans | -74.6 | 133.5 | 177.2 | 29.8 | -33.1 | 0 | 0 | 0 | 111.1 | A57 | P55-A57 VanDerWaalsContact C-N 3.34Å; P55-A57 PolarHBondContact O-N 3.47Å |
| 56 | V | 46.4 | Very low | 42.3 | Very low | 156 Ų | 156 | 166.8 Ų | 166.8 | 95% | 0.945 | 81% | 0.811 | S | S | * | * | | | trans | -73 | 85.9 | 178.1 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 57 | A | 49 | Very low | 41.7 | Very low | 86 Ų | 86 | 165.1 Ų | 165.1 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -133.8 | 33.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P55 | P55-A57 VanDerWaalsContact C-N 3.34Å; P55-A57 PolarHBondContact O-N 3.47Å |
| 58 | R | 32.7 | Very low | 41 | Very low | 250 Ų | 250 | 161.3 Ų | 161.3 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | | | trans | -133.9 | 114.6 | 161 | -132.7 | 175.2 | -171.4 | -121.6 | 0.9 | 111.9 | | |
| 59 | R | 33.6 | Very low | 41 | Very low | 231 Ų | 231 | 160.5 Ų | 160.5 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | | | trans | -81.1 | 140.9 | -178.7 | -65.1 | 179.5 | 174.3 | -151.8 | 0 | 111.2 | | |
| 60 | R | 39.4 | Very low | 40.8 | Very low | 229 Ų | 229 | 158.8 Ų | 158.8 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | 46.1 | 152.7 | 136 | -61.6 | -176.3 | 178.1 | -88.9 | 2 | 120.7 | | |
| 61 | R | 32.6 | Very low | 41.1 | Very low | 206 Ų | 206 | 158.8 Ų | 158.8 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | | | trans | 71.5 | 140.4 | -176.7 | -70.4 | -176.4 | -75.8 | -130.1 | 1.5 | 113.1 | | |
| 62 | W | 32.2 | Very low | 40.9 | Very low | 204 Ų | 204 | 161 Ų | 161 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | cis | -133.2 | 152.4 | 9.9 | -57.6 | 81.1 | 0 | 0 | 0 | 111.7 | | |
| 63 | I | 43.4 | Very low | 41.1 | Very low | 170 Ų | 170 | 160.3 Ų | 160.3 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | | | trans | -140.3 | 99.3 | 152.4 | -59 | 178.9 | 0 | 0 | 0 | 105.6 | | |
| 64 | E | 39.2 | Very low | 40.8 | Very low | 172 Ų | 172 | 161.9 Ų | 161.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -171 | 153.1 | 172.7 | -113.5 | 159.6 | 179.3 | 0 | 0 | 108.9 | | |
| 65 | A | 39.2 | Very low | 40.8 | Very low | 93 Ų | 93 | 160.6 Ų | 160.6 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | 55.9 | 97.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 66 | S | 42.2 | Very low | 40.8 | Very low | 134 Ų | 134 | 165.7 Ų | 165.7 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | | | trans | -150.7 | 61.1 | 144.3 | -89.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 67 | E | 41.5 | Very low | 40.6 | Very low | 185 Ų | 185 | 169.6 Ų | 169.6 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | | | trans | -101 | 155.2 | 168.5 | -63.7 | -179.4 | 120.4 | 0 | 0 | 109.5 | | |
| 68 | S | 37.9 | Very low | 40 | Very low | 115 Ų | 115 | 173.5 Ų | 173.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | trans | 64.2 | 115.7 | 170.9 | -165.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 69 | S | 48.8 | Very low | 40.3 | Very low | 123 Ų | 123 | 168 Ų | 168 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | | -141 | 99.4 | 129.7 | 65.3 | 0 | 0 | 0 | 0 | 109 | | |
| 70 | L | 39.3 | Very low | 40.7 | Very low | 135 Ų | 135 | 164.5 Ų | 164.5 | 71% | 0.707 | 81% | 0.813 | S | S | * | * | | | trans | -83.5 | 132.7 | 170.8 | -179.2 | 162.6 | 0 | 0 | 0 | 108.3 | E72 | L70-E72 HydrophobicContact CD2-CG 3.57Š|
| 71 | D | 45.4 | Very low | 40.7 | Very low | 162 Ų | 162 | 158 Ų | 158 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | | | trans | -140.2 | 145.8 | 167.5 | -168.4 | 22.3 | 0 | 0 | 0 | 109 | | |
| 72 | E | 43.5 | Very low | 40.9 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | | | trans | -115.5 | 157.5 | -162.9 | -63.2 | -167.9 | 146.5 | 0 | 0 | 114.3 | L70 | L70-E72 HydrophobicContact CD2-CG 3.57Š|
| 73 | A | 40.5 | Very low | 40.9 | Very low | 88 Ų | 88 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | 33.5 | 98.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 74 | K | 45.6 | Very low | 40.9 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -128.5 | 99.9 | 141.7 | -70.6 | -169.3 | 179.5 | 171.9 | 0 | 110.9 | | |
| 75 | E | 37.3 | Very low | 40.8 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -63.3 | 131.6 | 172.5 | -53.6 | 168 | 137.9 | 0 | 0 | 110.1 | | |
| 76 | Y | 46.7 | Very low | 40.8 | Very low | 215 Ų | 215 | 148.6 Ų | 148.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -148.3 | 112.1 | 159.4 | -92.4 | -69.4 | 0 | 0 | 0 | 112 | | |
| 77 | R | 43.3 | Very low | 40.6 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | trans | 67.2 | 98.8 | 167.2 | -71.1 | -173.4 | 170.2 | 174.2 | -2.2 | 118.5 | | |
| 78 | E | 36.7 | Very low | 40.5 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -32.3 | 164.7 | 134.6 | -61.4 | 172.7 | 108.1 | 0 | 0 | 116 | | |
| 79 | N | 37.6 | Very low | 40.6 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | 70.7 | 129.6 | 171.4 | -53.6 | -37.3 | 0 | 0 | 0 | 113.4 | | |
| 80 | I | 43.5 | Very low | 40.5 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | cis | -130.8 | 128.6 | 28.4 | -58.6 | 157.7 | 0 | 0 | 0 | 110.3 | | |
| 81 | S | 38 | Very low | 40.4 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | | 13.9 | 153.6 | 123.9 | -44 | 0 | 0 | 0 | 0 | 119.2 | | |
| 82 | S | 37 | Very low | 40.3 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | cis | -171 | 168.7 | -9.8 | 42.8 | 0 | 0 | 0 | 0 | 108.7 | F84 | S82-F84 PolarHBondContact O-N 2.91Š|
| 83 | T | 32.6 | Very low | 40.3 | Very low | 131 Ų | 131 | 144 Ų | 144 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -27.2 | 127.5 | 159.6 | 50.1 | 0 | 0 | 0 | 0 | 116 | | |
| 84 | F | 43.6 | Very low | 40.9 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -150.5 | 133.1 | 131.7 | -153.2 | -107.6 | 0 | 0 | 0 | 113.4 | S82 T86 | S82-F84 PolarHBondContact O-N 2.91Å; F84-T86 HydrophobicContact CE1-CG2 4.03Å; F84-T86 WeakPolarHBondContact CE1-OG1 3.34Å |
| 85 | T | 37.4 | Very low | 41.4 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -109.6 | 115.5 | 177.2 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 86 | T | 38.3 | Very low | 41.8 | Very low | 110 Ų | 110 | 141 Ų | 141 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | trans | -165.2 | 126.6 | 155.7 | 35.9 | 0 | 0 | 0 | 0 | 106.8 | F84 | F84-T86 HydrophobicContact CE1-CG2 4.03Å; F84-T86 WeakPolarHBondContact CE1-OG1 3.34Å |
| 87 | A | 38.9 | Very low | 42.2 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | | 64.1 | 137.3 | 59.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 88 | V | 38.1 | Very low | 42 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | cis | -161.8 | -168.8 | -0.9 | 110.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 89 | A | 40.1 | Very low | 42.4 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | | | trans | 76.7 | 146.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 90 | N | 47.3 | Very low | 42.5 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | cis | -150.3 | 172.1 | -4.3 | -113.4 | -6.4 | 0 | 0 | 0 | 113.7 | | |
| 91 | Y | 38 | Very low | 42.2 | Very low | 209 Ų | 209 | 127.8 Ų | 127.8 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | | | trans | -64.3 | 172.6 | -171.3 | -59.4 | -98.3 | 0 | 0 | 0 | 118.6 | | |
| 92 | S | 41.7 | Very low | 42.4 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 80.6 | 137.4 | 152 | -70.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 93 | D | 45.2 | Very low | 42.7 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | cis | 98.9 | 120.3 | 29.6 | -177.2 | 34.7 | 0 | 0 | 0 | 113 | | |
| 94 | S | 52.3 | Low | 43.5 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | -176.1 | 129.4 | 169.9 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 95 | D | 55.7 | Low | 43.1 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | -87.3 | -176.1 | 174.6 | -87.6 | -43.3 | 0 | 0 | 0 | 113.9 | | |
| 96 | D | 46.9 | Very low | 43.4 | Very low | 137 Ų | 137 | 140 Ų | 140 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | -33.2 | 150.1 | 176.3 | -78.8 | -44.1 | 0 | 0 | 0 | 118.2 | | |
| 97 | M | 53.9 | Low | 43.5 | Very low | 183 Ų | 183 | 140 Ų | 140 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | | | | -150.1 | 145.7 | 124.3 | -95.6 | -51 | 102.1 | 0 | 0 | 111.5 | | |
| 98 | A | 39.8 | Very low | 43.3 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -111.8 | 126.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 99 | T | 44.3 | Very low | 43.1 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -152.8 | 138 | 159.5 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 100 | T | 39.2 | Very low | 43.3 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | cis | -156 | 143.9 | -4.9 | 8.4 | 0 | 0 | 0 | 0 | 109 | | |
| 101 | D | 37.4 | Very low | 42.7 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | | | trans | 35.4 | 120.9 | 152.5 | -52.5 | -39.8 | 0 | 0 | 0 | 120.8 | | |
| 102 | H | 43.7 | Very low | 43.1 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 89% | 0.889 | 78% | 0.78 | S | S | * | * | | | | -159.8 | 135.9 | 108.1 | -96.7 | 26.6 | 0 | 0 | 0 | 112 | | |
| 103 | W | 41.3 | Very low | 42.9 | Very low | 217 Ų | 217 | 138.5 Ų | 138.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -72.3 | 171.2 | -165.5 | -65.2 | 73.6 | 0 | 0 | 0 | 115.6 | | |
| 104 | P | 49.5 | Very low | 42.4 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -139 | 176.8 | -29.4 | 34 | -14.6 | 0 | 0 | 0 | 116.3 | | |
| 105 | R | 36.8 | Very low | 42 | Very low | 216 Ų | 216 | 145.2 Ų | 145.2 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | | | trans | -52.7 | 152.8 | 167.2 | -84.4 | 170.9 | 158 | -177.4 | -3.1 | 115.8 | V107 | R105-V107 HydrophobicContact CB-CG2 4.22Å; R105-V107 HydrophobicContact CG-CG2 4.1Å |
| 106 | V | 43.2 | Very low | 41.4 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | trans | -121.4 | 143.3 | 133 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 107 | V | 39.3 | Very low | 40.9 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | | | trans | -126.1 | 141.1 | -175 | 170.6 | 0 | 0 | 0 | 0 | 110 | R105 | R105-V107 HydrophobicContact CB-CG2 4.22Å; R105-V107 HydrophobicContact CG-CG2 4.1Å |
| 108 | G | 35.2 | Very low | 40.5 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | 139.6 | 119.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 109 | G | 34.3 | Very low | 41.1 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | | | trans | -94.8 | -147 | 147.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 110 | P | 45.4 | Very low | 40.6 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | cis | -137.6 | -160.8 | -9.9 | 40.5 | -21.1 | 0 | 0 | 0 | 112.6 | | |
| 111 | V | 34.5 | Very low | 40.9 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | | | trans | 71.2 | 115.2 | 154.5 | 172.8 | 0 | 0 | 0 | 0 | 120 | | |
| 112 | R | 46.5 | Very low | 41.2 | Very low | 234 Ų | 234 | 139.3 Ų | 139.3 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | | | trans | 28 | 122 | 139.8 | -48.3 | 168.9 | 80 | -156.3 | 10.1 | 119.4 | | |
| 113 | S | 36.3 | Very low | 40.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | | | trans | -159.2 | 133.7 | 136.5 | 46.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 114 | R | 34.6 | Very low | 40.7 | Very low | 234 Ų | 234 | 132.9 Ų | 132.9 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | | | trans | 47.9 | 106.9 | 138.2 | -56.9 | 175.5 | -168.4 | -89.3 | 0.5 | 120.7 | | |
| 115 | H | 44.6 | Very low | 40.5 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 78% | 0.778 | 72% | 0.724 | S | S | * | * | | | trans | -65.2 | 143.9 | 149.8 | 163.3 | -88.9 | 0 | 0 | 0 | 112.4 | S117 | H115-S117 PolarHBondContact CE1-N 3.27Š|
| 116 | P | 43.3 | Very low | 40.7 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | -135.2 | 112 | 153.6 | 28.2 | -8.4 | 0 | 0 | 0 | 115 | | |
| 117 | S | 36.8 | Very low | 40.9 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 59% | 0.594 | 71% | 0.711 | S | S | * | * | | | trans | 35.6 | 118 | 139.9 | 56.6 | 0 | 0 | 0 | 0 | 121.8 | H115 | H115-S117 PolarHBondContact CE1-N 3.27Š|
| 118 | W | 43.9 | Very low | 40.9 | Very low | 257 Ų | 257 | 129.5 Ų | 129.5 | 97% | 0.973 | 72% | 0.718 | S | S | * | * | | | trans | -67.4 | 145 | 152.9 | -76.5 | 91.2 | 0 | 0 | 0 | 112.3 | | |
| 119 | P | 54 | Low | 41.8 | Very low | 60 Ų | 60 | 132.1 Ų | 132.1 | 39% | 0.39 | 72% | 0.722 | S | S | . | * | | | trans | -125.1 | 144.1 | 175 | 30.2 | -10.7 | 0 | 0 | 0 | 116.1 | K291 R292 | P119-K291 WeakPolarHBondContact CB-O 3.45Å; P119-R292 VanDerWaalsContact CB-C 3.48Å |
| 120 | E | 33 | Very low | 42.6 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 35% | 0.35 | 72% | 0.719 | S | S | . | * | | | trans | -77.8 | 135.3 | -159.5 | -51.2 | -176.5 | 96.2 | 0 | 0 | 118.6 | R289 R292 | E120-R289 IonicContact OE1-CZ 3.33Å; E120-R289 IonicContact OE1-NH1 2.62Å; E120-R289 PolarHBondContact OE1-NH1 3.01Å; E120-R289 IonicContact OE1-NH2 3.64Å; E120-R289 IonicContact OE2-CZ 3.82Å; E120-R289 IonicContact OE2-NH1 2.89Å; E120-R289 PolarHBondContact OE2-NH1 2.81Å; E120-R292 WeakPolarHBondContact O-CG 3.49Å |
| 121 | S | 45.7 | Very low | 42.8 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | | | trans | 57.4 | 129 | 130.4 | -46.1 | 0 | 0 | 0 | 0 | 124.8 | R292 | S121-R292 PolarHBondContact O-NE 3.35Å; S121-R292 PolarHBondContact O-NH2 3.46Å |
| 122 | D | 43.5 | Very low | 43.4 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | | 121.6 | 152.3 | 114.7 | -145.7 | 6.8 | 0 | 0 | 0 | 119 | | |
| 123 | S | 35.7 | Very low | 43.5 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | | | trans | 72.8 | 143.2 | -179.2 | -74.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 124 | F | 39.3 | Very low | 44.4 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 76% | 0.763 | 73% | 0.726 | S | S | * | * | | | cis | -166.8 | 150.7 | -22.2 | -163 | -116.9 | 0 | 0 | 0 | 107.9 | | |
| 125 | T | 45.8 | Very low | 45.3 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | | | trans | 58.5 | 147.4 | -174.5 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 126 | D | 39.8 | Very low | 46 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | | | cis | -141.1 | 179.8 | 29.8 | -150.6 | -42.9 | 0 | 0 | 0 | 112.3 | | |
| 127 | S | 46.8 | Very low | 47.1 | Very low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | trans | -35.5 | 129.9 | 172 | 48.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 128 | N | 40.4 | Very low | 48.5 | Very low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | | | trans | -132.4 | 104.3 | 163.8 | -165.3 | -19.3 | 0 | 0 | 0 | 109.8 | G130 | N128-G130 PolarHBondContact O-N 2.92Š|
| 129 | P | 54.5 | Low | 49.4 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | | | trans | -88.7 | 87.8 | -171.1 | 34.1 | -33.7 | 0 | 0 | 0 | 111.9 | | |
| 130 | G | 51.3 | Low | 50 | Low | 68 Ų | 68 | 150.9 Ų | 150.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | -169.1 | 11.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | N128 | N128-G130 PolarHBondContact O-N 2.92Š|
| 131 | Q | 49.5 | Very low | 51.3 | Low | 172 Ų | 172 | 158.1 Ų | 158.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -137 | 118.9 | -179.5 | -149.3 | 172.1 | 25 | 0 | 0 | 113.8 | L133 | Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.44Å |
| 132 | P | 45.8 | Very low | 51.8 | Low | 131 Ų | 131 | 162.1 Ų | 162.1 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | -78.7 | 78.1 | -179.6 | 32.3 | -35 | 0 | 0 | 0 | 111.1 | R134 | P132-R134 PolarHBondContact O-N 2.99Š|
| 133 | L | 48.4 | Very low | 52.2 | Low | 146 Ų | 146 | 161 Ų | 161 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -60.9 | 131.9 | 176.4 | -157.9 | 73.5 | 0 | 0 | 0 | 110.3 | Q131 R135 | Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.44Å; L133-R135 PolarHBondContact O-N 3.45Å |
| 134 | R | 55.7 | Low | 53 | Low | 235 Ų | 235 | 160.8 Ų | 160.8 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | trans | -42 | 132.2 | -173.9 | -81.7 | 174.3 | 142.1 | -174.8 | -8 | 112.5 | P132 R136 | P132-R134 PolarHBondContact O-N 2.99Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 3.02Å |
| 135 | R | 54 | Low | 53.7 | Low | 246 Ų | 246 | 159.2 Ų | 159.2 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | | | trans | -52.1 | 76.2 | -173.6 | -173.4 | -175.4 | 174.2 | -172.1 | -0.5 | 114.2 | L133 R137 | L133-R135 PolarHBondContact O-N 3.45Å; R135-R137 PolarHBondContact O-N 3.45Å |
| 136 | R | 58.9 | Low | 54.2 | Low | 216 Ų | 216 | 160.5 Ų | 160.5 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | -59.8 | 122.4 | 169.5 | -63.2 | 179.6 | 79.4 | -171.4 | 5.2 | 108.1 | R134 K138 | R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 3.02Å; R136-K138 PolarHBondContact O-N 3.2Å; R136-K138 VanDerWaalsContact O-N 3.14Å |
| 137 | R | 66.4 | Low | 54.7 | Low | 225 Ų | 225 | 160.4 Ų | 160.4 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | | | trans | -55.6 | 118.6 | 177.1 | -77.3 | 174.9 | 165.1 | 157.2 | -7 | 109.2 | R135 V139 | R135-R137 PolarHBondContact O-N 3.45Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.16Å |
| 138 | K | 65.1 | Low | 54.9 | Low | 210 Ų | 210 | 162.4 Ų | 162.4 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | | | trans | -69.6 | 91.9 | 168.4 | -77.7 | -167.7 | 177 | -175.3 | 0 | 108.5 | R136 K140 | R136-K138 PolarHBondContact O-N 3.2Å; R136-K138 VanDerWaalsContact O-N 3.14Å; K138-K140 PolarHBondContact O-N 3.39Å; K138-K140 VanDerWaalsContact O-N 3.14Å |
| 139 | V | 63 | Low | 55.4 | Low | 122 Ų | 122 | 167 Ų | 167 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | | | trans | -66.8 | 109.2 | 170.8 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | R137 R141 | R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.16Å; V139-R141 PolarHBondContact O-N 2.95Å |
| 140 | K | 66.8 | Low | 55.2 | Low | 193 Ų | 193 | 168.5 Ų | 168.5 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | -70.2 | 94.8 | 175.5 | -176.5 | -179.9 | 178.6 | -177.6 | 0 | 108.7 | K138 M142 | K138-K140 PolarHBondContact O-N 3.39Å; K138-K140 VanDerWaalsContact O-N 3.14Å; K140-M142 PolarHBondContact O-N 3.14Å |
| 141 | R | 61.5 | Low | 55 | Low | 226 Ų | 226 | 174.4 Ų | 174.4 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -65.1 | 119.2 | 169 | -66.9 | -174.6 | 176.9 | -166.8 | -2.4 | 108.4 | V139 T143 | V139-R141 PolarHBondContact O-N 2.95Å; R141-T143 PolarHBondContact O-N 2.98Å |
| 142 | M | 54.5 | Low | 55 | Low | 163 Ų | 163 | 175.1 Ų | 175.1 | 80% | 0.803 | 83% | 0.826 | S | S | * | * | | | trans | -80.7 | 109.3 | 163 | -80.4 | 174.7 | 56.1 | 0 | 0 | 108.3 | K140 S144 | K140-M142 PolarHBondContact O-N 3.14Å; M142-S144 PolarHBondContact O-N 2.86Å |
| 143 | T | 53 | Low | 55.2 | Low | 109 Ų | 109 | 178 Ų | 178 | 67% | 0.669 | 83% | 0.825 | S | S | * | * | | | trans | -83.9 | 87.6 | 164 | 45.5 | 0 | 0 | 0 | 0 | 108.3 | R141 D145 | R141-T143 PolarHBondContact O-N 2.98Å; T143-D145 PolarHBondContact O-N 3.29Å |
| 144 | S | 52.4 | Low | 54.7 | Low | 97 Ų | 97 | 179.3 Ų | 179.3 | 68% | 0.678 | 83% | 0.832 | S | S | * | * | | | trans | -78.1 | 72.3 | 170.6 | 56.2 | 0 | 0 | 0 | 0 | 109.7 | M142 M146 | M142-S144 PolarHBondContact O-N 2.86Å; S144-M146 PolarHBondContact O-N 3.31Å |
| 145 | D | 54.9 | Low | 53.8 | Low | 140 Ų | 140 | 175 Ų | 175 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | | | trans | -73.3 | 70.5 | 179.2 | -71.2 | -40.8 | 0 | 0 | 0 | 111.3 | T143 | T143-D145 PolarHBondContact O-N 3.29Š|
| 146 | M | 54.5 | Low | 52.9 | Low | 152 Ų | 152 | 171.4 Ų | 171.4 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | | | trans | -118.4 | 148 | 173.2 | -64.3 | -66.2 | 170.2 | 0 | 0 | 109.6 | S144 V148 | S144-M146 PolarHBondContact O-N 3.31Å; M146-V148 PolarHBondContact O-N 3.48Å |
| 147 | T | 51.7 | Low | 51.8 | Low | 140 Ų | 140 | 164.4 Ų | 164.4 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 66.8 | 13.2 | 172.7 | 72.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 148 | V | 49.6 | Very low | 50.5 | Low | 141 Ų | 141 | 163.3 Ų | 163.3 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -93 | 7.5 | 164.8 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | M146 | M146-V148 PolarHBondContact O-N 3.48Š|
| 149 | R | 52.1 | Low | 49.2 | Very low | 246 Ų | 246 | 163 Ų | 163 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -117.5 | 31.5 | 179.8 | -82.1 | -170.9 | 168.4 | -164 | -2.2 | 115.2 | | |
| 150 | L | 50.5 | Low | 48.6 | Very low | 160 Ų | 160 | 168.7 Ų | 168.7 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -151.5 | 32.6 | 166.8 | -153.1 | 62.8 | 0 | 0 | 0 | 115.9 | | |
| 151 | Q | 45.7 | Very low | 47.1 | Very low | 192 Ų | 192 | 168.3 Ų | 168.3 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | | | trans | -132.7 | 49.4 | 167 | -70.8 | -158.4 | 8.9 | 0 | 0 | 113.3 | | |
| 152 | Q | 49.7 | Very low | 46.2 | Very low | 188 Ų | 188 | 168.4 Ų | 168.4 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -86.4 | 136.2 | 141.7 | -82.5 | -175 | -31.4 | 0 | 0 | 108.3 | | |
| 153 | K | 49.8 | Very low | 46 | Very low | 191 Ų | 191 | 166.6 Ų | 166.6 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | | | trans | 64.2 | 86.6 | 168.7 | -162.5 | -174.2 | -170.4 | -179.5 | 0 | 116.4 | | |
| 154 | L | 39.4 | Very low | 45.1 | Very low | 174 Ų | 174 | 166.8 Ų | 166.8 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | | | | -147 | 137.7 | 120.3 | -99.7 | -176 | 0 | 0 | 0 | 110.2 | | |
| 155 | H | 35.8 | Very low | 44.6 | Very low | 143 Ų | 143 | 171 Ų | 171 | 66% | 0.662 | 83% | 0.832 | S | S | * | * | | | trans | -98.7 | 141.2 | -175.5 | -85.3 | -117.1 | 0 | 0 | 0 | 112.3 | | |
| 156 | H | 35.8 | Very low | 43.8 | Very low | 171 Ų | 171 | 170.3 Ų | 170.3 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | | | trans | 47.8 | 119.9 | 140.6 | -48.3 | -18.4 | 0 | 0 | 0 | 120.3 | | |
| 157 | G | 34.8 | Very low | 43 | Very low | 69 Ų | 69 | 170.6 Ų | 170.6 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | | | | 105.7 | 115.1 | 113.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 158 | K | 40.8 | Very low | 42.3 | Very low | 202 Ų | 202 | 173.5 Ų | 173.5 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | | | trans | 50.6 | 106.5 | 138.5 | -54.8 | 177.5 | -177.4 | 177.8 | 0 | 119 | | |
| 159 | K | 36.4 | Very low | 41.9 | Very low | 204 Ų | 204 | 173.7 Ų | 173.7 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | | 178.1 | 155.1 | 103.1 | -96.8 | 174 | 179.6 | -177.9 | 0 | 111.7 | | |
| 160 | R | 51.4 | Low | 41.3 | Very low | 242 Ų | 242 | 167 Ų | 167 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | | | trans | -88.2 | 142.1 | 164.9 | -69.3 | -179.6 | 174.1 | -175.2 | -2 | 109.2 | | |
| 161 | H | 35.4 | Very low | 40.4 | Very low | 185 Ų | 185 | 163.1 Ų | 163.1 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | | | trans | -154.3 | 135.8 | 155.8 | -112.4 | -83.7 | 0 | 0 | 0 | 112.4 | | |
| 162 | R | 42.3 | Very low | 40 | Very low | 227 Ų | 227 | 160.4 Ų | 160.4 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | trans | -80.1 | 164.4 | 152.1 | -98.5 | 176.6 | 173.3 | 170.7 | -3.7 | 107.9 | | |
| 163 | P | 50.7 | Low | 39.6 | Very low | 126 Ų | 126 | 160.8 Ų | 160.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | cis | -106.4 | -138.7 | 28.8 | 26.9 | -5 | 0 | 0 | 0 | 111.4 | | |
| 164 | S | 32.6 | Very low | 39.2 | Very low | 113 Ų | 113 | 161.7 Ų | 161.7 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | cis | -153.2 | -145.7 | 7.7 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 165 | K | 41.8 | Very low | 39.3 | Very low | 185 Ų | 185 | 163.6 Ų | 163.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -155.6 | 166.2 | -173.5 | -170.4 | 177.5 | -178.9 | 179.3 | 0 | 107.7 | | |
| 166 | V | 38.5 | Very low | 39.5 | Very low | 126 Ų | 126 | 161.7 Ų | 161.7 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | 63 | 153.5 | 178.5 | -104.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 167 | Q | 37.9 | Very low | 39.6 | Very low | 158 Ų | 158 | 158.6 Ų | 158.6 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | cis | -148.3 | 148 | 8.7 | -157.4 | 165.1 | 35 | 0 | 0 | 112.7 | | |
| 168 | R | 36.5 | Very low | 39.5 | Very low | 201 Ų | 201 | 160.1 Ų | 160.1 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | | | trans | 14.9 | 130.4 | 153.5 | -51.8 | 163.2 | 83.7 | -133.7 | 8.3 | 117.1 | | |
| 169 | L | 42.8 | Very low | 39.3 | Very low | 144 Ų | 144 | 162.1 Ų | 162.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | | -177.7 | -172.9 | 79 | -80.8 | 170.2 | 0 | 0 | 0 | 108.3 | | |
| 170 | S | 38.3 | Very low | 39.7 | Very low | 105 Ų | 105 | 159 Ų | 159 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | | -169.5 | 150.9 | -67.4 | 57.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 171 | G | 32.3 | Very low | 38.8 | Very low | 79 Ų | 79 | 150.8 Ų | 150.8 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | cis | 172.4 | 169.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 172 | S | 38.1 | Very low | 39.7 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | | | trans | -133.2 | 145.7 | 173.2 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 173 | R | 39.6 | Very low | 39.1 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -127.3 | 111.8 | -157.7 | 171 | -171.7 | 165 | -172.9 | -2.8 | 112 | | |
| 174 | R | 42.4 | Very low | 38.4 | Very low | 209 Ų | 209 | 147.5 Ų | 147.5 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | | | trans | -175.8 | 121.1 | 130.8 | -95.3 | 146.1 | -152.9 | -104.3 | 7.6 | 112.1 | | |
| 175 | R | 40.8 | Very low | 38.6 | Very low | 214 Ų | 214 | 150.1 Ų | 150.1 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | trans | 19.3 | 139.8 | 137.3 | -54.4 | 174.1 | -177.1 | 165.9 | -3.6 | 119 | | |
| 176 | S | 41.4 | Very low | 38.3 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | cis | -170.6 | 145.6 | -9.4 | 38.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 177 | S | 37.2 | Very low | 38.1 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -15.2 | 152.3 | 147.2 | 46.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 178 | S | 32.7 | Very low | 37.9 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | cis | -168.2 | 153.6 | 1.8 | 39.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 179 | W | 36.8 | Very low | 38 | Very low | 243 Ų | 243 | 137.9 Ų | 137.9 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | | | trans | 10.7 | 144 | 143.6 | -64 | 92.9 | 0 | 0 | 0 | 122.6 | | |
| 180 | T | 44.2 | Very low | 37.8 | Very low | 138 Ų | 138 | 142 Ų | 142 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -67.7 | 151.9 | 170.5 | 40.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 181 | G | 32.8 | Very low | 38 | Very low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | trans | -164.6 | 138.9 | 165 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 182 | P | 54.8 | Low | 38.3 | Very low | 130 Ų | 130 | 147 Ų | 147 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | | | trans | -95.7 | 163.1 | -177.9 | 37.6 | -35.2 | 0 | 0 | 0 | 113.3 | | |
| 183 | E | 29.2 | Very low | 38.4 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | | 159.6 | 133.1 | 125.9 | -172.1 | 158.1 | -163 | 0 | 0 | 114.4 | | |
| 184 | R | 35.8 | Very low | 38.6 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 73% | 0.725 | 76% | 0.76 | S | S | * | * | | | trans | 55.9 | 132.1 | 162.1 | -73.4 | 171 | -143.1 | -100.4 | -6.8 | 123.4 | | |
| 185 | Q | 37.8 | Very low | 38.6 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | | 30.5 | 135.5 | 128.3 | -51.1 | 176 | 2.2 | 0 | 0 | 118.7 | | |
| 186 | T | 34 | Very low | 38.7 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | cis | -148 | 179.7 | 40.1 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 187 | D | 35.1 | Very low | 38.6 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | 64.8 | 156.9 | 169.1 | -58.8 | -56.4 | 0 | 0 | 0 | 117.3 | | |
| 188 | G | 34 | Very low | 38.8 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | | | cis | 168.9 | 122.4 | -8.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 189 | G | 38.1 | Very low | 39.3 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | 98.2 | 144.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 190 | R | 39.4 | Very low | 39.7 | Very low | 229 Ų | 229 | 145.4 Ų | 145.4 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | cis | 67.8 | 129.4 | 45.3 | -67.2 | -169.2 | -167.2 | -101.7 | 7.7 | 112.4 | | |
| 191 | M | 42.8 | Very low | 39.8 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | cis | -173.6 | 176.1 | -4.6 | -161.2 | 157.9 | 62.3 | 0 | 0 | 110.2 | | |
| 192 | M | 38.4 | Very low | 40.1 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | | | trans | 84.5 | 154.6 | 160.5 | -52.8 | -59.9 | -80.5 | 0 | 0 | 120.5 | | |
| 193 | G | 40.3 | Very low | 39.4 | Very low | 65 Ų | 65 | 151.9 Ų | 151.9 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | | | trans | 92.4 | 102.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 194 | K | 43.8 | Very low | 39.8 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | cis | 64.4 | 128.9 | 15.4 | -56.8 | 177.3 | 156 | -87.2 | 0 | 113.8 | | |
| 195 | E | 41.3 | Very low | 40.3 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | cis | -159.6 | -164.6 | -0.9 | -123.3 | 156 | -123.6 | 0 | 0 | 111.6 | | |
| 196 | C | 42.9 | Very low | 40.6 | Very low | 96 Ų | 96 | 157.8 Ų | 157.8 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | trans | -57.4 | 172.6 | -174.9 | -139.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 197 | W | 40.1 | Very low | 40.8 | Very low | 197 Ų | 197 | 158.6 Ų | 158.6 | 75% | 0.746 | 78% | 0.779 | S | S | * | * | | | | -174.7 | 148.6 | 72 | -83.1 | 100.4 | 0 | 0 | 0 | 116.9 | | |
| 198 | K | 40.9 | Very low | 40.9 | Very low | 168 Ų | 168 | 154.5 Ų | 154.5 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | | | trans | 47.6 | 98.5 | 145 | -85 | 164.2 | -179.8 | 165.2 | 0 | 123.9 | | |
| 199 | R | 42.9 | Very low | 42 | Very low | 230 Ų | 230 | 157 Ų | 157 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | | 10.3 | 132.6 | 110.6 | -173.3 | -162.2 | -62.6 | 176.7 | -0.6 | 119.5 | | |
| 200 | K | 46.1 | Very low | 42.6 | Very low | 210 Ų | 210 | 160.5 Ų | 160.5 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | | | trans | -150.6 | 165.4 | 143.4 | -114.9 | -178.7 | -179.1 | -176.9 | 0 | 111.5 | | |
| 201 | M | 46.2 | Very low | 43.4 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -146.9 | 133.6 | -171.5 | -79.9 | -80.9 | -161.6 | 0 | 0 | 112.6 | | |
| 202 | A | 38 | Very low | 43.8 | Very low | 94 Ų | 94 | 158 Ų | 158 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -178.1 | 127.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 203 | K | 40 | Very low | 44.4 | Very low | 198 Ų | 198 | 159.5 Ų | 159.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | | 61.8 | 115.3 | 71.3 | -159.6 | 175 | -172.2 | -169.9 | 0 | 110.7 | | |
| 204 | E | 39 | Very low | 45.1 | Very low | 180 Ų | 180 | 161.4 Ų | 161.4 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | | | | -148.4 | -174.1 | 69.9 | -169.3 | 146.5 | -138.7 | 0 | 0 | 115.2 | | |
| 205 | R | 45.5 | Very low | 45.5 | Very low | 231 Ų | 231 | 161 Ų | 161 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -111.4 | 161.6 | -179 | -68.8 | 178.2 | 171.2 | -92.3 | 4.3 | 111.7 | | |
| 206 | R | 43.5 | Very low | 45.9 | Very low | 219 Ų | 219 | 157.3 Ų | 157.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | 153.4 | 158 | 150.1 | -85.6 | -165.7 | -172.6 | -87.1 | 4.5 | 107.6 | | |
| 207 | D | 39.3 | Very low | 46.3 | Very low | 129 Ų | 129 | 161.5 Ų | 161.5 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | | | cis | -159.7 | 153.2 | -27.7 | -93.4 | -20.7 | 0 | 0 | 0 | 106 | | |
| 208 | G | 36.3 | Very low | 46.5 | Very low | 73 Ų | 73 | 158.2 Ų | 158.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | 133.9 | 120.3 | 169 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 209 | P | 57.4 | Low | 47 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | | | trans | -88.1 | 151 | 164.3 | 35.5 | -31.3 | 0 | 0 | 0 | 111.4 | | |
| 210 | D | 50.2 | Low | 47.5 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | | | trans | -116 | 107.8 | 164.2 | -175.2 | 8.6 | 0 | 0 | 0 | 108.2 | | |
| 211 | E | 55.9 | Low | 47.6 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -89.6 | 102.7 | 172.8 | -72.2 | -171.9 | -174.6 | 0 | 0 | 109.2 | | |
| 212 | N | 52.5 | Low | 47.5 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | trans | -122.5 | 56.2 | 170.8 | -151.9 | -22.2 | 0 | 0 | 0 | 111.6 | | |
| 213 | M | 50.1 | Low | 47.9 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | -73.1 | 127.9 | 148.8 | -67.1 | -73.4 | -161.1 | 0 | 0 | 107.2 | | |
| 214 | S | 55.2 | Low | 48.5 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | -150 | 117.2 | 167.9 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 215 | D | 52.9 | Low | 49.3 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -76.1 | 144.2 | -170.2 | -60.7 | -74.2 | 0 | 0 | 0 | 113.1 | | |
| 216 | G | 48.4 | Very low | 49.8 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | -115.3 | 24.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T218 | G216-T218 PolarHBondContact O-N 3.07Š|
| 217 | E | 51.6 | Low | 50.5 | Low | 184 Ų | 184 | 125.2 Ų | 125.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -69.5 | 95.1 | -175.9 | -67.3 | -159.7 | 122.8 | 0 | 0 | 113.1 | | |
| 218 | T | 44.6 | Very low | 51.4 | Low | 127 Ų | 127 | 126.1 Ų | 126.1 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -134.9 | 83.3 | 163.1 | 36.9 | 0 | 0 | 0 | 0 | 113.2 | G216 | G216-T218 PolarHBondContact O-N 3.07Š|
| 219 | S | 50.3 | Low | 52.1 | Low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 38.9 | 108.4 | 135.5 | 62.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 220 | S | 54.8 | Low | 52 | Low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -142.2 | 85.6 | 141.6 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | C222 | S220-C222 PolarHBondContact O-N 3.07Š|
| 221 | T | 47.3 | Very low | 52.4 | Low | 147 Ų | 147 | 131.3 Ų | 131.3 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -71.5 | 106.8 | 173.8 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 222 | C | 43.9 | Very low | 52.7 | Low | 123 Ų | 123 | 128.9 Ų | 128.9 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -111.1 | 133 | 164.1 | -163.1 | 0 | 0 | 0 | 0 | 110.1 | S220 | S220-C222 PolarHBondContact O-N 3.07Š|
| 223 | S | 46.4 | Very low | 53.4 | Low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -71.2 | 141 | -168.5 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 224 | S | 53.4 | Low | 54.1 | Low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | 41.7 | 109.2 | 133.1 | -49.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 225 | D | 54.8 | Low | 54.4 | Low | 130 Ų | 130 | 129.6 Ų | 129.6 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | -157.7 | 104.8 | 120.6 | -172.2 | 16.1 | 0 | 0 | 0 | 112.5 | G227 | D225-G227 PolarHBondContact O-N 2.86Å; D225-G227 WeakPolarHBondContact OD1-CA 3.28Å; D225-G227 PolarHBondContact OD1-N 3.16Å |
| 226 | P | 57.2 | Low | 54.8 | Low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -80.2 | 39 | 170.3 | 35.8 | -35 | 0 | 0 | 0 | 112.5 | | |
| 227 | G | 59.1 | Low | 55.3 | Low | 49 Ų | 49 | 132 Ų | 132 | 51% | 0.505 | 77% | 0.773 | S | S | . | * | | | trans | -101.8 | -11.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | D225 F229 | D225-G227 PolarHBondContact O-N 2.86Å; D225-G227 WeakPolarHBondContact OD1-CA 3.28Å; D225-G227 PolarHBondContact OD1-N 3.16Å; G227-F229 PolarHBondContact O-N 3.13Å; G227-F229 VanDerWaalsContact O-N 3.14Å |
| 228 | L | 56.6 | Low | 55.9 | Low | 148 Ų | 148 | 131.2 Ų | 131.2 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -91.1 | 42.4 | -165.2 | -103.1 | 162.9 | 0 | 0 | 0 | 116 | T230 | L228-T230 HydrophobicContact CD2-CG2 4.11Å; L228-T230 PolarHBondContact O-N 3.36Å |
| 229 | F | 51.4 | Low | 56.7 | Low | 182 Ų | 182 | 131.8 Ų | 131.8 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | -71.4 | 90.3 | 162.8 | -93 | -82.1 | 0 | 0 | 0 | 110.5 | G227 N231 | G227-F229 PolarHBondContact O-N 3.13Å; G227-F229 VanDerWaalsContact O-N 3.14Å; F229-N231 PolarHBondContact O-N 3.44Å; F229-N231 PolarHBondContact O-ND2 2.67Å |
| 230 | T | 56.2 | Low | 57.3 | Low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | | | trans | -65 | 89.9 | 172 | 45.1 | 0 | 0 | 0 | 0 | 110.7 | L228 D232 | L228-T230 HydrophobicContact CD2-CG2 4.11Å; L228-T230 PolarHBondContact O-N 3.36Å; T230-D232 PolarHBondContact O-N 2.93Å |
| 231 | N | 58.3 | Low | 57.6 | Low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -73.2 | 68.6 | 179.9 | -83.4 | -103.8 | 0 | 0 | 0 | 111.8 | F229 | F229-N231 PolarHBondContact O-N 3.44Å; F229-N231 PolarHBondContact O-ND2 2.67Å |
| 232 | D | 62.1 | Low | 58.3 | Low | 131 Ų | 131 | 133.7 Ų | 133.7 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | -95.7 | 9.5 | 174.6 | -155.1 | 27.1 | 0 | 0 | 0 | 113.3 | T230 G234 | T230-D232 PolarHBondContact O-N 2.93Å; D232-G234 PolarHBondContact O-N 3.28Å |
| 233 | E | 66.9 | Low | 59.3 | Low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -82.5 | 46.5 | 173.1 | -151 | -171.6 | -165.5 | 0 | 0 | 112 | R36 | R36-E233 IonicContact CZ-OE1 3.95Å; R36-E233 IonicContact CZ-OE2 3.38Å; R36-E233 IonicContact NH1-OE1 3.27Å; R36-E233 PolarHBondContact NH1-OE1 3.04Å; R36-E233 IonicContact NH2-OE1 3.05Å; R36-E233 PolarHBondContact NH2-OE1 3.33Å; R36-E233 IonicContact NH2-OE2 2.65Å; R36-E233 PolarHBondContact NH2-OE2 2.97Å |
| 234 | G | 64.1 | Low | 59.9 | Low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | | | trans | -136 | 14.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | D232 | D232-G234 PolarHBondContact O-N 3.28Š|
| 235 | R | 61.8 | Low | 59.4 | Low | 209 Ų | 209 | 145.3 Ų | 145.3 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | | | trans | -134.8 | 43 | -172.2 | -71.9 | -170.9 | 161.6 | -77.5 | -14 | 115.5 | | |
| 236 | Q | 62.1 | Low | 58.6 | Low | 201 Ų | 201 | 147.8 Ų | 147.8 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | | | trans | -131.7 | 115.8 | 158.4 | -72.8 | -172.6 | -12.6 | 0 | 0 | 109.5 | | |
| 237 | G | 58.5 | Low | 58.4 | Low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 158.7 | 112.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 238 | D | 65.1 | Low | 57.8 | Low | 168 Ų | 168 | 149.1 Ų | 149.1 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | | | trans | 70.9 | 154.5 | 178.6 | -146.8 | 0.2 | 0 | 0 | 0 | 115.3 | | |
| 239 | D | 60.8 | Low | 57.3 | Low | 138 Ų | 138 | 149.8 Ų | 149.8 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | 69.1 | 110.3 | -162.4 | -171.2 | -39.4 | 0 | 0 | 0 | 112.2 | | |
| 240 | E | 62.6 | Low | 57.2 | Low | 150 Ų | 150 | 147 Ų | 147 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | cis | -142.7 | 138 | -0.9 | -103.1 | 176.2 | -168.7 | 0 | 0 | 110.7 | S242 | E240-S242 PolarHBondContact OE2-OG 3.2Š|
| 241 | Q | 61.8 | Low | 56.5 | Low | 204 Ų | 204 | 144.3 Ų | 144.3 | 95% | 0.953 | 76% | 0.763 | S | S | * | * | | | trans | -94.1 | 99.3 | 157.5 | -78.3 | -135.9 | -72.7 | 0 | 0 | 108.4 | | |
| 242 | S | 62 | Low | 55.7 | Low | 67 Ų | 67 | 144.3 Ų | 144.3 | 47% | 0.469 | 77% | 0.768 | S | S | . | * | | | trans | -141 | 97.3 | -177.5 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | E240 W244 | E240-S242 PolarHBondContact OE2-OG 3.2Å; S242-W244 PolarHBondContact O-N 2.98Å |
| 243 | D | 63.5 | Low | 54.6 | Low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | 43.1 | 73.9 | 140 | -52.5 | -15.7 | 0 | 0 | 0 | 118.9 | | |
| 244 | W | 60.1 | Low | 53.4 | Low | 259 Ų | 259 | 141.8 Ų | 141.8 | 98% | 0.981 | 78% | 0.775 | S | S | * | * | | | trans | -97.9 | 85.5 | 152.4 | -85.9 | 44.9 | 0 | 0 | 0 | 109.6 | S242 F246 | S242-W244 PolarHBondContact O-N 2.98Å; W244-F246 PolarHBondContact O-N 3.38Å |
| 245 | F | 42.9 | Very low | 52.3 | Low | 169 Ų | 169 | 146.1 Ų | 146.1 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -62.7 | 114.1 | 174.6 | -139.9 | -98.4 | 0 | 0 | 0 | 109.5 | E247 | F245-E247 HydrophobicContact CD1-CB 4.09Å; F245-E247 HydrophobicContact CE1-CB 4.17Å; F245-E247 VanDerWaalsContact CE1-OE2 3.32Å; F245-E247 WeakPolarHBondContact CE1-OE2 3.42Å |
| 246 | F | 37.7 | Very low | 51.6 | Low | 183 Ų | 183 | 141.5 Ų | 141.5 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | | | trans | -112.7 | 81.5 | 165.3 | -171 | -102.5 | 0 | 0 | 0 | 109.4 | W244 G248 | W244-F246 PolarHBondContact O-N 3.38Å; F246-G248 PolarHBondContact O-N 3.1Å; F246-G248 VanDerWaalsContact O-N 3.16Å |
| 247 | E | 52.5 | Low | 50.3 | Low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | | | trans | -72.4 | 98 | 164 | -156.9 | 94 | 138.8 | 0 | 0 | 107 | F245 | F245-E247 HydrophobicContact CD1-CB 4.09Å; F245-E247 HydrophobicContact CE1-CB 4.17Å; F245-E247 VanDerWaalsContact CE1-OE2 3.32Å; F245-E247 WeakPolarHBondContact CE1-OE2 3.42Å |
| 248 | G | 46.7 | Very low | 49.5 | Very low | 40 Ų | 40 | 146.2 Ų | 146.2 | 41% | 0.412 | 78% | 0.777 | S | S | . | * | | | trans | -163.8 | 94.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F246 | F246-G248 PolarHBondContact O-N 3.1Å; F246-G248 VanDerWaalsContact O-N 3.16Å |
| 249 | D | 46 | Very low | 47.9 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | -68.1 | 165.7 | -169.7 | -150.2 | -18 | 0 | 0 | 0 | 113.8 | | |
| 250 | C | 49.3 | Very low | 46.7 | Very low | 123 Ų | 123 | 143 Ų | 143 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | trans | 64.9 | 142.1 | -176.7 | 89.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 251 | G | 40.8 | Very low | 45.3 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | | | cis | 152.9 | 119.3 | -8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 252 | V | 42.7 | Very low | 44.2 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 90% | 0.903 | 77% | 0.765 | S | S | * | * | | | trans | 46.1 | 92.5 | 170.4 | -162 | 0 | 0 | 0 | 0 | 114.4 | | |
| 253 | G | 39.2 | Very low | 43.3 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | 82.5 | 81.9 | 42.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 254 | L | 41.3 | Very low | 41.7 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | trans | -165 | 145.1 | 157.6 | -105 | 169.9 | 0 | 0 | 0 | 110.8 | | |
| 255 | L | 40.7 | Very low | 40.3 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -109.3 | -171.7 | 169.9 | -70.5 | 108.1 | 0 | 0 | 0 | 108.8 | | |
| 256 | P | 47.9 | Very low | 40.2 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | -129.7 | 158.7 | -65.9 | 36.8 | -23.3 | 0 | 0 | 0 | 111.7 | | |
| 257 | N | 34.9 | Very low | 40.1 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -159.3 | 167.9 | 148 | -143.7 | 3 | 0 | 0 | 0 | 115.2 | | |
| 258 | W | 40.4 | Very low | 39.4 | Very low | 222 Ų | 222 | 130 Ų | 130 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | | | trans | -76.9 | 133.4 | 162.7 | -56.2 | 59.6 | 0 | 0 | 0 | 109.3 | | |
| 259 | D | 31.9 | Very low | 38.7 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | | -179.9 | 164.9 | 104.2 | -112.1 | -18.5 | 0 | 0 | 0 | 112.6 | | |
| 260 | S | 34.9 | Very low | 38.4 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | | | trans | 31.8 | 138.8 | 149.9 | -55.3 | 0 | 0 | 0 | 0 | 124.2 | | |
| 261 | D | 33.3 | Very low | 37.8 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | 57.2 | 97.1 | 139.5 | -55.3 | -21.6 | 0 | 0 | 0 | 120.6 | | |
| 262 | S | 39.9 | Very low | 37.7 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -83.1 | 131 | 145.3 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 263 | P | 42.3 | Very low | 37.4 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | | | | -156.6 | 169.7 | 92.2 | 42.3 | -23.6 | 0 | 0 | 0 | 118.6 | | |
| 264 | L | 30.6 | Very low | 37.2 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | 82.9 | 137.5 | 157 | -50.7 | -173.3 | 0 | 0 | 0 | 121.5 | | |
| 265 | S | 30.8 | Very low | 36.9 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | 69.7 | 160.2 | 160.1 | 79.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 266 | L | 40.3 | Very low | 37.3 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | cis | -138 | -175.5 | 1.1 | -165.1 | 54.6 | 0 | 0 | 0 | 110.8 | | |
| 267 | E | 36.3 | Very low | 36.9 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | | | trans | -69.2 | 178.4 | -174.5 | -56.1 | -171.2 | 109.9 | 0 | 0 | 117.2 | | |
| 268 | D | 36.2 | Very low | 37.5 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 60% | 0.599 | 77% | 0.766 | S | S | * | * | | | trans | 86.9 | 129.9 | 148.4 | -124.5 | 51.3 | 0 | 0 | 0 | 118 | | |
| 269 | R | 33.2 | Very low | 37.4 | Very low | 209 Ų | 209 | 137.8 Ų | 137.8 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | | | cis | 155.8 | 177.9 | -17.2 | 176.1 | 174.4 | -171.3 | -122.1 | 9 | 105.1 | | |
| 270 | Q | 38.7 | Very low | 37.9 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | 72.6 | 95 | 171.6 | -42.1 | -179.4 | 48.2 | 0 | 0 | 114.2 | | |
| 271 | S | 37.7 | Very low | 38 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | | 105 | 159.4 | 88 | 81.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 272 | S | 38.1 | Very low | 38.1 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | cis | -155.6 | 166.4 | 4.6 | 83.4 | 0 | 0 | 0 | 0 | 113 | | |
| 273 | T | 36 | Very low | 38.2 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 64% | 0.644 | 79% | 0.79 | S | S | * | * | | | trans | 65.2 | 114.2 | 143.7 | -41 | 0 | 0 | 0 | 0 | 122.4 | | |
| 274 | N | 35.9 | Very low | 38.2 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | -13.7 | 152.2 | 147.7 | -39.6 | -72.5 | 0 | 0 | 0 | 119.5 | | |
| 275 | F | 35.8 | Very low | 38.6 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | | -179 | 166.2 | 109 | -104.3 | -68.2 | 0 | 0 | 0 | 115.5 | | |
| 276 | L | 47.7 | Very low | 38.9 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | 84.2 | 147.4 | 165.8 | -51.9 | -169.2 | 0 | 0 | 0 | 120.1 | | |
| 277 | Q | 40.3 | Very low | 38.9 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -123.6 | 160.1 | -174.1 | -68.2 | -176.2 | -17.6 | 0 | 0 | 112 | | |
| 278 | P | 46.5 | Very low | 39.1 | Very low | 133 Ų | 133 | 151 Ų | 151 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -84.7 | 136.3 | 176.6 | -3.8 | 22.9 | 0 | 0 | 0 | 113.2 | | |
| 279 | A | 38.4 | Very low | 39.4 | Very low | 105 Ų | 105 | 154.8 Ų | 154.8 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | -100.6 | 149.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 280 | R | 43.1 | Very low | 40.4 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | -122.2 | 144.8 | 174.4 | -73.2 | -175.7 | 172.7 | -168.1 | -1 | 111.9 | | |
| 281 | R | 38 | Very low | 40.7 | Very low | 259 Ų | 259 | 151.5 Ų | 151.5 | 98% | 0.977 | 79% | 0.794 | S | S | * | * | | | trans | -139.5 | 168.6 | 155.2 | -74.7 | -165.1 | 168.5 | 179 | -3.3 | 110.1 | | |
| 282 | A | 34.9 | Very low | 40.9 | Very low | 91 Ų | 91 | 153.2 Ų | 153.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -152.7 | -168.9 | -159.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 283 | V | 40.8 | Very low | 41 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | | | trans | 81.3 | 147.6 | 168.7 | -174.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 284 | R | 43.2 | Very low | 41.6 | Very low | 194 Ų | 194 | 154 Ų | 154 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | cis | -176.2 | 144.9 | -32.8 | -179.1 | 179 | -175.2 | -114.9 | 1.5 | 107.9 | Y286 | R284-Y286 HydrophobicContact CG-CD2 4.44Å; R284-Y286 HydrophobicContact CG-CE2 4.02Å; R284-Y286 VanDerWaalsContact CZ-CE2 3.4Å; R284-Y286 PolarHBondContact NH2-OH 2.84Å |
| 285 | G | 37.9 | Very low | 41.7 | Very low | 68 Ų | 68 | 153.5 Ų | 153.5 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -163.1 | 157.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 286 | Y | 39 | Very low | 41.9 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 66% | 0.659 | 79% | 0.792 | S | S | * | * | | | trans | -141.7 | 172.5 | -166.7 | -86.2 | -105.2 | 0 | 0 | 0 | 114.3 | R284 | R284-Y286 HydrophobicContact CG-CD2 4.44Å; R284-Y286 HydrophobicContact CG-CE2 4.02Å; R284-Y286 VanDerWaalsContact CZ-CE2 3.4Å; R284-Y286 PolarHBondContact NH2-OH 2.84Å |
| 287 | H | 38.7 | Very low | 41.2 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | trans | 127.8 | 164 | 150.3 | -59.7 | -60.2 | 0 | 0 | 0 | 117 | | |
| 288 | S | 41.8 | Very low | 41 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -142.8 | 165.5 | -148.6 | 47.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 289 | R | 42.5 | Very low | 40.8 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | -82.9 | 165.6 | -174.4 | -62.3 | 178 | 167.6 | -145.9 | -3.2 | 116.1 | E120 | E120-R289 IonicContact OE1-CZ 3.33Å; E120-R289 IonicContact OE1-NH1 2.62Å; E120-R289 PolarHBondContact OE1-NH1 3.01Å; E120-R289 IonicContact OE1-NH2 3.64Å; E120-R289 IonicContact OE2-CZ 3.82Å; E120-R289 IonicContact OE2-NH1 2.89Å; E120-R289 PolarHBondContact OE2-NH1 2.81Å |
| 290 | P | 54.2 | Low | 41.1 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | | -161.2 | 143.1 | 113.5 | 36.8 | -15.4 | 0 | 0 | 0 | 122.4 | | |
| 291 | K | 44.4 | Very low | 40.9 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | | 73.7 | 119.9 | 126.1 | -64.2 | 177.2 | 179.3 | -180 | 0 | 128.1 | P119 | P119-K291 WeakPolarHBondContact CB-O 3.45Š|
| 292 | R | 42.3 | Very low | 41.6 | Very low | 149 Ų | 149 | 136 Ų | 136 | 56% | 0.562 | 76% | 0.758 | S | S | * | * | | | | 44 | 117.1 | 127.5 | -82.4 | -175.6 | 169.5 | -168.7 | -6.9 | 129.4 | P119 E120 S121 | P119-R292 VanDerWaalsContact CB-C 3.48Å; E120-R292 WeakPolarHBondContact O-CG 3.49Å; S121-R292 PolarHBondContact O-NE 3.35Å; S121-R292 PolarHBondContact O-NH2 3.46Å |
| 293 | L | 39.9 | Very low | 42 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 52% | 0.518 | 77% | 0.765 | S | S | . | * | | | | 56.1 | 170.1 | 128.9 | -63.4 | 177.8 | 0 | 0 | 0 | 122.1 | | |
| 294 | P | 49.3 | Very low | 41.6 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | cis | -135.3 | -162.3 | 8.6 | 45.9 | -27 | 0 | 0 | 0 | 117.2 | | |
| 295 | C | 36.3 | Very low | 41.5 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 86% | 0.858 | 76% | 0.759 | S | S | * | * | | | trans | -114 | 161.5 | -178.4 | -51.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 296 | S | 39.8 | Very low | 41.8 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | | | trans | -160.3 | 167.3 | 154.8 | -164.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 297 | A | 33.9 | Very low | 42.1 | Very low | 92 Ų | 92 | 153.6 Ų | 153.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | -133.7 | 163.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 298 | A | 35.2 | Very low | 42.4 | Very low | 91 Ų | 91 | 152.5 Ų | 152.5 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -145.8 | 112.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 299 | C | 42.6 | Very low | 42.6 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -117.9 | 105.1 | 173.2 | -73.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 300 | C | 45.4 | Very low | 42.3 | Very low | 116 Ų | 116 | 155.4 Ų | 155.4 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -146.2 | 103.9 | 172.4 | 38.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 301 | I | 39.1 | Very low | 42 | Very low | 138 Ų | 138 | 159.1 Ų | 159.1 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | | 70.7 | 83.6 | 60.6 | -52.7 | 166.6 | 0 | 0 | 0 | 112.9 | | |
| 302 | R | 53.2 | Low | 41.7 | Very low | 223 Ų | 223 | 155.8 Ų | 155.8 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -174.2 | 129.5 | 132.6 | -90.4 | 140.2 | -149.3 | -137.5 | 4.7 | 107.2 | | |
| 303 | R | 42.6 | Very low | 41.4 | Very low | 237 Ų | 237 | 154.4 Ų | 154.4 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | | | | 56.1 | 130.3 | 80.1 | -64.3 | -175.2 | -173.2 | -173.5 | 2.9 | 111.6 | | |
| 304 | D | 31.7 | Very low | 41.2 | Very low | 110 Ų | 110 | 157 Ų | 157 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | | | cis | -163.1 | 142.1 | 3.5 | 169.2 | 33.3 | 0 | 0 | 0 | 109.2 | | |
| 305 | R | 42.1 | Very low | 40.8 | Very low | 236 Ų | 236 | 159.2 Ų | 159.2 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | | -175.9 | 121.4 | 129 | -105.3 | 171.6 | 169.1 | -177.3 | -4.4 | 114.1 | | |
| 306 | R | 43.1 | Very low | 41.1 | Very low | 207 Ų | 207 | 157.6 Ų | 157.6 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | -69.1 | 130 | 168.9 | -67.7 | 157.5 | -80.6 | 167.2 | -2.7 | 111.4 | | |
| 307 | R | 45.5 | Very low | 41.2 | Very low | 245 Ų | 245 | 157.1 Ų | 157.1 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -138.5 | 126.6 | 147.5 | -73.4 | -168.5 | -179.7 | -99.1 | 3.8 | 108.4 | | |
| 308 | L | 45.2 | Very low | 41.2 | Very low | 162 Ų | 162 | 160.3 Ų | 160.3 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -96.8 | -170.7 | 175.2 | -54.7 | 172.7 | 0 | 0 | 0 | 109.5 | | |
| 309 | P | 45.5 | Very low | 41.6 | Very low | 125 Ų | 125 | 162.8 Ų | 162.8 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | | -96.1 | 157.5 | -124.7 | 30.4 | -12.2 | 0 | 0 | 0 | 113.2 | | |
| 310 | R | 36 | Very low | 41.3 | Very low | 251 Ų | 251 | 162.4 Ų | 162.4 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | trans | -132.7 | 140.7 | 162.4 | -64.4 | -162.8 | 80.5 | -171 | 4 | 111.4 | | |
| 311 | K | 49.7 | Very low | 41.2 | Very low | 191 Ų | 191 | 165.7 Ų | 165.7 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | | | trans | -109.8 | 127.3 | 179.4 | 171.4 | 177.9 | 175 | 177.8 | 0 | 108.9 | | |
| 312 | S | 37.9 | Very low | 41 | Very low | 102 Ų | 102 | 165.2 Ų | 165.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -149 | 107.8 | 162.1 | 47.1 | 0 | 0 | 0 | 0 | 105.1 | | |
| 313 | N | 35.4 | Very low | 40.1 | Very low | 121 Ų | 121 | 164.7 Ų | 164.7 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | | | | 62.7 | 106.7 | 83.5 | -61.8 | 3.1 | 0 | 0 | 0 | 110.6 | | |
| 314 | N | 36.3 | Very low | 40 | Very low | 153 Ų | 153 | 161.3 Ų | 161.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | | 177.3 | 102.8 | 118.1 | -84.3 | -9.8 | 0 | 0 | 0 | 110.4 | | |
| 315 | M | 39.9 | Very low | 40.1 | Very low | 168 Ų | 168 | 166.2 Ų | 166.2 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | trans | -106.4 | 116.3 | 153.2 | -106.3 | -65.4 | 116.2 | 0 | 0 | 107.1 | | |
| 316 | P | 42.2 | Very low | 39.9 | Very low | 92 Ų | 92 | 160.4 Ų | 160.4 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | | | trans | -98.7 | 95.6 | 163.4 | 32.8 | -23.6 | 0 | 0 | 0 | 109 | F318 | P316-F318 HydrophobicContact CB-CD2 4.32Å; P316-F318 HydrophobicContact CB-CE2 4.27Å |
| 317 | V | 42.6 | Very low | 39.6 | Very low | 121 Ų | 121 | 154.8 Ų | 154.8 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -77 | 123.5 | 166.6 | 174.6 | 0 | 0 | 0 | 0 | 108 | | |
| 318 | F | 34.8 | Very low | 38.9 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | trans | -122.4 | 88.9 | 169.9 | -86.3 | -76.7 | 0 | 0 | 0 | 111.2 | P316 E320 | P316-F318 HydrophobicContact CB-CD2 4.32Å; P316-F318 HydrophobicContact CB-CE2 4.27Å; F318-E320 HydrophobicContact CD1-CB 4.41Å; F318-E320 HydrophobicContact CD1-CG 4.49Å |
| 319 | V | 42.9 | Very low | 38.5 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | | | trans | -118.8 | 74.9 | 144.2 | -175.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 320 | E | 37.3 | Very low | 38 | Very low | 111 Ų | 111 | 151.1 Ų | 151.1 | 52% | 0.519 | 77% | 0.766 | S | S | . | * | | | trans | -76.5 | 154.7 | 158.6 | -106.2 | -161.7 | 112.3 | 0 | 0 | 108.2 | F318 | F318-E320 HydrophobicContact CD1-CB 4.41Å; F318-E320 HydrophobicContact CD1-CG 4.49Å |
| 321 | R | 42.8 | Very low | 37.8 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | cis | -155.6 | 162.5 | 23.5 | -167.2 | 165.7 | -78.2 | 142.2 | 2.5 | 111.1 | | |
| 322 | L | 35 | Very low | 37.1 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | trans | 75.3 | 139.2 | 162.1 | -126.2 | 63.9 | 0 | 0 | 0 | 115.6 | | |
| 323 | R | 33.5 | Very low | 37.2 | Very low | 211 Ų | 211 | 151.5 Ų | 151.5 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | cis | -134 | 147.2 | 2.9 | -163.1 | 173.1 | -78.7 | -135.8 | 2.6 | 111 | | |
| 324 | H | 39.7 | Very low | 37.2 | Very low | 167 Ų | 167 | 154 Ų | 154 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -82 | 150.1 | 177 | -58.5 | 77.9 | 0 | 0 | 0 | 111.5 | | |
| 325 | F | 34.3 | Very low | 37.2 | Very low | 213 Ų | 213 | 157.4 Ų | 157.4 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | | | | -168 | 142.8 | 123.5 | -99.3 | -64.2 | 0 | 0 | 0 | 110.4 | | |
| 326 | S | 38.6 | Very low | 37.1 | Very low | 113 Ų | 113 | 156.8 Ų | 156.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -125.8 | 122.7 | 177.7 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 327 | A | 36.6 | Very low | 37.4 | Very low | 90 Ų | 90 | 157.7 Ų | 157.7 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | -158.3 | 136.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 328 | D | 30.1 | Very low | 37.2 | Very low | 163 Ų | 163 | 157.3 Ų | 157.3 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | trans | 72 | 140.9 | 141.2 | -58.9 | -11 | 0 | 0 | 0 | 124.7 | | |
| 329 | H | 38.4 | Very low | 37.1 | Very low | 175 Ų | 175 | 155.4 Ų | 155.4 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -88.3 | 150.8 | 177.2 | -104.1 | 39.5 | 0 | 0 | 0 | 112.3 | Q331 | H329-Q331 PolarHBondContact O-N 3.21Š|
| 330 | C | 34.3 | Very low | 36.9 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | 60.9 | 41.6 | 138.5 | -59.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 331 | Q | 32.5 | Very low | 36.8 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -136.3 | 139.2 | 150.9 | -69.6 | -163.2 | 52.3 | 0 | 0 | 109.5 | H329 | H329-Q331 PolarHBondContact O-N 3.21Š|
| 332 | R | 34.3 | Very low | 36.9 | Very low | 210 Ų | 210 | 154.2 Ų | 154.2 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | cis | -144.6 | 153.6 | 3 | -115.3 | 161.9 | -177 | 153 | 1.1 | 109.7 | | |
| 333 | K | 40.1 | Very low | 36.9 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -58.8 | 151.8 | 162.6 | -55.9 | 165.1 | -178.6 | 175.4 | 0 | 109.4 | | |
| 334 | F | 34.9 | Very low | 37.7 | Very low | 173 Ų | 173 | 155.5 Ų | 155.5 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | 172.7 | 139.3 | 131.3 | -90.1 | -55.7 | 0 | 0 | 0 | 113.3 | | |
| 335 | W | 35.3 | Very low | 37.7 | Very low | 226 Ų | 226 | 153.6 Ų | 153.6 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 63.6 | 106.1 | 163.9 | -52.3 | 116.1 | 0 | 0 | 0 | 122 | | |
| 336 | L | 39.7 | Very low | 38 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | | -91.4 | 174.9 | 126.2 | -66.2 | 166.7 | 0 | 0 | 0 | 107.7 | | |
| 337 | P | 47.6 | Very low | 38.2 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | -128.5 | 176.8 | -55.9 | 39.1 | -25.4 | 0 | 0 | 0 | 111.9 | | |
| 338 | S | 38.2 | Very low | 38.2 | Very low | 112 Ų | 112 | 156.4 Ų | 156.4 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -129.3 | 120.1 | 156.6 | 53.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 339 | V | 33.6 | Very low | 39.1 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | | 64 | 101.8 | 62.5 | -175.9 | 0 | 0 | 0 | 0 | 111 | | |
| 340 | G | 37.6 | Very low | 39 | Very low | 81 Ų | 81 | 152.7 Ų | 152.7 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | -162.1 | 76 | -179.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 341 | N | 36.3 | Very low | 39 | Very low | 135 Ų | 135 | 152.9 Ų | 152.9 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -75.2 | 145.3 | -166.7 | -47.8 | -57.1 | 0 | 0 | 0 | 112.5 | | |
| 342 | Q | 43.6 | Very low | 39.6 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | | | | -153 | 105.9 | 122.7 | -116.4 | 177.3 | 25.3 | 0 | 0 | 112.4 | | |
| 343 | D | 36 | Very low | 39.5 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 66% | 0.658 | 78% | 0.784 | S | S | * | * | | | trans | -71.8 | 131.1 | 165.1 | -118.2 | -62.4 | 0 | 0 | 0 | 110.3 | N345 | D343-N345 PolarHBondContact OD1-ND2 3Š|
| 344 | R | 49 | Very low | 39.9 | Very low | 245 Ų | 245 | 144.9 Ų | 144.9 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | | | trans | -150.9 | 75 | 139.7 | -75.3 | -147 | 176.7 | -169.8 | -1.4 | 112 | | |
| 345 | N | 41.1 | Very low | 39.8 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | | | | -19.6 | 139.6 | 124.2 | -87.3 | -59.4 | 0 | 0 | 0 | 112.6 | D343 | D343-N345 PolarHBondContact OD1-ND2 3Š|
| 346 | Q | 40.9 | Very low | 39.7 | Very low | 165 Ų | 165 | 140 Ų | 140 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | | | cis | -148.7 | 172.2 | 23.3 | -53.5 | 173.2 | 11.5 | 0 | 0 | 107.9 | | |
| 347 | L | 42.1 | Very low | 39.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | cis | -152.5 | 170.2 | 36.2 | -77.4 | 165 | 0 | 0 | 0 | 112.1 | | |
| 348 | N | 37.6 | Very low | 39.2 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -110.7 | -177.1 | 172.6 | -123.3 | -25.2 | 0 | 0 | 0 | 108.9 | | |
| 349 | P | 47.6 | Very low | 39 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 62% | 0.623 | 79% | 0.793 | S | S | * | * | | | cis | -140.2 | -166.2 | -15.5 | 27.8 | -1.7 | 0 | 0 | 0 | 114.4 | | |
| 350 | L | 36.8 | Very low | 39.4 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | 87.1 | 144.6 | 155.5 | -51.1 | -178 | 0 | 0 | 0 | 121.3 | | |
| 351 | C | 33.4 | Very low | 39.3 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -113.2 | -170 | 173.4 | -34.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 352 | P | 45.6 | Very low | 39.4 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | cis | -129.3 | -174.1 | -19.9 | 38.9 | -21.8 | 0 | 0 | 0 | 112.6 | | |
| 353 | L | 33.2 | Very low | 38.9 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | | 161.6 | 156.6 | 129.8 | -85.7 | 173.1 | 0 | 0 | 0 | 111.8 | | |
| 354 | P | 47.3 | Very low | 38.9 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -89.7 | 153.9 | -175 | 35.6 | -34.7 | 0 | 0 | 0 | 114.2 | | |
| 355 | M | 33.4 | Very low | 38.2 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | -86.8 | 137 | 170.9 | -74.9 | -90.5 | 97.3 | 0 | 0 | 111.9 | | |
| 356 | C | 34.3 | Very low | 38 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -122.7 | 134.1 | 155 | -73 | 0 | 0 | 0 | 0 | 107.9 | | |
| 357 | P | 43.2 | Very low | 37.8 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -83.3 | 145.8 | 178.2 | 33.6 | -33.9 | 0 | 0 | 0 | 111.8 | | |
| 358 | S | 33.6 | Very low | 37.5 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -136.9 | 132 | 163.1 | -68.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 359 | D | 33.4 | Very low | 37 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | -95.7 | 145.3 | -175.5 | -115.2 | -44.7 | 0 | 0 | 0 | 112.7 | | |
| 360 | M | 41.1 | Very low | 36.4 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | | | trans | 68.2 | 114.5 | 156.3 | -61.8 | -174.5 | 75.2 | 0 | 0 | 121.4 | | |
| 361 | M | 36.9 | Very low | 37.3 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 72.5 | 152.1 | 151.1 | -48.8 | -47.1 | 161.7 | 0 | 0 | 120.2 | | |
| 362 | S | 38.1 | Very low | 38.1 | Very low | 83 Ų | 83 | 135 Ų | 135 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | | | cis | -162.2 | 142.3 | -35 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 363 | E | 33.1 | Very low | 37.5 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | 55.7 | 157.6 | 160 | -72.1 | 163.7 | 111.8 | 0 | 0 | 121.9 | | |
| 364 | G | 34.4 | Very low | 37.6 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | 87.7 | 65.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 365 | S | 35.2 | Very low | 37 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | | 79.3 | 130.1 | 75.6 | 80.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 366 | Y | 37.7 | Very low | 36.9 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | 66.4 | 106.8 | 175.1 | -45.5 | -71.9 | 0 | 0 | 0 | 116.6 | | |
| 367 | V | 36.2 | Very low | 37.2 | Very low | 123 Ų | 123 | 143 Ų | 143 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | | | | 71 | 97.4 | 51.9 | -174.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 368 | R | 34.5 | Very low | 36.9 | Very low | 236 Ų | 236 | 144.5 Ų | 144.5 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | | | | -172.4 | 170.8 | 94.4 | -149.6 | 167 | -86.8 | -171.5 | -5.5 | 110.9 | | |
| 369 | C | 28.7 | Very low | 37.2 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -110 | 148.3 | -164.7 | -48 | 0 | 0 | 0 | 0 | 114.8 | | |
| 370 | S | 33.5 | Very low | 37.4 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 28.3 | 164.9 | 130.8 | -46.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 371 | P | 56.8 | Low | 37.1 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | cis | -124 | -134 | -36.1 | 34.9 | -12.7 | 0 | 0 | 0 | 107.7 | | |
| 372 | P | 51 | Low | 37.3 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | | | cis | -131.8 | -173.6 | -26.8 | 40.2 | -21.9 | 0 | 0 | 0 | 115.4 | | |
| 373 | S | 33 | Very low | 37.6 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | 62.1 | 132.7 | 148.4 | 73.6 | 0 | 0 | 0 | 0 | 123 | | |
| 374 | I | 33.9 | Very low | 37.7 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | | | | -169.5 | 163.7 | 118.1 | -97.2 | 161.8 | 0 | 0 | 0 | 109.7 | | |
| 375 | R | 35.2 | Very low | 37.9 | Very low | 237 Ų | 237 | 147.5 Ų | 147.5 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | | | trans | -83.1 | 151.4 | -176.9 | -56.4 | 166.7 | 172.7 | 171.9 | -4.3 | 112 | | |
| 376 | S | 31.1 | Very low | 37.9 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | | 174.1 | 177.8 | 108.8 | -156.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 377 | R | 41.4 | Very low | 37.5 | Very low | 213 Ų | 213 | 147.6 Ų | 147.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -97.6 | 156.9 | -164.1 | -64.3 | 176.3 | 175.2 | -133.1 | -0.4 | 115 | | |
| 378 | Q | 35.9 | Very low | 37.5 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | 80.4 | 118.7 | 143.4 | -80.2 | 166.9 | -40.5 | 0 | 0 | 122.4 | | |
| 379 | I | 40.4 | Very low | 37.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | | | | 60.6 | 121.7 | 126.7 | -57.4 | 167.2 | 0 | 0 | 0 | 119.5 | F381 | I379-F381 HydrophobicContact CG2-CE2 4.49Š|
| 380 | N | 38 | Very low | 37.7 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | -160.2 | 168.7 | 133.7 | -99.7 | -41.9 | 0 | 0 | 0 | 111.6 | | |
| 381 | F | 33.8 | Very low | 38.2 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 75% | 0.746 | 80% | 0.798 | S | S | * | * | | | trans | -110.6 | 148 | -163.8 | -78.2 | -104.8 | 0 | 0 | 0 | 114.8 | I379 | I379-F381 HydrophobicContact CG2-CE2 4.49Š|
| 382 | I | 40.4 | Very low | 37.6 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | 63.6 | 164.5 | 139 | -68.9 | 174.5 | 0 | 0 | 0 | 117.5 | | |
| 383 | P | 46.3 | Very low | 37.1 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | cis | -112.5 | -166.8 | -18.5 | 29.6 | -9.8 | 0 | 0 | 0 | 113 | | |
| 384 | G | 33.3 | Very low | 37.5 | Very low | 72 Ų | 72 | 161 Ų | 161 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | | | trans | -165.1 | -34.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 385 | L | 39.8 | Very low | 38.1 | Very low | 179 Ų | 179 | 162.4 Ų | 162.4 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | | | trans | 63 | 139.9 | 180 | -65.1 | 171.5 | 0 | 0 | 0 | 118.5 | | |
| 386 | L | 34.6 | Very low | 38.2 | Very low | 171 Ų | 171 | 159.4 Ų | 159.4 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | | | trans | -98.3 | 155.7 | 168.6 | -65.4 | 104.1 | 0 | 0 | 0 | 111 | | |
| 387 | C | 30.7 | Very low | 38.4 | Very low | 137 Ų | 137 | 160.4 Ų | 160.4 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | | | trans | -87.7 | 151.8 | 168 | -162.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 388 | S | 34.8 | Very low | 37.9 | Very low | 98 Ų | 98 | 159.7 Ų | 159.7 | 69% | 0.685 | 83% | 0.827 | S | S | * | * | | | trans | -109.5 | 136 | -165.2 | -165.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 389 | S | 35.3 | Very low | 37.8 | Very low | 101 Ų | 101 | 156.3 Ų | 156.3 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | | | trans | 40.9 | 117.5 | 143.3 | 63.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 390 | D | 32 | Very low | 37.4 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | | | trans | -113.7 | 130.9 | 162.2 | -124.2 | -30.4 | 0 | 0 | 0 | 110.3 | | |
| 391 | V | 45.2 | Very low | 37.2 | Very low | 137 Ų | 137 | 157.2 Ų | 157.2 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | | | trans | -137.8 | 118.3 | 174.8 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 392 | R | 42.8 | Very low | 37.3 | Very low | 237 Ų | 237 | 155.8 Ų | 155.8 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | | | trans | -79.9 | 135.8 | -171.9 | -66.4 | 178 | 167.9 | -164.3 | -5.9 | 113.9 | | |
| 393 | R | 41.4 | Very low | 36.9 | Very low | 250 Ų | 250 | 154.3 Ų | 154.3 | 94% | 0.943 | 83% | 0.825 | S | S | * | * | | | trans | -134.5 | 152.1 | 150.5 | -81.6 | -170.5 | -85.5 | -165.1 | -4.7 | 110.4 | | |
| 394 | K | 41.8 | Very low | 36.1 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | | | trans | -101.3 | 144.7 | -170.3 | -55.2 | 178 | 178.6 | -175.9 | 0 | 112.3 | | |
| 395 | K | 45.6 | Very low | 36.1 | Very low | 200 Ų | 200 | 154.9 Ų | 154.9 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | | | | -174.5 | 173 | 107.5 | -103 | -175.4 | 174 | -170.9 | 0 | 111.7 | | |
| 396 | E | 38.3 | Very low | 35.9 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | -105.2 | -171.7 | -163.2 | -63.1 | 149.7 | 121.3 | 0 | 0 | 113.3 | | |
| 397 | T | 34 | Very low | 35.9 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | 72.3 | 137 | -169.7 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 398 | E | 31.7 | Very low | 36.2 | Very low | 197 Ų | 197 | 150.5 Ų | 150.5 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | cis | -122.6 | -174.3 | 12.5 | -155.6 | 158.4 | -153.4 | 0 | 0 | 112.4 | | |
| 399 | A | 33.8 | Very low | 37 | Very low | 86 Ų | 86 | 150.8 Ų | 150.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -122 | -173.5 | -165 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 400 | V | 32.2 | Very low | 36.8 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | | | trans | 86.3 | 107.7 | 166.8 | -179.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 401 | F | 34 | Very low | 36.8 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | | 32.2 | 150.4 | 122.1 | -53.7 | -67.1 | 0 | 0 | 0 | 120.3 | | |
| 402 | I | 35.1 | Very low | 36.7 | Very low | 140 Ų | 140 | 158.3 Ų | 158.3 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | | | cis | -165.1 | 162.5 | 14.5 | -131.5 | 167.1 | 0 | 0 | 0 | 113.4 | | |
| 403 | T | 32.1 | Very low | 36.4 | Very low | 118 Ų | 118 | 154 Ų | 154 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | 33.3 | 119.2 | 161.9 | 63.6 | 0 | 0 | 0 | 0 | 124.5 | | |
| 404 | A | 30.5 | Very low | 36.2 | Very low | 88 Ų | 88 | 150.3 Ų | 150.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | | 60.9 | 153.1 | 111.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 405 | S | 32.8 | Very low | 36 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | 74.3 | 150.7 | 165.7 | 79.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 406 | A | 35.1 | Very low | 35.4 | Very low | 82 Ų | 82 | 148.1 Ų | 148.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | cis | -167.5 | -178.7 | -28.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 407 | I | 35.5 | Very low | 35.4 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 72.4 | 89.1 | 158.8 | -54.9 | 155.7 | 0 | 0 | 0 | 117 | | |
| 408 | N | 36.6 | Very low | 35.4 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | | 58.9 | 153.8 | 127.7 | -79.8 | 1.1 | 0 | 0 | 0 | 123.7 | | |
| 409 | P | 50.2 | Low | 35.6 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | trans | -95.7 | 166.4 | -167.7 | 39.2 | -36.7 | 0 | 0 | 0 | 113.6 | | |
| 410 | F | 31 | Very low | 35.7 | Very low | 216 Ų | 216 | 150.6 Ų | 150.6 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | | | trans | -132.6 | 163.8 | 158.3 | -103.5 | -80.6 | 0 | 0 | 0 | 113.7 | | |
| 411 | H | 33.8 | Very low | 35.5 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | | | trans | -96.2 | 163.9 | -156.1 | -160.4 | 32.2 | 0 | 0 | 0 | 112.5 | | |
| 412 | K | 41.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 144 Ų | 144 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -76.1 | 150.8 | 165.2 | -56.1 | 176.2 | 179.2 | 176.9 | 0 | 108.9 | | |
| 413 | D | 36.8 | Very low | 35.2 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | | -179.5 | -164 | 101.5 | -97.2 | -12.5 | 0 | 0 | 0 | 111.5 | | |
| 414 | Q | 37.7 | Very low | 35.3 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -120.5 | 145 | -137 | -160.3 | 168.4 | -7.3 | 0 | 0 | 113.8 | | |
| 415 | Q | 36.5 | Very low | 35.5 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | 20 | 117.5 | 159.9 | -78.3 | -159.1 | 35.5 | 0 | 0 | 121.2 | | |
| 416 | R | 33.9 | Very low | 35.6 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | | 102.6 | 118.9 | 110.3 | -168.7 | 179.8 | -151.3 | -117.6 | 10.7 | 119.8 | | |
| 417 | K | 38.6 | Very low | 35.6 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | | | trans | 72.2 | 92.6 | 153.2 | -75.1 | -174.4 | 171.9 | -152.1 | 0 | 120.4 | | |
| 418 | E | 33.8 | Very low | 36.3 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | | 47.4 | 100 | 99.1 | -171.1 | -179.1 | -146.3 | 0 | 0 | 118.8 | | |
| 419 | A | 35.2 | Very low | 36.3 | Very low | 103 Ų | 103 | 145 Ų | 145 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | -159.1 | 159.1 | 133.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 420 | K | 35.5 | Very low | 36.4 | Very low | 214 Ų | 214 | 145.1 Ų | 145.1 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -83 | 138 | -166.8 | -63.1 | 166.7 | 176.6 | 173.1 | 0 | 114.9 | | |
| 421 | G | 29.9 | Very low | 36.4 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | | 95.5 | 153.6 | 125 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 422 | G | 30.7 | Very low | 36.5 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | 111.1 | 110.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 423 | A | 32.3 | Very low | 36.2 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -64.3 | 146.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 424 | C | 34.3 | Very low | 36 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | 46 | 109.2 | 136.1 | -59 | 0 | 0 | 0 | 0 | 122.4 | | |
| 425 | S | 34 | Very low | 36.8 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | | 86.9 | 154.2 | 119 | 72.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 426 | I | 35 | Very low | 36.6 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | 83.8 | 144.5 | 168.4 | -44.5 | -179 | 0 | 0 | 0 | 116.8 | | |
| 427 | T | 35.5 | Very low | 37 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -106.8 | -178.2 | -177.8 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 428 | P | 49.3 | Very low | 37.7 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | cis | -136.6 | -165.1 | 5.7 | 43.3 | -22.6 | 0 | 0 | 0 | 116.4 | | |
| 429 | I | 36.1 | Very low | 37.7 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -50.4 | 142 | 171.4 | -69.7 | 162.2 | 0 | 0 | 0 | 113.2 | | |
| 430 | P | 52.1 | Low | 37.7 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | | -157.4 | 170.9 | 83.9 | 43.9 | -23.3 | 0 | 0 | 0 | 120.8 | | |
| 431 | E | 32.7 | Very low | 38.9 | Very low | 188 Ų | 188 | 118.7 Ų | 118.7 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | trans | 63.4 | 153.6 | 153 | -76.9 | -177.3 | -164.4 | 0 | 0 | 120.6 | | |
| 432 | A | 34.4 | Very low | 39.1 | Very low | 81 Ų | 81 | 121 Ų | 121 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | cis | -163.4 | -179.6 | -15.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 433 | V | 35.5 | Very low | 39.2 | Very low | 148 Ų | 148 | 122.2 Ų | 122.2 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | trans | 107.4 | 111.7 | 164.2 | -175.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 434 | G | 33.4 | Very low | 39.3 | Very low | 61 Ų | 61 | 122 Ų | 122 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | trans | -129.9 | -154 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 435 | P | 53.6 | Low | 39.3 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | cis | -98.3 | -140.4 | -5.2 | 37.8 | -24.8 | 0 | 0 | 0 | 110.1 | | |
| 436 | S | 33.7 | Very low | 40.5 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | | | cis | -156.5 | 140.7 | 2 | 30.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 437 | T | 40.6 | Very low | 40.5 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | | 57.7 | 149.1 | 67.8 | 57.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 438 | P | 53.3 | Low | 40.5 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | cis | -138.2 | -172.4 | -38 | 39.4 | -22.7 | 0 | 0 | 0 | 112.6 | | |
| 439 | Q | 34.7 | Very low | 39.9 | Very low | 191 Ų | 191 | 124.9 Ų | 124.9 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | | 174 | 162.4 | 126.6 | -96.2 | 176.6 | 13.1 | 0 | 0 | 115.1 | | |
| 440 | S | 34.9 | Very low | 39.9 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -167.1 | -174.7 | 178.2 | 67.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 441 | P | 61 | Low | 39.1 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | cis | -123.5 | -128.4 | -26.1 | 38.8 | -19.7 | 0 | 0 | 0 | 110.1 | | |
| 442 | T | 33.6 | Very low | 39.3 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 84.1 | 145.6 | 174.5 | 67.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 443 | S | 33.1 | Very low | 39.4 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | cis | -167.6 | 160 | -14.6 | 46.7 | 0 | 0 | 0 | 0 | 113 | | |
| 444 | A | 34.7 | Very low | 39.5 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | 50.9 | 107.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 445 | E | 34.1 | Very low | 39.8 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | | 46.3 | 177.9 | 106.2 | -122.4 | -168 | -133.1 | 0 | 0 | 121.2 | | |
| 446 | P | 58.6 | Low | 39.4 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | | -119.9 | 177 | -111.3 | 42.6 | -27.9 | 0 | 0 | 0 | 114.6 | | |
| 447 | E | 34.9 | Very low | 39.9 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | trans | -160 | -178.3 | 139.9 | -122.9 | 172.6 | -142.9 | 0 | 0 | 114 | | |
| 448 | S | 37.2 | Very low | 40.2 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -121.4 | -179.8 | -163.1 | -61 | 0 | 0 | 0 | 0 | 113.6 | | |
| 449 | S | 35.3 | Very low | 40 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | trans | 63 | 110.7 | 168.8 | 31.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 450 | S | 35.8 | Very low | 40.3 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | | 66.5 | 109.2 | 68.2 | 78.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 451 | L | 36 | Very low | 40.5 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | -178.5 | 136.8 | 131.3 | -117.8 | 59.1 | 0 | 0 | 0 | 113.6 | | |
| 452 | L | 36.2 | Very low | 39.4 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | 58.7 | 147.4 | 139.4 | -74 | 169.3 | 0 | 0 | 0 | 125.9 | | |
| 453 | Q | 38.1 | Very low | 39.8 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | 84.1 | 154.6 | 138.5 | -81.9 | 159.1 | -22.4 | 0 | 0 | 122.2 | | |
| 454 | G | 37.9 | Very low | 40.2 | Very low | 63 Ų | 63 | 142.4 Ų | 142.4 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | 91.6 | 99.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 455 | N | 38.9 | Very low | 40.5 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | | 48.7 | 104.5 | 56.9 | -54.8 | -3.2 | 0 | 0 | 0 | 110.1 | | |
| 456 | H | 45.2 | Very low | 41 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | | | | 66.2 | 95.1 | 53.8 | -158.1 | -30.1 | 0 | 0 | 0 | 111.9 | | |
| 457 | E | 45.2 | Very low | 39.6 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -155.6 | 161.9 | 163.7 | -129.1 | 166.6 | -139.9 | 0 | 0 | 108.6 | | |
| 458 | D | 46.8 | Very low | 40 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | | | trans | -93.2 | 154.3 | -153.9 | -53.9 | -70.3 | 0 | 0 | 0 | 115.9 | | |
| 459 | T | 48.1 | Very low | 40.3 | Very low | 222 Ų | 222 | 145.5 Ų | 145.5 | 100% | 1.362 | 82% | 0.817 | S | S | * | * | | | trans | -165.7 | 0 | 134.2 | 6.1 | 0 | 0 | 0 | 0 | 112.4 | | |