| 1 | M | 35.6 | Very low | 40 | Very low | 237 Ų | 237 | 172.6 Ų | 172.6 | 100% | 1.167 | 81% | 0.807 | S | S | * | * | | | | 0 | 109.2 | 0 | -61 | 169.7 | -176.3 | 0 | 0 | 105.6 | | |
| 2 | H | 39.7 | Very low | 40.3 | Very low | 181 Ų | 181 | 167 Ų | 167 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | | 61.1 | 79.9 | 62.8 | -85.6 | 112.6 | 0 | 0 | 0 | 114 | | |
| 3 | Q | 37.6 | Very low | 40.7 | Very low | 189 Ų | 189 | 162.3 Ų | 162.3 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | -157.3 | 102.5 | 133.2 | -101.1 | 175.2 | 23.6 | 0 | 0 | 105.2 | | |
| 4 | D | 42.3 | Very low | 41 | Very low | 94 Ų | 94 | 159 Ų | 159 | 50% | 0.503 | 75% | 0.754 | S | S | . | * | | | cis | 65.6 | 51.7 | 48.2 | -165.5 | 24.2 | 0 | 0 | 0 | 113.1 | R6 | D4-R6 VanDerWaalsContact CG-NH1 3.29Å; D4-R6 PolarHBondContact O-N 3.37Å; D4-R6 WeakPolarHBondContact OD1-CG 3.48Å; D4-R6 IonicContact OD1-CZ 3.83Å; D4-R6 IonicContact OD1-NH1 3.21Å; D4-R6 PolarHBondContact OD1-NH1 3.18Å; D4-R6 IonicContact OD2-CZ 3.31Å; D4-R6 VanDerWaalsContact OD2-CZ 3.31Å; D4-R6 IonicContact OD2-NH1 2.64Å; D4-R6 PolarHBondContact OD2-NH1 3.42Å; D4-R6 IonicContact OD2-NH2 3.42Å; D4-R6 PolarHBondContact OD2-NH2 2.64Å |
| 5 | Q | 38.2 | Very low | 41.5 | Very low | 186 Ų | 186 | 153.1 Ų | 153.1 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | | | trans | -90.8 | 80.4 | 167.9 | -170.3 | 153.3 | 94.7 | 0 | 0 | 110.2 | F7 | Q5-F7 PolarHBondContact O-N 3.21Š|
| 6 | R | 38.6 | Very low | 42.1 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | | | trans | -55.8 | 115 | 174.2 | -74.4 | -179.4 | -84.5 | -83.6 | -7.1 | 111.6 | D4 R8 | D4-R6 VanDerWaalsContact CG-NH1 3.29Å; D4-R6 PolarHBondContact O-N 3.37Å; D4-R6 WeakPolarHBondContact OD1-CG 3.48Å; D4-R6 IonicContact OD1-CZ 3.83Å; D4-R6 IonicContact OD1-NH1 3.21Å; D4-R6 PolarHBondContact OD1-NH1 3.18Å; D4-R6 IonicContact OD2-CZ 3.31Å; D4-R6 VanDerWaalsContact OD2-CZ 3.31Å; D4-R6 IonicContact OD2-NH1 2.64Å; D4-R6 PolarHBondContact OD2-NH1 3.42Å; D4-R6 IonicContact OD2-NH2 3.42Å; D4-R6 PolarHBondContact OD2-NH2 2.64Å; R6-R8 PolarHBondContact O-N 3.3Å |
| 7 | F | 37.5 | Very low | 42.9 | Very low | 201 Ų | 201 | 150 Ų | 150 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | | | trans | -61.7 | 114.7 | 155.6 | -93.7 | -97 | 0 | 0 | 0 | 108.6 | Q5 M9 | Q5-F7 PolarHBondContact O-N 3.21Å; F7-M9 PolarHBondContact O-N 3.17Å |
| 8 | R | 38.7 | Very low | 43.5 | Very low | 231 Ų | 231 | 148.1 Ų | 148.1 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | | | trans | -69 | 110.6 | 169.7 | -86.4 | -78 | -169.2 | 166 | 2 | 108.1 | R6 D10 | R6-R8 PolarHBondContact O-N 3.3Å; R8-D10 PolarHBondContact O-N 3.12Å; R8-D10 VanDerWaalsContact O-N 3.12Å |
| 9 | M | 38 | Very low | 44.3 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | | | trans | -80.8 | 88.9 | 179.1 | -177 | 159.8 | 56.5 | 0 | 0 | 110.9 | F7 S11 | F7-M9 PolarHBondContact O-N 3.17Å; M9-S11 PolarHBondContact O-N 3.21Å |
| 10 | D | 47.1 | Very low | 44.9 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 90.4 | 169.5 | -82 | -41.3 | 0 | 0 | 0 | 110.3 | R8 | R8-D10 PolarHBondContact O-N 3.12Å; R8-D10 VanDerWaalsContact O-N 3.12Å |
| 11 | S | 46.5 | Very low | 45.6 | Very low | 73 Ų | 73 | 145 Ų | 145 | 51% | 0.51 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.7 | -36.1 | -175 | -178.6 | 0 | 0 | 0 | 0 | 114.1 | M9 P15 | M9-S11 PolarHBondContact O-N 3.21Å; S11-P15 VanDerWaalsContact O-CD 3.3Å; S11-P15 WeakPolarHBondContact O-CD 2.96Å |
| 12 | V | 44.1 | Very low | 46.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -86.5 | -25.4 | -172.4 | -166.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 13 | E | 45.1 | Very low | 48 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 50% | 0.495 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -77.6 | -34.8 | -172.2 | -172.5 | 74.5 | 178.2 | 0 | 0 | 113 | K17 | E13-K17 VanDerWaalsContact CD-NZ 3.35Å; E13-K17 HydrophobicContact CG-CD 3.99Å; E13-K17 WeakPolarHBondContact O-CG 3.42Å; E13-K17 PolarHBondContact O-N 3.49Å; E13-K17 VanDerWaalsContact O-N 3.11Å; E13-K17 WeakPolarHBondContact OE1-CE 2.93Å; E13-K17 IonicContact OE1-NZ 2.63Å; E13-K17 PolarHBondContact OE1-NZ 2.82Å |
| 14 | E | 44.8 | Very low | 49.5 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 54% | 0.542 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.3 | -42.5 | -172.9 | -145.2 | -146.4 | 174 | 0 | 0 | 113.9 | Q16 K17 K18 | E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-Q16 PolarHBondContact O-N 2.93Å; E14-K17 PolarHBondContact O-N 2.81Å; E14-K18 WeakPolarHBondContact O-CG 3.49Å; E14-K18 PolarHBondContact O-N 2.63Å; E14-K18 WeakPolarHBondContact OE1-CE 3.14Å; E14-K18 IonicContact OE1-NZ 3.61Å; E14-K18 PolarHBondContact OE1-NZ 2.96Å; E14-K18 IonicContact OE2-NZ 3.68Å; E14-K18 PolarHBondContact OE2-NZ 3.37Å |
| 15 | P | 48.2 | Very low | 51.2 | Low | 70 Ų | 70 | 130.1 Ų | 130.1 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.5 | -43.4 | 174.3 | -24.4 | 34.8 | 0 | 0 | 0 | 112.2 | S11 K18 V19 | S11-P15 VanDerWaalsContact O-CD 3.3Å; S11-P15 WeakPolarHBondContact O-CD 2.96Å; P15-K18 PolarHBondContact O-N 3.15Å; P15-V19 WeakPolarHBondContact O-CG2 3.26Å; P15-V19 PolarHBondContact O-N 2.75Å |
| 16 | Q | 51.1 | Low | 53.2 | Low | 131 Ų | 131 | 124.3 Ų | 124.3 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.2 | -41 | 179.9 | -61.7 | -165.5 | 17.6 | 0 | 0 | 111.7 | E14 K18 V19 F20 | E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-Q16 PolarHBondContact O-N 2.93Å; Q16-K18 VanDerWaalsContact C-N 3.35Å; Q16-K18 PolarHBondContact O-N 2.97Å; Q16-V19 PolarHBondContact O-N 3.16Å; Q16-F20 VanDerWaalsContact O-CB 3.31Å; Q16-F20 WeakPolarHBondContact O-CB 3.46Å; Q16-F20 PolarHBondContact O-N 2.95Å |
| 17 | K | 55.5 | Low | 55.5 | Low | 123 Ų | 123 | 124 Ų | 124 | 54% | 0.535 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.1 | -36.1 | 173.8 | -76.8 | 175.5 | 179.9 | 158.8 | 0 | 112.8 | E13 E14 K21 | E13-K17 VanDerWaalsContact CD-NZ 3.35Å; E13-K17 HydrophobicContact CG-CD 3.99Å; E13-K17 WeakPolarHBondContact O-CG 3.42Å; E13-K17 PolarHBondContact O-N 3.49Å; E13-K17 VanDerWaalsContact O-N 3.11Å; E13-K17 WeakPolarHBondContact OE1-CE 2.93Å; E13-K17 IonicContact OE1-NZ 2.63Å; E13-K17 PolarHBondContact OE1-NZ 2.82Å; E14-K17 PolarHBondContact O-N 2.81Å; K17-K21 VanDerWaalsContact O-CB 3.25Å; K17-K21 WeakPolarHBondContact O-CB 3.32Å; K17-K21 PolarHBondContact O-N 3.3Å |
| 18 | K | 55.1 | Low | 57.5 | Low | 115 Ų | 115 | 118.4 Ų | 118.4 | 50% | 0.5 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.4 | -47.9 | 173.4 | -74.1 | 167.5 | 177.2 | 168.7 | 0 | 111.3 | E14 P15 Q16 K21 A22 | E14-K18 WeakPolarHBondContact O-CG 3.49Å; E14-K18 PolarHBondContact O-N 2.63Å; E14-K18 WeakPolarHBondContact OE1-CE 3.14Å; E14-K18 IonicContact OE1-NZ 3.61Å; E14-K18 PolarHBondContact OE1-NZ 2.96Å; E14-K18 IonicContact OE2-NZ 3.68Å; E14-K18 PolarHBondContact OE2-NZ 3.37Å; P15-K18 PolarHBondContact O-N 3.15Å; Q16-K18 VanDerWaalsContact C-N 3.35Å; Q16-K18 PolarHBondContact O-N 2.97Å; K18-K21 PolarHBondContact O-N 2.86Å; K18-A22 WeakPolarHBondContact O-CB 3Å; K18-A22 PolarHBondContact O-N 3.45Å |
| 19 | V | 57.2 | Low | 59.7 | Low | 83 Ų | 83 | 110.5 Ų | 110.5 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -42.2 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 112.2 | P15 Q16 A22 R23 | P15-V19 WeakPolarHBondContact O-CG2 3.26Å; P15-V19 PolarHBondContact O-N 2.75Å; Q16-V19 PolarHBondContact O-N 3.16Å; V19-A22 PolarHBondContact O-N 2.97Å; V19-R23 HydrophobicContact CG1-CG 4.44Å; V19-R23 WeakPolarHBondContact O-CB 3.31Å; V19-R23 WeakPolarHBondContact O-CG 3.4Å; V19-R23 PolarHBondContact O-N 2.64Å |
| 20 | F | 56.9 | Low | 62.2 | Low | 148 Ų | 148 | 104.2 Ų | 104.2 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.1 | -39.2 | 178 | -167.7 | -90.8 | 0 | 0 | 0 | 111.8 | Q16 R23 K24 | Q16-F20 VanDerWaalsContact O-CB 3.31Å; Q16-F20 WeakPolarHBondContact O-CB 3.46Å; Q16-F20 PolarHBondContact O-N 2.95Å; F20-R23 PolarHBondContact O-N 2.74Å; F20-K24 VanDerWaalsContact O-CB 3.32Å; F20-K24 WeakPolarHBondContact O-CB 3.46Å; F20-K24 PolarHBondContact O-N 3.01Å |
| 21 | K | 60.8 | Low | 64.2 | Low | 149 Ų | 149 | 102.3 Ų | 102.3 | 65% | 0.648 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -41.5 | 174.8 | -167.8 | 163.3 | 63.4 | 177 | 0 | 111.3 | K17 K18 K24 T25 | K17-K21 VanDerWaalsContact O-CB 3.25Å; K17-K21 WeakPolarHBondContact O-CB 3.32Å; K17-K21 PolarHBondContact O-N 3.3Å; K18-K21 PolarHBondContact O-N 2.86Å; K21-K24 PolarHBondContact O-N 3.33Å; K21-T25 PolarHBondContact O-N 2.79Å; K21-T25 VanDerWaalsContact O-N 3.08Å; K21-T25 PolarHBondContact O-OG1 3.19Å |
| 22 | A | 60.2 | Low | 65.9 | Low | 47 Ų | 47 | 105.8 Ų | 105.8 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -51.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K18 V19 K24 T25 M26 | K18-A22 WeakPolarHBondContact O-CB 3Å; K18-A22 PolarHBondContact O-N 3.45Å; V19-A22 PolarHBondContact O-N 2.97Å; A22-K24 PolarHBondContact O-N 3.11Å; A22-T25 PolarHBondContact O-N 2.98Å; A22-T25 PolarHBondContact O-OG1 3.26Å; A22-T25 VanDerWaalsContact O-OG1 3.11Å; A22-M26 WeakPolarHBondContact O-CG 3.45Å; A22-M26 PolarHBondContact O-N 3.44Å |
| 23 | R | 65.1 | Low | 67.9 | Low | 65 Ų | 65 | 106.4 Ų | 106.4 | 25% | 0.245 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -60.8 | -13.6 | 174.9 | -75.8 | 178.2 | 170.8 | -111.9 | -0.5 | 114.1 | V19 F20 D35 H38 | V19-R23 HydrophobicContact CG1-CG 4.44Å; V19-R23 WeakPolarHBondContact O-CB 3.31Å; V19-R23 WeakPolarHBondContact O-CG 3.4Å; V19-R23 PolarHBondContact O-N 2.64Å; F20-R23 PolarHBondContact O-N 2.74Å; R23-D35 IonicContact CZ-OD1 2.64Å; R23-D35 IonicContact NH1-OD1 2.63Å; R23-D35 PolarHBondContact NH1-OD1 3.25Å; R23-D35 IonicContact NH1-OD2 3.21Å; R23-D35 IonicContact NH2-OD1 2.82Å; R23-D35 PolarHBondContact NH2-OD1 3Å; R23-H38 PolarHBondContact NH2-CD2 2.98Å; R23-H38 PolarHBondContact NH2-NE2 3.36Å |
| 24 | K | 69.2 | Low | 69.8 | Low | 163 Ų | 163 | 104.5 Ų | 104.5 | 71% | 0.709 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -96.6 | -20.5 | 174.3 | -172.4 | 171.4 | -179.6 | 177.2 | 0 | 113.5 | F20 K21 A22 | F20-K24 VanDerWaalsContact O-CB 3.32Å; F20-K24 WeakPolarHBondContact O-CB 3.46Å; F20-K24 PolarHBondContact O-N 3.01Å; K21-K24 PolarHBondContact O-N 3.33Å; A22-K24 PolarHBondContact O-N 3.11Å |
| 25 | T | 77.2 | Confident | 71.6 | Confident | 114 Ų | 114 | 101.7 Ų | 101.7 | 70% | 0.699 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -98.2 | -15.8 | 174.3 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | K21 A22 | K21-T25 PolarHBondContact O-N 2.79Å; K21-T25 VanDerWaalsContact O-N 3.08Å; K21-T25 PolarHBondContact O-OG1 3.19Å; A22-T25 PolarHBondContact O-N 2.98Å; A22-T25 PolarHBondContact O-OG1 3.26Å; A22-T25 VanDerWaalsContact O-OG1 3.11Å |
| 26 | M | 80 | Confident | 73.3 | Confident | 64 Ų | 64 | 100.6 Ų | 100.6 | 32% | 0.315 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -65.2 | 151.1 | 169.8 | -74 | 176.8 | 69.5 | 0 | 0 | 111.8 | A22 D30 L34 | A22-M26 WeakPolarHBondContact O-CG 3.45Å; A22-M26 PolarHBondContact O-N 3.44Å; M26-D30 HydrophobicContact CB-CB 4.41Å; M26-D30 HydrophobicContact CE-CB 3.49Å; M26-D30 VanDerWaalsContact CE-CB 3.49Å; M26-D30 WeakPolarHBondContact CE-O 3.38Å; M26-L34 HydrophobicContact CE-CD1 3.52Å; M26-L34 HydrophobicContact CE-CG 4Å; M26-L34 HydrophobicContact SD-CD1 3.77Å |
| 27 | R | 87.2 | Confident | 74.9 | Confident | 176 Ų | 176 | 99 Ų | 99 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | | | trans | -71.3 | 156.7 | 173.2 | -53.9 | 171.6 | -65.6 | 179.4 | 5.4 | 109.5 | S29 D30 R31 | R27-S29 VanDerWaalsContact C-N 3.28Å; R27-S29 PolarHBondContact O-N 2.91Å; R27-D30 VanDerWaalsContact CB-OD2 3.22Å; R27-D30 WeakPolarHBondContact CB-OD2 3.12Å; R27-D30 WeakPolarHBondContact CG-OD2 3.3Å; R27-D30 IonicContact CZ-OD1 3.58Å; R27-D30 IonicContact CZ-OD2 2.83Å; R27-D30 PolarHBondContact N-OD2 3.49Å; R27-D30 VanDerWaalsContact N-OD2 3.13Å; R27-D30 IonicContact NE-OD1 2.66Å; R27-D30 PolarHBondContact NE-OD1 3.42Å; R27-D30 IonicContact NE-OD2 3.35Å; R27-D30 PolarHBondContact NE-OD2 2.81Å; R27-D30 IonicContact NH2-OD1 2.65Å; R27-D30 PolarHBondContact NH2-OD1 3.46Å; R27-D30 IonicContact NH2-OD2 2.73Å; R27-D30 PolarHBondContact O-N 3.33Å; R27-R31 PolarHBondContact O-N 3.44Å |
| 28 | A | 79.4 | Confident | 76.2 | Confident | 84 Ų | 84 | 97.9 Ų | 97.9 | 69% | 0.694 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.4 | -41.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R31 Q32 | A28-R31 PolarHBondContact O-N 3.2Å; A28-Q32 WeakPolarHBondContact O-CB 3.25Å; A28-Q32 PolarHBondContact O-N 2.89Å |
| 29 | S | 85.8 | Confident | 77.5 | Confident | 65 Ų | 65 | 99.8 Ų | 99.8 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -51.6 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | R27 R31 Q32 Q33 | R27-S29 VanDerWaalsContact C-N 3.28Å; R27-S29 PolarHBondContact O-N 2.91Å; S29-R31 PolarHBondContact O-N 3.17Å; S29-Q32 PolarHBondContact O-N 3.48Å; S29-Q33 WeakPolarHBondContact O-CG 3.47Å; S29-Q33 PolarHBondContact O-N 3.38Å |
| 30 | D | 89.4 | Confident | 78.7 | Confident | 35 Ų | 35 | 100.4 Ų | 100.4 | 19% | 0.187 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -57.2 | -36.5 | 178.4 | -41.4 | -32.4 | 0 | 0 | 0 | 111.7 | M26 R27 L34 | M26-D30 HydrophobicContact CB-CB 4.41Å; M26-D30 HydrophobicContact CE-CB 3.49Å; M26-D30 VanDerWaalsContact CE-CB 3.49Å; M26-D30 WeakPolarHBondContact CE-O 3.38Å; R27-D30 VanDerWaalsContact CB-OD2 3.22Å; R27-D30 WeakPolarHBondContact CB-OD2 3.12Å; R27-D30 WeakPolarHBondContact CG-OD2 3.3Å; R27-D30 IonicContact CZ-OD1 3.58Å; R27-D30 IonicContact CZ-OD2 2.83Å; R27-D30 PolarHBondContact N-OD2 3.49Å; R27-D30 VanDerWaalsContact N-OD2 3.13Å; R27-D30 IonicContact NE-OD1 2.66Å; R27-D30 PolarHBondContact NE-OD1 3.42Å; R27-D30 IonicContact NE-OD2 3.35Å; R27-D30 PolarHBondContact NE-OD2 2.81Å; R27-D30 IonicContact NH2-OD1 2.65Å; R27-D30 PolarHBondContact NH2-OD1 3.46Å; R27-D30 IonicContact NH2-OD2 2.73Å; R27-D30 PolarHBondContact O-N 3.33Å; D30-L34 PolarHBondContact O-N 2.85Å; D30-L34 VanDerWaalsContact O-N 3.08Å |
| 31 | R | 89.3 | Confident | 79.7 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.7 | -42.8 | 175.4 | 177.5 | 174.4 | 171.4 | 174.7 | -7.4 | 112.3 | R27 A28 S29 Q33 L34 D35 | R27-R31 PolarHBondContact O-N 3.44Å; A28-R31 PolarHBondContact O-N 3.2Å; S29-R31 PolarHBondContact O-N 3.17Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 2.86Å; R31-L34 PolarHBondContact O-N 3.31Å; R31-D35 IonicContact NE-OD2 2.75Å; R31-D35 PolarHBondContact O-N 2.97Å |
| 32 | Q | 82.6 | Confident | 80.4 | Confident | 145 Ų | 145 | 94 Ų | 94 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64 | -36.3 | 176.4 | -174.3 | 175.2 | -2.5 | 0 | 0 | 111.3 | A28 S29 D35 A36 | A28-Q32 WeakPolarHBondContact O-CB 3.25Å; A28-Q32 PolarHBondContact O-N 2.89Å; S29-Q32 PolarHBondContact O-N 3.48Å; Q32-D35 PolarHBondContact O-N 2.86Å; Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 2.95Å |
| 33 | Q | 85.9 | Confident | 80.9 | Confident | 119 Ų | 119 | 96.3 Ų | 96.3 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -45.8 | 170.8 | -71.7 | 176.9 | -7.1 | 0 | 0 | 111.8 | S29 R31 A36 V37 | S29-Q33 WeakPolarHBondContact O-CG 3.47Å; S29-Q33 PolarHBondContact O-N 3.38Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 2.86Å; Q33-A36 PolarHBondContact O-N 2.63Å; Q33-V37 WeakPolarHBondContact O-CG2 3.22Å; Q33-V37 PolarHBondContact O-N 2.82Å |
| 34 | L | 84.9 | Confident | 81.1 | Confident | 66 Ų | 66 | 98.5 Ų | 98.5 | 35% | 0.346 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 173.1 | -86.5 | -174 | 0 | 0 | 0 | 112.2 | M26 D30 R31 A36 V37 H38 | M26-L34 HydrophobicContact CE-CD1 3.52Å; M26-L34 HydrophobicContact CE-CG 4Å; M26-L34 HydrophobicContact SD-CD1 3.77Å; D30-L34 PolarHBondContact O-N 2.85Å; D30-L34 VanDerWaalsContact O-N 3.08Å; R31-L34 PolarHBondContact O-N 3.31Å; L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3Å; L34-V37 PolarHBondContact O-N 3.17Å; L34-H38 WeakPolarHBondContact O-CB 3.32Å; L34-H38 PolarHBondContact O-CD2 3.48Å; L34-H38 PolarHBondContact O-N 3.31Å |
| 35 | D | 82.1 | Confident | 80.9 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 31% | 0.305 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.8 | -27.9 | -177.7 | -70.9 | -29.6 | 0 | 0 | 0 | 111.3 | R23 R31 Q32 R39 | R23-D35 IonicContact CZ-OD1 2.64Å; R23-D35 IonicContact NH1-OD1 2.63Å; R23-D35 PolarHBondContact NH1-OD1 3.25Å; R23-D35 IonicContact NH1-OD2 3.21Å; R23-D35 IonicContact NH2-OD1 2.82Å; R23-D35 PolarHBondContact NH2-OD1 3Å; R31-D35 IonicContact NE-OD2 2.75Å; R31-D35 PolarHBondContact O-N 2.97Å; Q32-D35 PolarHBondContact O-N 2.86Å; D35-R39 WeakPolarHBondContact O-CB 3.39Å; D35-R39 PolarHBondContact O-N 3.38Å |
| 36 | A | 84.8 | Confident | 80.1 | Confident | 47 Ų | 47 | 99.4 Ų | 99.4 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.3 | -45.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q32 Q33 L34 H38 R39 V40 | Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 2.95Å; Q33-A36 PolarHBondContact O-N 2.63Å; L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3Å; A36-H38 VanDerWaalsContact C-N 3.31Å; A36-H38 PolarHBondContact O-N 3.39Å; A36-R39 WeakPolarHBondContact O-CB 3.41Å; A36-R39 PolarHBondContact O-N 3.21Å; A36-R39 VanDerWaalsContact O-N 3.17Å; A36-V40 WeakPolarHBondContact O-CG2 3.46Å; A36-V40 PolarHBondContact O-N 3.24Å |
| 37 | V | 85.4 | Confident | 79.1 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 58% | 0.582 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -38.7 | 174.4 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | Q33 L34 K41 | Q33-V37 WeakPolarHBondContact O-CG2 3.22Å; Q33-V37 PolarHBondContact O-N 2.82Å; L34-V37 PolarHBondContact O-N 3.17Å; V37-K41 VanDerWaalsContact O-CB 3.26Å; V37-K41 WeakPolarHBondContact O-CB 3.23Å; V37-K41 PolarHBondContact O-N 3.08Å |
| 38 | H | 81.1 | Confident | 77.3 | Confident | 100 Ų | 100 | 95.3 Ų | 95.3 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 172.8 | -82.8 | -70.8 | 0 | 0 | 0 | 112.4 | R23 L34 A36 G42 | R23-H38 PolarHBondContact NH2-CD2 2.98Å; R23-H38 PolarHBondContact NH2-NE2 3.36Å; L34-H38 WeakPolarHBondContact O-CB 3.32Å; L34-H38 PolarHBondContact O-CD2 3.48Å; L34-H38 PolarHBondContact O-N 3.31Å; A36-H38 VanDerWaalsContact C-N 3.31Å; A36-H38 PolarHBondContact O-N 3.39Å; H38-G42 PolarHBondContact O-N 3.04Å |
| 39 | R | 84.1 | Confident | 75.8 | Confident | 156 Ų | 156 | 93.8 Ų | 93.8 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -53.9 | 171 | -92.8 | -166.1 | 59.1 | -137.5 | -15.8 | 112.1 | D35 A36 K41 G42 E43 | D35-R39 WeakPolarHBondContact O-CB 3.39Å; D35-R39 PolarHBondContact O-N 3.38Å; A36-R39 WeakPolarHBondContact O-CB 3.41Å; A36-R39 PolarHBondContact O-N 3.21Å; A36-R39 VanDerWaalsContact O-N 3.17Å; R39-K41 VanDerWaalsContact C-N 3.3Å; R39-K41 PolarHBondContact O-N 2.82Å; R39-G42 CarbonylContact O-C 3.52Å; R39-G42 WeakPolarHBondContact O-CA 3.34Å; R39-G42 PolarHBondContact O-N 2.87Å; R39-E43 IonicContact CZ-OE1 2.72Å; R39-E43 IonicContact NE-OE1 3.19Å; R39-E43 PolarHBondContact NE-OE1 3.33Å; R39-E43 IonicContact NH2-OE1 3.23Å; R39-E43 PolarHBondContact NH2-OE1 3.16Å; R39-E43 IonicContact NH2-OE2 3.61Å; R39-E43 PolarHBondContact NH2-OE2 3.46Å; R39-E43 WeakPolarHBondContact O-CB 3.48Å; R39-E43 WeakPolarHBondContact O-CG 3.32Å; R39-E43 PolarHBondContact O-N 3.36Å |
| 40 | V | 81.8 | Confident | 74.4 | Confident | 95 Ų | 95 | 98 Ų | 98 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.6 | -42.1 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | A36 E43 L44 | A36-V40 WeakPolarHBondContact O-CG2 3.46Å; A36-V40 PolarHBondContact O-N 3.24Å; V40-E43 PolarHBondContact O-N 3.38Å; V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 PolarHBondContact O-N 2.93Å |
| 41 | K | 78.7 | Confident | 72.2 | Confident | 132 Ų | 132 | 103.9 Ų | 103.9 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -40.3 | 173.3 | -178.2 | 173.2 | 179.3 | 174 | 0 | 112.6 | V37 R39 L45 | V37-K41 VanDerWaalsContact O-CB 3.26Å; V37-K41 WeakPolarHBondContact O-CB 3.23Å; V37-K41 PolarHBondContact O-N 3.08Å; R39-K41 VanDerWaalsContact C-N 3.3Å; R39-K41 PolarHBondContact O-N 2.82Å; K41-L45 HydrophobicContact CG-CD1 4.14Å; K41-L45 WeakPolarHBondContact O-CB 3.25Å; K41-L45 VanDerWaalsContact O-CG 3.27Å; K41-L45 WeakPolarHBondContact O-CG 3.38Å; K41-L45 PolarHBondContact O-N 2.94Å |
| 42 | G | 74.3 | Confident | 70.2 | Confident | 30 Ų | 30 | 105.9 Ų | 105.9 | 31% | 0.309 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67 | -37.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H38 R39 R46 | H38-G42 PolarHBondContact O-N 3.04Å; R39-G42 CarbonylContact O-C 3.52Å; R39-G42 WeakPolarHBondContact O-CA 3.34Å; R39-G42 PolarHBondContact O-N 2.87Å; G42-R46 VanDerWaalsContact O-CB 3.28Å; G42-R46 WeakPolarHBondContact O-CB 3.45Å; G42-R46 WeakPolarHBondContact O-CG 3.42Å; G42-R46 PolarHBondContact O-N 3.4Å |
| 43 | E | 71.4 | Confident | 68.2 | Low | 96 Ų | 96 | 105.5 Ų | 105.5 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.5 | -38.5 | 177.7 | -74.9 | 158.8 | -150.9 | 0 | 0 | 111.3 | R39 V40 R46 A47 | R39-E43 IonicContact CZ-OE1 2.72Å; R39-E43 IonicContact NE-OE1 3.19Å; R39-E43 PolarHBondContact NE-OE1 3.33Å; R39-E43 IonicContact NH2-OE1 3.23Å; R39-E43 PolarHBondContact NH2-OE1 3.16Å; R39-E43 IonicContact NH2-OE2 3.61Å; R39-E43 PolarHBondContact NH2-OE2 3.46Å; R39-E43 WeakPolarHBondContact O-CB 3.48Å; R39-E43 WeakPolarHBondContact O-CG 3.32Å; R39-E43 PolarHBondContact O-N 3.36Å; V40-E43 PolarHBondContact O-N 3.38Å; E43-R46 CarbonylContact O-C 3.44Å; E43-R46 PolarHBondContact O-N 2.87Å; E43-A47 PolarHBondContact O-N 3.45Å |
| 44 | L | 68.4 | Low | 66 | Low | 111 Ų | 111 | 103.5 Ų | 103.5 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.7 | -48.3 | 170.8 | -176.5 | 63.1 | 0 | 0 | 0 | 111.9 | V40 R46 A47 D48 | V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 PolarHBondContact O-N 2.93Å; L44-R46 PolarHBondContact O-N 3.35Å; L44-A47 WeakPolarHBondContact O-CA 3.49Å; L44-A47 WeakPolarHBondContact O-CB 3.42Å; L44-A47 PolarHBondContact O-N 2.85Å; L44-D48 PolarHBondContact O-N 3.46Å |
| 45 | L | 65.8 | Low | 63.9 | Low | 107 Ų | 107 | 106 Ų | 106 | 56% | 0.56 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.1 | -29.1 | 174.6 | -70.2 | 168 | 0 | 0 | 0 | 112.6 | K41 A47 G49 | K41-L45 HydrophobicContact CG-CD1 4.14Å; K41-L45 WeakPolarHBondContact O-CB 3.25Å; K41-L45 VanDerWaalsContact O-CG 3.27Å; K41-L45 WeakPolarHBondContact O-CG 3.38Å; K41-L45 PolarHBondContact O-N 2.94Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-G49 PolarHBondContact O-N 3.11Å; L45-G49 VanDerWaalsContact O-N 3.13Å |
| 46 | R | 60.9 | Low | 61.8 | Low | 189 Ų | 189 | 112.2 Ų | 112.2 | 71% | 0.713 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.8 | -9.7 | 170.8 | -76 | -73.4 | -168.5 | -166.9 | 1.7 | 113.7 | G42 E43 L44 K50 | G42-R46 VanDerWaalsContact O-CB 3.28Å; G42-R46 WeakPolarHBondContact O-CB 3.45Å; G42-R46 WeakPolarHBondContact O-CG 3.42Å; G42-R46 PolarHBondContact O-N 3.4Å; E43-R46 CarbonylContact O-C 3.44Å; E43-R46 PolarHBondContact O-N 2.87Å; L44-R46 PolarHBondContact O-N 3.35Å; R46-K50 WeakPolarHBondContact O-CD 3.45Å; R46-K50 WeakPolarHBondContact O-CE 3.14Å; R46-K50 WeakPolarHBondContact O-CG 3.38Å |
| 47 | A | 58.3 | Low | 59.9 | Low | 51 Ų | 51 | 116.8 Ų | 116.8 | 42% | 0.421 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -91.6 | -50.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E43 L44 L45 G49 K50 | E43-A47 PolarHBondContact O-N 3.45Å; L44-A47 WeakPolarHBondContact O-CA 3.49Å; L44-A47 WeakPolarHBondContact O-CB 3.42Å; L44-A47 PolarHBondContact O-N 2.85Å; L45-A47 VanDerWaalsContact C-N 3.31Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 2.99Å; A47-K50 WeakPolarHBondContact O-CB 3.33Å; A47-K50 PolarHBondContact O-N 3.04Å |
| 48 | D | 48.2 | Very low | 57.6 | Low | 103 Ų | 103 | 119.1 Ų | 119.1 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.1 | -45.9 | 172.9 | -83.3 | -30.1 | 0 | 0 | 0 | 111.3 | L44 K50 L51 | L44-D48 PolarHBondContact O-N 3.46Å; D48-K50 PolarHBondContact O-N 2.7Å; D48-L51 PolarHBondContact O-N 3.46Å; D48-L51 VanDerWaalsContact O-N 3.16Å |
| 49 | G | 49.3 | Very low | 55.5 | Low | 53 Ų | 53 | 118.3 Ų | 118.3 | 55% | 0.546 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.5 | 4.3 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | L45 A47 | L45-G49 PolarHBondContact O-N 3.11Å; L45-G49 VanDerWaalsContact O-N 3.13Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 2.99Å |
| 50 | K | 55.4 | Low | 53.2 | Low | 152 Ų | 152 | 117.9 Ų | 117.9 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -110.9 | -12.5 | 174.5 | -69.6 | 172.4 | -175.5 | 169.2 | 0 | 113.9 | R46 A47 D48 | R46-K50 WeakPolarHBondContact O-CD 3.45Å; R46-K50 WeakPolarHBondContact O-CE 3.14Å; R46-K50 WeakPolarHBondContact O-CG 3.38Å; A47-K50 WeakPolarHBondContact O-CB 3.33Å; A47-K50 PolarHBondContact O-N 3.04Å; D48-K50 PolarHBondContact O-N 2.7Å |
| 51 | L | 44.4 | Very low | 50.9 | Low | 160 Ų | 160 | 120.9 Ų | 120.9 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -86.9 | -10.8 | 174.3 | -62.6 | -179.1 | 0 | 0 | 0 | 112.8 | D48 | D48-L51 PolarHBondContact O-N 3.46Å; D48-L51 VanDerWaalsContact O-N 3.16Å |
| 52 | L | 46.4 | Very low | 49.1 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -114.3 | 61.8 | 173.8 | -167.1 | 71.7 | 0 | 0 | 0 | 111.4 | | |
| 53 | N | 40.9 | Very low | 47.5 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | trans | -133.4 | 59.4 | 173.8 | -158.2 | 81.8 | 0 | 0 | 0 | 111.6 | S55 | N53-S55 PolarHBondContact O-N 3.46Š|
| 54 | G | 39.9 | Very low | 45.6 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | | | trans | -65.2 | 126.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | H56 | G54-H56 PolarHBondContact O-N 3.36Š|
| 55 | S | 40.5 | Very low | 44 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | | | trans | -69.7 | 124.9 | -175.9 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | N53 | N53-S55 PolarHBondContact O-N 3.46Š|
| 56 | H | 37.6 | Very low | 43 | Very low | 187 Ų | 187 | 125.5 Ų | 125.5 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | | | trans | -119.8 | 144.5 | 142.1 | -156.8 | -78.7 | 0 | 0 | 0 | 109.9 | G54 | G54-H56 PolarHBondContact O-N 3.36Š|
| 57 | E | 45.6 | Very low | 41.5 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | | | trans | -93 | 150.9 | -174 | 172 | -175.3 | 140 | 0 | 0 | 110.9 | | |
| 58 | N | 37 | Very low | 40.1 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | | | trans | 45.6 | 118 | 161.6 | -62.9 | -28 | 0 | 0 | 0 | 119.2 | | |
| 59 | G | 36.9 | Very low | 39.1 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | | | trans | 175.9 | 36.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 60 | D | 34.7 | Very low | 38.3 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -77.3 | 122.7 | 170.4 | 172.3 | 33.6 | 0 | 0 | 0 | 110.9 | | |
| 61 | L | 34.8 | Very low | 37.1 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | -170.2 | 109.3 | 145.8 | -87.6 | -159.5 | 0 | 0 | 0 | 110.9 | | |
| 62 | D | 40.9 | Very low | 36.3 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | -159.2 | 115.9 | 138.3 | -172.9 | 6.9 | 0 | 0 | 0 | 111.5 | T64 | D62-T64 PolarHBondContact OD1-N 3.21Å; D62-T64 VanDerWaalsContact OD1-N 3.15Å |
| 63 | P | 40.3 | Very low | 35.7 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | | | trans | -132.7 | 86.8 | 154.8 | 35.4 | -19.8 | 0 | 0 | 0 | 113.8 | | |
| 64 | T | 31.1 | Very low | 35.3 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | | | | 60.3 | 107.9 | 129.4 | 60.8 | 0 | 0 | 0 | 0 | 121.2 | D62 | D62-T64 PolarHBondContact OD1-N 3.21Å; D62-T64 VanDerWaalsContact OD1-N 3.15Å |
| 65 | S | 34.9 | Very low | 34.7 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | trans | 67.3 | -173.1 | 132.5 | -43 | 0 | 0 | 0 | 0 | 117 | | |
| 66 | P | 45.2 | Very low | 34.6 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | cis | -129.1 | -167.3 | -14.2 | 35.1 | -13.7 | 0 | 0 | 0 | 113.9 | | |
| 67 | L | 28.9 | Very low | 34.4 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | 71.3 | 156.7 | 163.3 | -54.4 | 170.5 | 0 | 0 | 0 | 116.4 | | |
| 68 | E | 28.9 | Very low | 34 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | cis | -148.4 | 149.3 | -4.2 | -135.5 | -173 | 107.9 | 0 | 0 | 114.8 | | |
| 69 | N | 27.6 | Very low | 33.9 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | | | trans | 28.3 | 137.2 | 141.7 | -73.9 | -25.7 | 0 | 0 | 0 | 124.3 | | |
| 70 | T | 31.7 | Very low | 33.7 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | | | trans | 62.8 | 151.7 | 139.6 | 58.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 71 | D | 31.4 | Very low | 33.5 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | cis | -161.4 | 173.8 | -4.3 | -117.7 | -40.2 | 0 | 0 | 0 | 105.2 | | |
| 72 | C | 28 | Very low | 33.2 | Very low | 85 Ų | 85 | 137 Ų | 137 | 57% | 0.574 | 75% | 0.75 | S | S | * | * | | | cis | -165 | 156.3 | 17.8 | -133.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 73 | I | 32.8 | Very low | 32.7 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | | | trans | 39.8 | 127.8 | 131 | -62.2 | 177.1 | 0 | 0 | 0 | 118.2 | | |
| 74 | Q | 33.1 | Very low | 32.3 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | cis | -153.7 | 163 | 47 | -156.1 | 145.1 | 14.9 | 0 | 0 | 116.8 | | |
| 75 | D | 27.6 | Very low | 32.4 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -54.6 | 152.3 | -175.3 | -46.1 | -88.4 | 0 | 0 | 0 | 118.2 | | |
| 76 | R | 37.3 | Very low | 31.9 | Very low | 211 Ų | 211 | 139.1 Ų | 139.1 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | | -154.7 | 101.6 | 120.4 | -112.4 | -178.5 | -173.3 | -69.1 | -7.7 | 113.3 | | |
| 77 | E | 33.9 | Very low | 31.1 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | 36 | 88.1 | 134.1 | -56.5 | 170.6 | 120.3 | 0 | 0 | 118.7 | | |
| 78 | E | 36.7 | Very low | 31.1 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | | | trans | -128.2 | 146 | 146.5 | -72.7 | -164 | 151.2 | 0 | 0 | 109.8 | | |
| 79 | V | 35.4 | Very low | 31 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | -114.6 | 137.6 | -174.7 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 80 | N | 32.1 | Very low | 31 | Very low | 161 Ų | 161 | 145 Ų | 145 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -49 | 139.1 | -175.1 | -62.3 | -1.3 | 0 | 0 | 0 | 114.5 | | |
| 81 | G | 30.4 | Very low | 31.3 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | -164.1 | 63 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 82 | I | 30.1 | Very low | 31.2 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -73.3 | 139.7 | 177.9 | 51.1 | 156.1 | 0 | 0 | 0 | 111.5 | | |
| 83 | D | 29.9 | Very low | 31.1 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | trans | -151.6 | 127.4 | 145.4 | -122.2 | -35.1 | 0 | 0 | 0 | 109 | | |
| 84 | G | 31 | Very low | 30.9 | Very low | 66 Ų | 66 | 147.8 Ų | 147.8 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | | | trans | -177.5 | 56.7 | -155.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 85 | I | 32.8 | Very low | 30.6 | Very low | 155 Ų | 155 | 147 Ų | 147 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | | | trans | 57.8 | 76.4 | 158.4 | -42.3 | 172.2 | 0 | 0 | 0 | 114.5 | F87 | I85-F87 HydrophobicContact CG2-CD2 4.18Å; I85-F87 HydrophobicContact CG2-CE2 4.15Å |
| 86 | C | 24.3 | Very low | 30.7 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -104.6 | 118.9 | 157.4 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 87 | F | 30.3 | Very low | 30.2 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -80.5 | 116 | 172.1 | -91.6 | -92.8 | 0 | 0 | 0 | 110.5 | I85 | I85-F87 HydrophobicContact CG2-CD2 4.18Å; I85-F87 HydrophobicContact CG2-CE2 4.15Å |
| 88 | Q | 27.5 | Very low | 30.1 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | | | trans | -141.3 | 134.2 | 146.5 | -75.2 | -164.4 | 58.3 | 0 | 0 | 109 | | |
| 89 | S | 27.7 | Very low | 29.8 | Very low | 111 Ų | 111 | 149 Ų | 149 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -157.6 | 159.5 | 133.8 | -119 | 0 | 0 | 0 | 0 | 110.8 | | |
| 90 | E | 27.4 | Very low | 29.6 | Very low | 156 Ų | 156 | 148 Ų | 148 | 73% | 0.729 | 81% | 0.805 | S | S | * | * | | | trans | -75.1 | 149.9 | -168.3 | 44.9 | -93.6 | 73.1 | 0 | 0 | 116.1 | | |
| 91 | E | 37.6 | Very low | 29.4 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | 10.9 | 117.3 | 141.6 | -168 | 176.1 | 145.8 | 0 | 0 | 119.1 | | |
| 92 | S | 28.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -146.2 | 151.7 | 152.5 | 64.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 93 | T | 25.7 | Very low | 29.4 | Very low | 114 Ų | 114 | 148 Ų | 148 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | -88.6 | 151.7 | -166.5 | 49.1 | 0 | 0 | 0 | 0 | 115 | | |
| 94 | T | 29.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | 52.6 | 114.8 | 146.6 | 55.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 95 | E | 26.5 | Very low | 29.2 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | | -165.3 | 135.8 | 106.2 | -172.8 | 172.6 | 161.8 | 0 | 0 | 108.9 | | |
| 96 | W | 29.7 | Very low | 28.8 | Very low | 246 Ų | 246 | 147.2 Ų | 147.2 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | -128.8 | 100.8 | 172.9 | 24.6 | -54.8 | 0 | 0 | 0 | 109.5 | | |
| 97 | K | 27.2 | Very low | 29.1 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -110.5 | 98.5 | -174 | -167.6 | 174.2 | -170.3 | 167.6 | 0 | 110.2 | | |
| 98 | E | 31.9 | Very low | 29.1 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -75.6 | 126.1 | -176.7 | -175.2 | 175.5 | -153.4 | 0 | 0 | 111.6 | | |
| 99 | T | 30.6 | Very low | 29.1 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -155.2 | 126.6 | 164.3 | -56.5 | 0 | 0 | 0 | 0 | 109 | | |
| 100 | P | 31.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -84.3 | 155.8 | -174.1 | 33.8 | -36.1 | 0 | 0 | 0 | 112.9 | | |
| 101 | C | 27.7 | Very low | 29.2 | Very low | 123 Ų | 123 | 150.5 Ų | 150.5 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -129.7 | 132.9 | 170.8 | -167.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 102 | M | 27.4 | Very low | 28.8 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 80% | 0.803 | 80% | 0.796 | S | S | * | * | | | trans | -85.1 | 140.9 | 177.3 | -62.8 | -94.2 | 78.6 | 0 | 0 | 110.7 | | |
| 103 | P | 33.5 | Very low | 28.9 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -78.9 | 121 | 167.2 | 31.8 | -30.7 | 0 | 0 | 0 | 109.9 | | |
| 104 | N | 25.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -118.8 | 116.7 | 175.5 | -158.9 | -11.8 | 0 | 0 | 0 | 109.5 | | |
| 105 | V | 29.2 | Very low | 29.4 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | -96.2 | 101 | -169 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | V107 | V105-V107 HydrophobicContact CG1-CG2 4.18Š|
| 106 | A | 26.2 | Very low | 29.5 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | -92.3 | 98 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 107 | V | 28.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | trans | -87 | 122.3 | 167.6 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | V105 | V105-V107 HydrophobicContact CG1-CG2 4.18Š|
| 108 | K | 30.4 | Very low | 29.4 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -113.9 | 96 | -177.6 | 178.8 | -172.9 | 175 | -176.9 | 0 | 109.9 | | |
| 109 | N | 28.4 | Very low | 29.2 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -94.6 | 135.4 | 172.9 | -84 | -2.8 | 0 | 0 | 0 | 111.9 | | |
| 110 | K | 31.6 | Very low | 29.3 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -153 | 124.8 | 157.7 | -83.2 | -155.1 | 172.3 | -157.7 | 0 | 108.5 | | |
| 111 | Q | 26.3 | Very low | 29.6 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 161.5 | 129.2 | 135.1 | -166.7 | 63 | 30.5 | 0 | 0 | 108.1 | | |
| 112 | E | 28.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -92 | 148 | 174 | -59.9 | 128 | 131 | 0 | 0 | 111 | | |
| 113 | D | 30.2 | Very low | 29.8 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | | -172 | 152.2 | 121.6 | -121 | -31.6 | 0 | 0 | 0 | 116.1 | | |
| 114 | L | 36.4 | Very low | 29.6 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | | | trans | 45 | 95.8 | 157.4 | -52.4 | -174.6 | 0 | 0 | 0 | 123.5 | | |
| 115 | N | 29.5 | Very low | 29.6 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | | 47.7 | 131.7 | 114.3 | -69.2 | -44.1 | 0 | 0 | 0 | 124.3 | | |
| 116 | S | 29.2 | Very low | 29.4 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | 114.9 | 148.1 | 133.6 | -67.2 | 0 | 0 | 0 | 0 | 121 | | |
| 117 | E | 25.4 | Very low | 29.6 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | 69.2 | 155.4 | 174.9 | -130.5 | 78.3 | 145.1 | 0 | 0 | 118 | | |
| 118 | A | 28.6 | Very low | 29.5 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -138.4 | -169.5 | -156.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 119 | L | 27.1 | Very low | 29.4 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | | | trans | 82 | 89.2 | 170.7 | -51.4 | 177.2 | 0 | 0 | 0 | 117.1 | | |
| 120 | S | 32.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 130.7 | 149.5 | -50.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 121 | P | 37.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 134.9 | 164.2 | 31 | -31.5 | 0 | 0 | 0 | 110.3 | | |
| 122 | S | 26.7 | Very low | 29.7 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -79 | 172.1 | 165.6 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 123 | I | 33.9 | Very low | 29.8 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | | 178.5 | 101.4 | 127.8 | -85.4 | 148.2 | 0 | 0 | 0 | 103.6 | | |
| 124 | T | 28.3 | Very low | 29.8 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | | 64.2 | 157.8 | 72 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 125 | C | 26.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | cis | -153.3 | 157.2 | 17.8 | -148.6 | 0 | 0 | 0 | 0 | 113 | | |
| 126 | D | 24.8 | Very low | 29.9 | Very low | 136 Ų | 136 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -104.9 | -178.8 | 159.7 | -157.7 | -29.5 | 0 | 0 | 0 | 108.6 | | |
| 127 | L | 30.1 | Very low | 30 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | | | trans | 80.2 | 119.1 | 167.6 | -44.6 | 177.8 | 0 | 0 | 0 | 118 | | |
| 128 | S | 26.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | | 145.4 | 130.1 | 91 | -166.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 129 | S | 29.1 | Very low | 30.3 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | 177.1 | 143.6 | 144.5 | 47 | 0 | 0 | 0 | 0 | 110.8 | | |
| 130 | R | 36.9 | Very low | 30.8 | Very low | 212 Ų | 212 | 122.6 Ų | 122.6 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | cis | -173.9 | 155.7 | -20.6 | -131 | 179.5 | 137.5 | -105.7 | -5.4 | 107.5 | | |
| 131 | V | 29.9 | Very low | 30.6 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 60% | 0.6 | 76% | 0.763 | S | S | * | * | | | cis | -112.8 | -111.9 | 4.5 | -158.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 132 | T | 26 | Very low | 30.2 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | cis | -152.5 | 162.4 | -2.4 | -46.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 133 | T | 29.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | trans | -77 | 157.1 | 177.7 | 44.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 134 | E | 31.1 | Very low | 30.2 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | cis | -157.9 | -173.1 | 10.8 | -115.4 | -82.4 | 87.8 | 0 | 0 | 109.2 | | |
| 135 | P | 41.1 | Very low | 31 | Very low | 110 Ų | 110 | 124 Ų | 124 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | | | | -115.1 | 173.7 | -128.5 | 43.2 | -28.7 | 0 | 0 | 0 | 116.3 | | |
| 136 | G | 25.8 | Very low | 31 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | trans | -178.9 | 67.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 137 | S | 31.2 | Very low | 31.3 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | 35.2 | 97.6 | 151.2 | -175.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 138 | G | 27.8 | Very low | 31.4 | Very low | 81 Ų | 81 | 118.1 Ų | 118.1 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | | 72.9 | 117.3 | 121.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 139 | S | 31.7 | Very low | 31.6 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -144.1 | 138.8 | 161.7 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 140 | P | 38.3 | Very low | 32.3 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -93.3 | 162.1 | 169.4 | 36.5 | -32 | 0 | 0 | 0 | 112.9 | | |
| 141 | A | 28.3 | Very low | 31.8 | Very low | 92 Ų | 92 | 116.1 Ų | 116.1 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -75 | -177.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 142 | S | 31.1 | Very low | 32.2 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | | | cis | -165.9 | -179.7 | 25.2 | -154.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 143 | D | 30.5 | Very low | 32.5 | Very low | 156 Ų | 156 | 118.4 Ų | 118.4 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | 83.8 | 147 | 150 | -54.8 | -28 | 0 | 0 | 0 | 120.8 | | |
| 144 | N | 29.3 | Very low | 32.7 | Very low | 158 Ų | 158 | 119.7 Ų | 119.7 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -131.1 | 135.9 | -172.1 | -163.7 | 19 | 0 | 0 | 0 | 108 | | |
| 145 | P | 44.4 | Very low | 33.1 | Very low | 126 Ų | 126 | 118 Ų | 118 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -97.5 | 170.2 | -158 | 37.5 | -36.4 | 0 | 0 | 0 | 115.8 | | |
| 146 | G | 27.7 | Very low | 32.7 | Very low | 78 Ų | 78 | 117.2 Ų | 117.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -142.5 | 87.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 147 | C | 31.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 119 Ų | 119 | 91% | 0.912 | 81% | 0.805 | S | S | * | * | | | trans | 30.1 | 126 | 147.8 | -164.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 148 | G | 31.1 | Very low | 33.2 | Very low | 67 Ų | 67 | 121 Ų | 121 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | trans | 100.5 | 151.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 149 | T | 30.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 124 Ų | 124 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | cis | -156.3 | 146.8 | -5.4 | -52.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 150 | P | 43.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -106.1 | 168.1 | -166.2 | 40 | -36.7 | 0 | 0 | 0 | 116.8 | | |
| 151 | V | 27.5 | Very low | 33.7 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | -152.4 | 143.5 | 161.5 | 127.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 152 | S | 37.3 | Very low | 33.9 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | 12.4 | 144.6 | 162.4 | -49 | 0 | 0 | 0 | 0 | 124.6 | | |
| 153 | D | 31.9 | Very low | 33.9 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | | -158.5 | 170 | 122.2 | -130.8 | -30.7 | 0 | 0 | 0 | 115 | | |
| 154 | N | 35.2 | Very low | 34.2 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -112.6 | 161.8 | 179.7 | -80 | -61.5 | 0 | 0 | 0 | 113.7 | | |
| 155 | P | 40.2 | Very low | 34.7 | Very low | 132 Ų | 132 | 125 Ų | 125 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -140.6 | -178.1 | 138.6 | 35.8 | -19.8 | 0 | 0 | 0 | 114.6 | | |
| 156 | A | 32.2 | Very low | 34 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -142.4 | 167.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 157 | S | 36.7 | Very low | 34.3 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 59.9 | 129.1 | 158.6 | -61.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 158 | D | 31.4 | Very low | 34.3 | Very low | 165 Ų | 165 | 126 Ų | 126 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | | -164.5 | 173.3 | 103.2 | -124.7 | -32.2 | 0 | 0 | 0 | 114.1 | | |
| 159 | N | 34.3 | Very low | 34.4 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | -130.8 | 149.6 | -178.3 | -110.9 | -59.2 | 0 | 0 | 0 | 111.3 | | |
| 160 | P | 38.9 | Very low | 35.8 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | | -153.9 | -166.4 | 96.7 | 40.1 | -20.2 | 0 | 0 | 0 | 115.3 | | |
| 161 | A | 33.6 | Very low | 35.1 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -135.2 | -173.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 162 | S | 33.3 | Very low | 35.6 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | 75 | 147.8 | -177.3 | -94.4 | 0 | 0 | 0 | 0 | 116 | | |
| 163 | D | 31.4 | Very low | 35.3 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | cis | -143.4 | 172.6 | 8.4 | -99.6 | -35.7 | 0 | 0 | 0 | 113.8 | | |
| 164 | N | 35.8 | Very low | 35.2 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -86.1 | 159.4 | 173.4 | -75.6 | -87.5 | 0 | 0 | 0 | 113.2 | | |
| 165 | P | 40.1 | Very low | 35.1 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | | | | -133.8 | -176.5 | 113.6 | 38.3 | -29.2 | 0 | 0 | 0 | 113.9 | | |
| 166 | A | 30.8 | Very low | 34.6 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | -135.8 | 171.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 167 | S | 33.6 | Very low | 34.6 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | 68.6 | 151.5 | 172.6 | -59.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 168 | D | 30.5 | Very low | 34.3 | Very low | 162 Ų | 162 | 124.2 Ų | 124.2 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | cis | -138.7 | -173 | 32.7 | -95.9 | -50.7 | 0 | 0 | 0 | 115 | | |
| 169 | N | 33 | Very low | 34.3 | Very low | 160 Ų | 160 | 125 Ų | 125 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -119.2 | 178.3 | -174.8 | -123 | 2.8 | 0 | 0 | 0 | 112.5 | | |
| 170 | P | 60.5 | Low | 34.1 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | | | trans | -106.8 | 167.6 | -149.7 | 41.4 | -40.9 | 0 | 0 | 0 | 118.3 | | |
| 171 | D | 29.5 | Very low | 33.7 | Very low | 165 Ų | 165 | 122.6 Ų | 122.6 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | -168.7 | 163.9 | 165 | -150.1 | 54.5 | 0 | 0 | 0 | 108.6 | | |
| 172 | S | 37.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | cis | -170.9 | 174.2 | -41.1 | -175 | 0 | 0 | 0 | 0 | 111 | | |
| 173 | G | 30.2 | Very low | 33.5 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | | | trans | 121.5 | 128.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 174 | D | 30 | Very low | 33.5 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | cis | 75.7 | 135.1 | 20.6 | -138.9 | 20.8 | 0 | 0 | 0 | 113.5 | | |
| 175 | L | 32.8 | Very low | 33.2 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | cis | -149 | 154.7 | 32.8 | -78.6 | 152.9 | 0 | 0 | 0 | 115.2 | | |
| 176 | A | 30.8 | Very low | 32.6 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | 64.3 | 161.5 | 143.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 177 | A | 31.9 | Very low | 32.7 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | | | cis | -169.8 | 166.9 | -24.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 178 | G | 29.8 | Very low | 32.4 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | 136.3 | 114.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 179 | E | 31.2 | Very low | 32.3 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | | 58.6 | 121.5 | 83.9 | -86.1 | -155.7 | 125.3 | 0 | 0 | 114.1 | | |
| 180 | L | 31 | Very low | 32.2 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | cis | -155 | 172.1 | 7.2 | -79.4 | 170.7 | 0 | 0 | 0 | 109.4 | | |
| 181 | A | 31.2 | Very low | 30.7 | Very low | 72 Ų | 72 | 119 Ų | 119 | 60% | 0.595 | 77% | 0.769 | S | S | * | * | | | cis | -178.2 | 178.8 | -31.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 182 | T | 30.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 81.1 | 137.6 | 157 | 19.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 183 | T | 30.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | 61.1 | 92.4 | 153.8 | 45.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 184 | V | 32.2 | Very low | 30 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | | | | 77.3 | 123.7 | 72.9 | 173.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 185 | Q | 29.6 | Very low | 30.7 | Very low | 187 Ų | 187 | 121.4 Ų | 121.4 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | 66.3 | 163.6 | 167.6 | -76.1 | 170.2 | 77 | 0 | 0 | 117.3 | | |
| 186 | A | 28.7 | Very low | 31.1 | Very low | 72 Ų | 72 | 119.5 Ų | 119.5 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | | | cis | -176.5 | 158.1 | -37.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 187 | T | 31.3 | Very low | 31.1 | Very low | 148 Ų | 148 | 120 Ų | 120 | 91% | 0.908 | 76% | 0.756 | S | S | * | * | | | trans | 23.7 | 110.4 | 155.5 | 54.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 188 | G | 28.8 | Very low | 31 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | | | trans | -157.3 | 145.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 189 | D | 27.8 | Very low | 31.1 | Very low | 147 Ų | 147 | 124 Ų | 124 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | -137.6 | 157.5 | -179.8 | 171.1 | 64.4 | 0 | 0 | 0 | 109.6 | | |
| 190 | S | 31.4 | Very low | 31.6 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | trans | 65 | 153.7 | 173.7 | -67.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 191 | A | 28.8 | Very low | 31.5 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | cis | -169.9 | 175.6 | -19.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 192 | C | 27 | Very low | 31.6 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | 71.8 | 149 | 160.9 | -66.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 193 | E | 26.1 | Very low | 31.7 | Very low | 168 Ų | 168 | 120.1 Ų | 120.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | cis | -158.4 | 178 | -7.3 | -91.1 | -92.8 | 118.5 | 0 | 0 | 110.6 | | |
| 194 | E | 27.8 | Very low | 31.7 | Very low | 151 Ų | 151 | 122 Ų | 122 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -48.8 | -179.6 | 177.7 | -92.9 | -155.3 | 98.3 | 0 | 0 | 120.4 | | |
| 195 | P | 44.8 | Very low | 32 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | cis | -141.7 | -139.4 | -42.3 | 43.7 | -23.4 | 0 | 0 | 0 | 110.9 | | |
| 196 | P | 42.7 | Very low | 32 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | cis | -126.5 | 171.9 | -39.8 | 39.1 | -24.4 | 0 | 0 | 0 | 115 | | |
| 197 | S | 30 | Very low | 32.2 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | | 154.7 | 133.3 | 128 | 56.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 198 | S | 30.1 | Very low | 32.2 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 54.6 | 116.9 | 150.5 | 55.3 | 0 | 0 | 0 | 0 | 124.5 | | |
| 199 | D | 32.5 | Very low | 32.2 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | 6.7 | 164.7 | 136 | -58.8 | -78.9 | 0 | 0 | 0 | 122.9 | | |
| 200 | P | 40 | Very low | 32.6 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | cis | -140.3 | 174 | 14.1 | 43.8 | -26.8 | 0 | 0 | 0 | 118.5 | | |
| 201 | S | 29.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | 56.3 | 151.8 | 154.8 | -127.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 202 | S | 33.9 | Very low | 32.7 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | -144.8 | 179 | 21.2 | -169.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 203 | S | 31.7 | Very low | 33 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | -115.1 | 134.5 | -167 | 57.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 204 | D | 31.2 | Very low | 33.2 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -98.5 | 132.1 | 162.3 | -80.5 | -52.3 | 0 | 0 | 0 | 111.5 | | |
| 205 | P | 38.1 | Very low | 33.5 | Very low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -87.4 | 126.4 | 170.3 | 33.1 | -30.5 | 0 | 0 | 0 | 111.6 | | |
| 206 | T | 29.2 | Very low | 32.6 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | | | trans | -111.1 | 138.6 | 161.4 | 45.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 207 | S | 33.5 | Very low | 32.1 | Very low | 129 Ų | 129 | 129 Ų | 129 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | -127.3 | 142.9 | 177.2 | -168.3 | 0 | 0 | 0 | 0 | 110 | | |
| 208 | S | 32.2 | Very low | 32.2 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -108.5 | 150.1 | -166.4 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 209 | E | 28.8 | Very low | 32.6 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133 | 176.7 | -65.6 | 172.2 | 85.8 | 0 | 0 | 113.6 | | |
| 210 | P | 35.5 | Very low | 32.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87 | 125.8 | 161.2 | 33 | -29.9 | 0 | 0 | 0 | 110.9 | | |
| 211 | S | 30 | Very low | 32.3 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 130.2 | 169.2 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 212 | S | 33 | Very low | 32.4 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | | | trans | -118.9 | 139.1 | 172.2 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 213 | S | 32.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | | | trans | -106.8 | 141.7 | -173.8 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 214 | E | 30.3 | Very low | 32.3 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 124.8 | 179.9 | -175.5 | 179.9 | 164.9 | 0 | 0 | 113.5 | | |
| 215 | P | 35.1 | Very low | 32.6 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 125.4 | 170.6 | 34.1 | -31.3 | 0 | 0 | 0 | 111.4 | | |
| 216 | T | 25.6 | Very low | 32 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 133.1 | 173.9 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 217 | C | 32.6 | Very low | 32.1 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 89% | 0.892 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 142.8 | 175.3 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 218 | S | 32 | Very low | 31.9 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | trans | -154.1 | 135.8 | 168.6 | -69.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 219 | E | 37.6 | Very low | 31.7 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 138.4 | 179.4 | -67.2 | 171.8 | 102.2 | 0 | 0 | 111.7 | | |
| 220 | P | 36.3 | Very low | 31.6 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 131.4 | 162.4 | 33 | -29.9 | 0 | 0 | 0 | 111.1 | | |
| 221 | I | 29.7 | Very low | 31.1 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 128 | 168.8 | 37.1 | 171.7 | 0 | 0 | 0 | 109.4 | | |
| 222 | S | 32.7 | Very low | 31.2 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 92% | 0.923 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 146.1 | 179.7 | -177 | 0 | 0 | 0 | 0 | 112.4 | | |
| 223 | G | 30.3 | Very low | 31.1 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -156.7 | 142.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 224 | D | 32.8 | Very low | 30.9 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | -85.7 | 130.5 | -159.8 | -167.2 | 23.2 | 0 | 0 | 0 | 114.2 | | |
| 225 | P | 36.2 | Very low | 30.8 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | -103.2 | 151.3 | 175.1 | 37.3 | -30.9 | 0 | 0 | 0 | 114.3 | | |
| 226 | V | 27 | Very low | 30.4 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | | | trans | -104.2 | 150.2 | -174.4 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 227 | S | 30.7 | Very low | 30.5 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -84.6 | 156.3 | -176.4 | -178.8 | 0 | 0 | 0 | 0 | 115 | | |
| 228 | E | 28.7 | Very low | 30.2 | Very low | 197 Ų | 197 | 125.4 Ų | 125.4 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | | | trans | -159.1 | 168.3 | 151.6 | -116.2 | 166.6 | -139.5 | 0 | 0 | 112.2 | | |
| 229 | E | 27.7 | Very low | 30 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | -82.2 | 160.2 | -163.2 | -55.4 | -175.5 | 93.3 | 0 | 0 | 117.7 | | |
| 230 | A | 26.6 | Very low | 29.5 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | -174.8 | 159.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L504 | A230-L504 HydrophobicContact CB-CD1 4.28Š|
| 231 | A | 25.3 | Very low | 28.9 | Very low | 52 Ų | 52 | 122.6 Ų | 122.6 | 43% | 0.43 | 75% | 0.75 | S | S | . | * | | | trans | -168.4 | -143.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L503 L504 | A231-L503 VanDerWaalsContact CB-CA 3.44Å; A231-L503 HydrophobicContact CB-CB 4.11Å; A231-L503 HydrophobicContact CB-CD2 3.84Å; A231-L503 HydrophobicContact CB-CG 4.18Å; A231-L504 HydrophobicContact CB-CB 4.05Å; A231-L504 HydrophobicContact CB-CD1 4.35Å; A231-L504 HydrophobicContact CB-CG 3.77Å |
| 232 | S | 33.3 | Very low | 28.7 | Very low | 44 Ų | 44 | 120.4 Ų | 120.4 | 31% | 0.308 | 75% | 0.749 | S | S | . | * | | | trans | 159 | 74.5 | -173.2 | -83.9 | 0 | 0 | 0 | 0 | 124.5 | L503 L504 | S232-L503 PolarHBondContact OG-O 3.29Å; S232-L504 VanDerWaalsContact OG-CA 3.31Å; S232-L504 WeakPolarHBondContact OG-CA 3.43Å; S232-L504 WeakPolarHBondContact OG-CB 3.38Å |
| 233 | H | 30.2 | Very low | 28.4 | Very low | 125 Ų | 125 | 119 Ų | 119 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | | | trans | 62.4 | 145.6 | 168.3 | -47.5 | -68.2 | 0 | 0 | 0 | 119.6 | L503 | H233-L503 VanDerWaalsContact N-CB 3.34Å; H233-L503 PolarHBondContact N-O 2.92Å; H233-L503 WeakPolarHBondContact O-CD1 3.33Å |
| 234 | D | 28.3 | Very low | 28.2 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | | | cis | 91.5 | 115.6 | 23.8 | -167.1 | 31.4 | 0 | 0 | 0 | 117.8 | | |
| 235 | L | 28.7 | Very low | 28.3 | Very low | 172 Ų | 172 | 122.9 Ų | 122.9 | 90% | 0.901 | 74% | 0.743 | S | S | * | * | | | trans | -157.5 | 138.2 | 167.1 | -85.4 | -172.3 | 0 | 0 | 0 | 113.6 | | |
| 236 | V | 26.3 | Very low | 27.7 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -94.9 | 165.3 | 173.1 | 77.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 237 | S | 28.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | | | cis | -158.3 | 159.1 | 23 | -169 | 0 | 0 | 0 | 0 | 111.8 | | |
| 238 | G | 26.1 | Very low | 27.6 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | | | trans | -172.4 | 118.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 239 | D | 28 | Very low | 27.5 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | trans | -96.7 | 140.4 | -174 | 172.1 | -91 | 0 | 0 | 0 | 113.2 | | |
| 240 | S | 26 | Very low | 27.5 | Very low | 109 Ų | 109 | 116.3 Ų | 116.3 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | | | | 168.5 | 163.1 | 127.8 | -96.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 241 | T | 23.7 | Very low | 27.4 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | -117.3 | 143.1 | -154.2 | 57.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 242 | C | 24.9 | Very low | 27.6 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | trans | 176.6 | 147.7 | 136.6 | -98.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 243 | S | 27.8 | Very low | 27.6 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | cis | -168.8 | 121.4 | -12.3 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 244 | E | 25.2 | Very low | 27.6 | Very low | 198 Ų | 198 | 128.4 Ų | 128.4 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | trans | 50.6 | 156.3 | 169.2 | -72.7 | -167.9 | 77.8 | 0 | 0 | 121.7 | | |
| 245 | P | 35.2 | Very low | 28 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | trans | -130 | -141.7 | -158.7 | 40.6 | -19.2 | 0 | 0 | 0 | 114 | | |
| 246 | V | 24.4 | Very low | 28.2 | Very low | 140 Ų | 140 | 119.5 Ų | 119.5 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | | | trans | 81.2 | 132.2 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 114 | | |
| 247 | S | 29.4 | Very low | 28.4 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | cis | -162.5 | 156.5 | -11.2 | -179.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 248 | G | 24.8 | Very low | 28.5 | Very low | 65 Ų | 65 | 115.8 Ų | 115.8 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | | | | 65.7 | 127.6 | 54.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 249 | E | 26.9 | Very low | 28.7 | Very low | 166 Ų | 166 | 120.1 Ų | 120.1 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | | | cis | -168.4 | 159.6 | 3.6 | -178.8 | -174.8 | 125 | 0 | 0 | 107.9 | V251 | E249-V251 WeakPolarHBondContact OE1-CG2 3.5Š|
| 250 | P | 28.5 | Very low | 29.3 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | | | trans | -120.8 | 140.2 | 166.3 | 37.2 | -25.8 | 0 | 0 | 0 | 114.9 | | |
| 251 | V | 24.2 | Very low | 29.4 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | | | trans | -131.5 | 156.3 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | E249 | E249-V251 WeakPolarHBondContact OE1-CG2 3.5Š|
| 252 | S | 30.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | | | trans | -42.3 | 175.6 | 177.8 | -43.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 253 | H | 31.6 | Very low | 29.8 | Very low | 177 Ų | 177 | 117.6 Ų | 117.6 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | | | | -173.4 | -174.4 | 50.4 | 43.2 | -87.8 | 0 | 0 | 0 | 116.4 | | |
| 254 | E | 30.2 | Very low | 29.7 | Very low | 173 Ų | 173 | 121 Ų | 121 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | | | trans | -47.6 | -177.2 | -177.9 | -74.6 | -175.3 | 88.6 | 0 | 0 | 121.2 | | |
| 255 | A | 36.7 | Very low | 30.7 | Very low | 46 Ų | 46 | 116.4 Ų | 116.4 | 38% | 0.38 | 71% | 0.713 | S | S | . | * | | | cis | 171.7 | 138.6 | -40 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q526 E527 | A255-Q526 WeakPolarHBondContact O-CA 3.43Å; A255-E527 PolarHBondContact O-N 3.28Å |
| 256 | A | 33.5 | Very low | 30.4 | Very low | 68 Ų | 68 | 115.4 Ų | 115.4 | 56% | 0.562 | 71% | 0.714 | S | S | * | * | | | trans | 65.2 | 142.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 126.8 | Q526 | A256-Q526 WeakPolarHBondContact O-CG 3.22Å; A256-Q526 PolarHBondContact O-NE2 3.42Å |
| 257 | S | 30.8 | Very low | 30.6 | Very low | 66 Ų | 66 | 113.9 Ų | 113.9 | 46% | 0.462 | 71% | 0.709 | S | S | . | * | | | trans | -167.4 | -163.5 | 151 | -144 | 0 | 0 | 0 | 0 | 109.9 | Q526 E527 | S257-Q526 PolarHBondContact OG-NE2 3.01Å; S257-E527 WeakPolarHBondContact CB-OE1 3.33Å; S257-E527 WeakPolarHBondContact CB-OE2 3.45Å; S257-E527 PolarHBondContact N-OE1 2.93Å |
| 258 | S | 30.2 | Very low | 30.6 | Very low | 104 Ų | 104 | 116.8 Ų | 116.8 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | | | cis | -155.1 | -163.2 | 2.6 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 259 | E | 29.5 | Very low | 30.7 | Very low | 167 Ų | 167 | 122.1 Ų | 122.1 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | | | trans | -155.1 | -179.2 | -176.7 | -124 | -150.3 | 102.2 | 0 | 0 | 110.7 | A261 | E259-A261 PolarHBondContact OE1-N 3.31Š|
| 260 | P | 40.8 | Very low | 32 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | | | cis | -151.4 | 163.8 | 29 | 43.3 | -20.9 | 0 | 0 | 0 | 123 | | |
| 261 | A | 28.8 | Very low | 32.1 | Very low | 72 Ų | 72 | 119.5 Ų | 119.5 | 60% | 0.595 | 72% | 0.718 | S | S | * | * | | | trans | 67.9 | 155 | 137 | 0 | 0 | 0 | 0 | 0 | 128 | E259 | E259-A261 PolarHBondContact OE1-N 3.31Š|
| 262 | T | 27.5 | Very low | 32.3 | Very low | 140 Ų | 140 | 118.1 Ų | 118.1 | 86% | 0.859 | 72% | 0.719 | S | S | * | * | | | trans | 93.1 | 150.5 | 166.7 | 71.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 263 | S | 29.2 | Very low | 32.2 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | | | cis | -157.1 | -141.9 | -12.4 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 264 | E | 25.8 | Very low | 31.9 | Very low | 175 Ų | 175 | 122.1 Ų | 122.1 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -158.6 | -173.7 | -162.8 | -128.7 | -150.2 | 111.6 | 0 | 0 | 111.3 | | |
| 265 | P | 46.4 | Very low | 31.9 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | | | cis | -140.2 | -161 | -2.4 | 44.9 | -24.6 | 0 | 0 | 0 | 116.9 | | |
| 266 | A | 28 | Very low | 31.5 | Very low | 88 Ų | 88 | 122.6 Ų | 122.6 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | 76.1 | 160.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 267 | S | 29.4 | Very low | 31.2 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | -171.9 | 170.3 | -21.2 | -91.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 268 | D | 29.7 | Very low | 31.1 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | 85.3 | 153.8 | 153.3 | -85.1 | -62.5 | 0 | 0 | 0 | 125.3 | | |
| 269 | E | 26.3 | Very low | 30.9 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -123.5 | -161.7 | -173.8 | -134.5 | -162.5 | 125.8 | 0 | 0 | 109.6 | | |
| 270 | P | 55.7 | Low | 30.9 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | | | cis | -137.9 | -159.5 | -22.4 | 28.6 | -2.8 | 0 | 0 | 0 | 115.2 | | |
| 271 | V | 29.5 | Very low | 30.2 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | 106.2 | 153.4 | 152.2 | -169.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 272 | A | 28.8 | Very low | 31.3 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -145 | 176.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 273 | R | 27.7 | Very low | 31.3 | Very low | 239 Ų | 239 | 127.1 Ų | 127.1 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | 134.5 | 144.8 | 167.9 | -80.5 | 175.7 | 174.9 | -134.7 | -2.4 | 110.5 | | |
| 274 | V | 25.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | cis | 102.2 | 135.6 | 24.9 | 167.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 275 | V | 30 | Very low | 31.8 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | 65.1 | 160.4 | 178.2 | -66.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 276 | A | 27.4 | Very low | 31.2 | Very low | 88 Ų | 88 | 126.5 Ų | 126.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | -178.3 | 165.3 | -38 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 277 | A | 27.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | trans | 77.7 | 117.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 278 | C | 30.2 | Very low | 31.6 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | | 84.6 | 158.3 | 122.3 | -65.7 | 0 | 0 | 0 | 0 | 125.2 | | |
| 279 | E | 26 | Very low | 31.8 | Very low | 173 Ų | 173 | 130.1 Ų | 130.1 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | 72.9 | 144.9 | 168.2 | -61.6 | -165.6 | 95.3 | 0 | 0 | 117.9 | | |
| 280 | L | 28.8 | Very low | 32.2 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | cis | -156 | 177.1 | -2.8 | -121.3 | 173.8 | 0 | 0 | 0 | 111.4 | | |
| 281 | A | 26.4 | Very low | 31 | Very low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | | | trans | -97 | -169.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 282 | P | 50.5 | Low | 31.8 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | | | cis | -137.6 | -171.2 | -2.5 | 43.9 | -25.1 | 0 | 0 | 0 | 116 | | |
| 283 | G | 27.8 | Very low | 32.2 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -171 | 157.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 284 | E | 33.5 | Very low | 32.4 | Very low | 186 Ų | 186 | 120 Ų | 120 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -148.5 | 168.6 | -167.3 | -149.8 | -160.4 | 121.1 | 0 | 0 | 114.2 | | |
| 285 | S | 33.2 | Very low | 32.6 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 72.3 | 137.7 | 170.9 | -51.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 286 | A | 32.7 | Very low | 32.7 | Very low | 93 Ų | 93 | 119 Ų | 119 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | cis | 113.1 | 126.9 | 7.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 287 | L | 36 | Very low | 32.9 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | 170 | 124.2 | 163.1 | -91.3 | 157.4 | 0 | 0 | 0 | 106.7 | | |
| 288 | D | 31.1 | Very low | 32.9 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | | 63.2 | 140.3 | 84.8 | -78.2 | -96.8 | 0 | 0 | 0 | 115.7 | | |
| 289 | D | 33.6 | Very low | 33.1 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | cis | -167.6 | -177.5 | -27.3 | -170.4 | -106.5 | 0 | 0 | 0 | 108.3 | | |
| 290 | C | 33.6 | Very low | 33.8 | Very low | 114 Ų | 114 | 126 Ų | 126 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 75.3 | 131.2 | 167.3 | -75.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 291 | A | 32.2 | Very low | 34.7 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -86.2 | 172.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 292 | P | 45.5 | Very low | 35.7 | Very low | 111 Ų | 111 | 125 Ų | 125 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | | -149.2 | 177.1 | 54.5 | 42.7 | -23.4 | 0 | 0 | 0 | 117.6 | | |
| 293 | S | 36.6 | Very low | 34.6 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | trans | 68.4 | 142.5 | 159.3 | 71 | 0 | 0 | 0 | 0 | 118.7 | | |
| 294 | G | 32.6 | Very low | 34.8 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | 150 | 131.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 295 | D | 30.8 | Very low | 34.6 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | -83.3 | 148.5 | -171.5 | -129.5 | -64.4 | 0 | 0 | 0 | 113.7 | | |
| 296 | S | 30.5 | Very low | 34.6 | Very low | 90 Ų | 90 | 126 Ų | 126 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | trans | 48 | 127.1 | 143.9 | -69.9 | 0 | 0 | 0 | 0 | 123.7 | | |
| 297 | Q | 31.5 | Very low | 34.4 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | | | trans | 78.2 | 117.4 | 142.2 | -67.2 | 176.7 | -5.4 | 0 | 0 | 120.9 | | |
| 298 | S | 28.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | 69.2 | 144.4 | 141.4 | -79.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 299 | D | 33.4 | Very low | 34.5 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | cis | -138.3 | 173.3 | 6.1 | -94.6 | -42.5 | 0 | 0 | 0 | 113.5 | | |
| 300 | E | 42.1 | Very low | 34.2 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -63.4 | 138.9 | 178 | -157.5 | -171.6 | 107 | 0 | 0 | 113.2 | | |
| 301 | P | 47.4 | Very low | 33.9 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | | -149.7 | -166.1 | 110.8 | 44.1 | -27.8 | 0 | 0 | 0 | 111.2 | | |
| 302 | P | 46.4 | Very low | 33.5 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -137 | 178.4 | -1.7 | 45.1 | -28.6 | 0 | 0 | 0 | 116.9 | | |
| 303 | S | 28.4 | Very low | 32.6 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | trans | -2.2 | 143.7 | 151.2 | 63.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 304 | S | 31 | Very low | 32.3 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | | 162.5 | 156.3 | 103.3 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 305 | E | 30.5 | Very low | 32.2 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | -86.3 | 138.8 | -171.9 | 53.5 | -96.5 | 53.5 | 0 | 0 | 117.1 | | |
| 306 | D | 31.9 | Very low | 32.3 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | 13.9 | 110.4 | 145.9 | -163.7 | 0.5 | 0 | 0 | 0 | 120.2 | | |
| 307 | S | 29.1 | Very low | 32.3 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | | -166.3 | 113.9 | 129.6 | -86.2 | 0 | 0 | 0 | 0 | 114 | | |
| 308 | L | 33.5 | Very low | 32.3 | Very low | 154 Ų | 154 | 128 Ų | 128 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | | | trans | 18.3 | 139.6 | 142.4 | -52.2 | 178.7 | 0 | 0 | 0 | 119.4 | | |
| 309 | P | 35.4 | Very low | 32.5 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | cis | -154.4 | -172.6 | 44.2 | 44.6 | -24.6 | 0 | 0 | 0 | 117.2 | | |
| 310 | R | 27.9 | Very low | 32.5 | Very low | 235 Ų | 235 | 127.9 Ų | 127.9 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | 67.8 | 122.6 | 159.7 | -75.9 | 178.6 | 175.7 | 141.2 | 0.4 | 116.7 | | |
| 311 | S | 26.5 | Very low | 32 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | | | | 84.5 | 70 | 62.1 | -176.7 | 0 | 0 | 0 | 0 | 115 | | |
| 312 | V | 24 | Very low | 31.1 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | 63.8 | 146.1 | 140.5 | -57.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 313 | C | 26.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | 72.6 | 141.1 | 158 | -66.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 314 | S | 31.5 | Very low | 31 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | cis | -177.5 | 155.6 | -4.9 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 315 | G | 29.3 | Very low | 30.8 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | 105.5 | 148 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 316 | L | 32.7 | Very low | 30.5 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | | | cis | -154.5 | 156.7 | -4.4 | -73.4 | 175.5 | 0 | 0 | 0 | 107.1 | | |
| 317 | A | 30.8 | Very low | 30.1 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | | | cis | -165.6 | -177.5 | -20.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 318 | S | 32.6 | Very low | 29.9 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | cis | -153.8 | 172 | 14.5 | -71.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 319 | G | 32.5 | Very low | 29.7 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | 159.6 | 157.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 320 | E | 33.2 | Very low | 30.5 | Very low | 183 Ų | 183 | 128 Ų | 128 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | 64.6 | 136.3 | 170.3 | -75.7 | -173.4 | 55.8 | 0 | 0 | 118.4 | | |
| 321 | L | 30.5 | Very low | 30.3 | Very low | 146 Ų | 146 | 120.4 Ų | 120.4 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | cis | -133.7 | 163.8 | -1.9 | -104.4 | 174 | 0 | 0 | 0 | 112.2 | | |
| 322 | T | 29.5 | Very low | 30.4 | Very low | 123 Ų | 123 | 122 Ų | 122 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -118.4 | -175 | -168.8 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 323 | P | 42.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | | -136.8 | 171.1 | -52.6 | 37.4 | -22.5 | 0 | 0 | 0 | 114.1 | | |
| 324 | G | 29 | Very low | 30.6 | Very low | 74 Ų | 74 | 122.8 Ų | 122.8 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | | | trans | 69.7 | -177.3 | 140.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 325 | E | 26.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 123.4 Ų | 123.4 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | cis | -154.8 | 162.5 | -11.4 | -143 | -173.9 | 68.7 | 0 | 0 | 112.5 | | |
| 326 | L | 25.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | | | trans | 12.6 | 117.5 | 155.1 | -77.5 | 169.1 | 0 | 0 | 0 | 121.2 | | |
| 327 | S | 23.2 | Very low | 31.1 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | | 81.2 | 170.9 | 111.7 | -157.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 328 | V | 25.2 | Very low | 31.1 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | 79.9 | 138.4 | 165.7 | -159 | 0 | 0 | 0 | 0 | 118.2 | | |
| 329 | E | 29 | Very low | 31 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | | | trans | -43.2 | 179.5 | 155.1 | -78.6 | -151.9 | 129.4 | 0 | 0 | 115.9 | | |
| 330 | P | 50.8 | Low | 30.8 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | cis | -135.6 | -167 | 7.6 | 23.9 | 2.8 | 0 | 0 | 0 | 115.3 | | |
| 331 | A | 25.1 | Very low | 30.5 | Very low | 77 Ų | 77 | 123 Ų | 123 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | 105.6 | 102.9 | 134.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 332 | T | 27.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | | 59.3 | 117.6 | 127.1 | 62.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 333 | D | 26.8 | Very low | 29.9 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | | 100.9 | 151.8 | 127.7 | -128.6 | -47.6 | 0 | 0 | 0 | 122.2 | | |
| 334 | T | 27.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | 89.6 | 86 | 144.3 | -70.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 335 | V | 29.7 | Very low | 28.9 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | | | trans | 65.3 | 109.9 | 145.3 | -112.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 336 | K | 30.2 | Very low | 29.1 | Very low | 190 Ų | 190 | 121.3 Ų | 121.3 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | | 3 | 160.4 | 111.4 | -103.2 | -161.2 | 174.4 | 179.2 | 0 | 119 | | |
| 337 | P | 45.1 | Very low | 29.9 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | | | cis | -148 | 167.3 | 27 | 40.1 | -19.1 | 0 | 0 | 0 | 120.6 | | |
| 338 | S | 29.2 | Very low | 30.2 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | 67 | 151.9 | 141.5 | 52.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 339 | S | 31.2 | Very low | 31.4 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | cis | -165.5 | 164.5 | -24.1 | -165.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 340 | S | 28.4 | Very low | 31.3 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -47.5 | 155.7 | 172.3 | 58.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 341 | A | 26.5 | Very low | 30.5 | Very low | 85 Ų | 85 | 125.4 Ų | 125.4 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | | | | 173.7 | 172.8 | 110.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 342 | V | 23.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | 71.1 | 119.6 | 165.7 | -165.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 343 | C | 24.7 | Very low | 31 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | cis | 90.8 | 144.1 | 39.8 | -62.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 344 | E | 24.6 | Very low | 32 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | 65.7 | 170.6 | 172.3 | -63.7 | -161.5 | 124.3 | 0 | 0 | 117.8 | | |
| 345 | A | 26.5 | Very low | 32.1 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | cis | -171 | 124 | -47.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 346 | G | 30.1 | Very low | 32.2 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | 64.3 | -163.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 347 | P | 43.5 | Very low | 32.3 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | | | cis | -124.6 | -156.5 | -1.9 | 43.1 | -27.8 | 0 | 0 | 0 | 113.1 | | |
| 348 | D | 29.2 | Very low | 31.7 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | trans | -60.2 | 164.6 | 173.6 | -90.1 | -66.2 | 0 | 0 | 0 | 115.6 | | |
| 349 | P | 50.3 | Low | 32 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -79 | 156.8 | -174.3 | 32.8 | -36.9 | 0 | 0 | 0 | 115 | | |
| 350 | D | 26.9 | Very low | 32.2 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | | | trans | -101.9 | -179.1 | -177.9 | -155.1 | -1.9 | 0 | 0 | 0 | 113.4 | | |
| 351 | K | 32.5 | Very low | 32.4 | Very low | 180 Ų | 180 | 128.1 Ų | 128.1 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -102.8 | 160.4 | -163 | -66.4 | -174.5 | 178.4 | -176.5 | 0 | 116 | | |
| 352 | T | 31.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | 9.8 | 150.5 | 137.6 | -29.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 353 | E | 32.3 | Very low | 34 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | 97.7 | 159.3 | 159.4 | -60.2 | -150.3 | 136.9 | 0 | 0 | 117.4 | | |
| 354 | P | 49.1 | Very low | 34.3 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | | -143.2 | 179.9 | -51.4 | 41.2 | -25.5 | 0 | 0 | 0 | 116 | | |
| 355 | S | 29.1 | Very low | 34.9 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | trans | 72.3 | 108.6 | 139.6 | 72.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 356 | S | 32.6 | Very low | 35.1 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | | | | 93.4 | 145.6 | 105 | 81 | 0 | 0 | 0 | 0 | 123.8 | | |
| 357 | N | 31 | Very low | 35.3 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | | | trans | 84.8 | 104.2 | 149.7 | -59.6 | -27.8 | 0 | 0 | 0 | 121.9 | | |
| 358 | N | 32.6 | Very low | 34.9 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | | 48.9 | 121.9 | 122.8 | -44.1 | -17.9 | 0 | 0 | 0 | 120.6 | | |
| 359 | S | 35 | Very low | 35.2 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | | -172.5 | 171 | 93.5 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 360 | D | 36 | Very low | 34.5 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | trans | -47.9 | 171.9 | 172.8 | -45.9 | -96 | 0 | 0 | 0 | 115.1 | | |
| 361 | D | 33.3 | Very low | 34.8 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | | | cis | -156 | 175.5 | 25.8 | -151.1 | -38.5 | 0 | 0 | 0 | 112.7 | | |
| 362 | C | 36 | Very low | 34.9 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | trans | -97.4 | -148.4 | 173.3 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 363 | P | 47.8 | Very low | 35 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | | | cis | -114.6 | -163.7 | -7.9 | 42.7 | -26.2 | 0 | 0 | 0 | 111.9 | | |
| 364 | G | 30.3 | Very low | 35 | Very low | 65 Ų | 65 | 129.5 Ų | 129.5 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | | | cis | 130 | 139.7 | -11 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 365 | K | 36.9 | Very low | 34.1 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | | | trans | 78.6 | 128.1 | 165.2 | -54.6 | -171.7 | 172.3 | -154.5 | 0 | 122.1 | | |
| 366 | S | 31 | Very low | 34.4 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | | 163.6 | 117.6 | 113.4 | 61.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 367 | E | 35 | Very low | 34.3 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | | | | 97.8 | 134 | 52.5 | -74.7 | 159 | 147.7 | 0 | 0 | 112.4 | | |
| 368 | D | 35.3 | Very low | 34.6 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | | | trans | 69.9 | 153.1 | 156.8 | -54.6 | -14 | 0 | 0 | 0 | 122.1 | | |
| 369 | D | 34.5 | Very low | 34.4 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | | | cis | -169.1 | 177.7 | -28.1 | -165.8 | 10.9 | 0 | 0 | 0 | 110.6 | | |
| 370 | E | 35.7 | Very low | 34.1 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | trans | 74.8 | 119 | 157.8 | -58.8 | -162.8 | -130.4 | 0 | 0 | 122.7 | | |
| 371 | H | 34.4 | Very low | 33.8 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | | 150.8 | 141.9 | 107.3 | -163.6 | -85.3 | 0 | 0 | 0 | 115.9 | | |
| 372 | L | 32.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | trans | -42.3 | 154.2 | 177.4 | -61.6 | 149.5 | 0 | 0 | 0 | 116.5 | | |
| 373 | D | 34.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | | | | -167 | 144.8 | 59 | -115 | -29.4 | 0 | 0 | 0 | 114.7 | | |
| 374 | Q | 31.9 | Very low | 32.5 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | | | | 68.1 | 131.5 | 110.5 | -111.2 | 170.4 | 100.6 | 0 | 0 | 117.2 | | |
| 375 | I | 32 | Very low | 32.7 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | cis | -145.4 | 156.1 | 27.7 | -70.3 | 167.8 | 0 | 0 | 0 | 113.5 | | |
| 376 | Q | 34.1 | Very low | 32.9 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | | | trans | -32 | 149.7 | 166.8 | -57.7 | 157.1 | 17 | 0 | 0 | 118.4 | | |
| 377 | S | 30.4 | Very low | 33 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | | -170.8 | 134.1 | 78.1 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 378 | K | 36.8 | Very low | 32.8 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | | 62.2 | 134.7 | 82.7 | -78.4 | -176.2 | 138.7 | -70.6 | 0 | 114.8 | | |
| 379 | D | 29.1 | Very low | 32.7 | Very low | 115 Ų | 115 | 134 Ų | 134 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | | | cis | -152.8 | 151.8 | 11 | -100.5 | -41.6 | 0 | 0 | 0 | 114.6 | | |
| 380 | S | 29.6 | Very low | 32.4 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | 37.6 | 128.9 | 147.2 | 67.1 | 0 | 0 | 0 | 0 | 125.2 | | |
| 381 | C | 29.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | | | | 175.4 | 121.7 | 108.7 | -89.2 | 0 | 0 | 0 | 0 | 110 | | |
| 382 | D | 27.5 | Very low | 32.6 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | | | | 77.3 | 100.2 | 81.6 | -150.9 | 64.5 | 0 | 0 | 0 | 111 | | |
| 383 | E | 30.9 | Very low | 32.7 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | | 114.9 | 117.8 | 57.8 | 174.7 | 72.9 | -165.6 | 0 | 0 | 107.4 | | |
| 384 | G | 31.6 | Very low | 33.1 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | trans | 172.7 | 60.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 385 | N | 34.8 | Very low | 33.2 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | -8.2 | 147.4 | 142 | -96.7 | -48.9 | 0 | 0 | 0 | 118.5 | | |
| 386 | K | 39.5 | Very low | 32.9 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | | | cis | -179.3 | 157.7 | 9.9 | -154.6 | 179.5 | -177.3 | 175.4 | 0 | 113.5 | | |
| 387 | V | 33.7 | Very low | 32.7 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | | | trans | 81.5 | 127.4 | 141.7 | 115.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 388 | N | 31.2 | Very low | 32.7 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | 26.9 | 146.4 | 155.6 | 76.2 | 24.7 | 0 | 0 | 0 | 122.1 | | |
| 389 | S | 32.8 | Very low | 32.2 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | cis | -167.3 | -177.7 | 40 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 390 | N | 28.6 | Very low | 32.7 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | -29.5 | 147.8 | 175.9 | -40.1 | -20.7 | 0 | 0 | 0 | 115.9 | | |
| 391 | V | 31.5 | Very low | 33 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | | | cis | -136.3 | 162.5 | 32.7 | 156.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 392 | V | 41.6 | Very low | 33.1 | Very low | 128 Ų | 128 | 138 Ų | 138 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | -66.8 | 130.3 | 170.9 | 170 | 0 | 0 | 0 | 0 | 111.6 | | |
| 393 | E | 35.7 | Very low | 33.3 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | trans | -128.6 | 175 | 133.2 | -71 | -147.6 | 105.1 | 0 | 0 | 109.3 | | |
| 394 | K | 42.6 | Very low | 33.6 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 81% | 0.809 | 75% | 0.75 | S | S | * | * | | | trans | -70.6 | -179 | 155.3 | -52.8 | 172.6 | -177.8 | 170.3 | 0 | 107.2 | | |
| 395 | E | 33.5 | Very low | 33.6 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | cis | -128.9 | -144.1 | 19.7 | -64.5 | 179.7 | 136.8 | 0 | 0 | 108 | | |
| 396 | E | 25.8 | Very low | 33.2 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 61% | 0.607 | 76% | 0.756 | S | S | * | * | | | cis | -168.1 | 149.6 | 14.3 | -177 | -171.3 | -159 | 0 | 0 | 106.9 | | |
| 397 | P | 31 | Very low | 32.6 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -100.2 | 63.1 | 169.4 | 38.7 | -32 | 0 | 0 | 0 | 112.4 | | |
| 398 | L | 29.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 70.9 | 151.9 | 179.8 | -43.9 | 171.2 | 0 | 0 | 0 | 113.5 | | |
| 399 | E | 27.1 | Very low | 32.5 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 56% | 0.561 | 76% | 0.763 | S | S | * | * | | | cis | -150.2 | 95.6 | 17.6 | -169.9 | 59.6 | -95.6 | 0 | 0 | 113.4 | | |
| 400 | T | 39.5 | Very low | 33.1 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 61% | 0.607 | 76% | 0.763 | S | S | * | * | | | trans | 39.2 | 98 | 147.3 | 60.1 | 0 | 0 | 0 | 0 | 121 | | |
| 401 | H | 34.8 | Very low | 34.2 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | | -164.9 | 144.3 | 125.6 | 43.8 | -74.9 | 0 | 0 | 0 | 115.5 | | |
| 402 | S | 32.4 | Very low | 33.9 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | -34.2 | 128.7 | 174.1 | 49.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 403 | A | 30.8 | Very low | 33.4 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | | | | 83.3 | 122.4 | 52.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 404 | I | 37.9 | Very low | 33.3 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 91% | 0.913 | 74% | 0.741 | S | S | * | * | | | trans | -173.1 | 159.8 | 137.3 | -96.3 | 156.5 | 0 | 0 | 0 | 109.6 | | |
| 405 | I | 31.5 | Very low | 32.8 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | -126.4 | 134.3 | -153.7 | -80.4 | 172.5 | 0 | 0 | 0 | 113.6 | | |
| 406 | C | 26.6 | Very low | 32.8 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | 54.6 | 174.6 | 160.6 | -60.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 407 | S | 27.6 | Very low | 33 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | cis | -157.1 | 148.4 | 1 | -157.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 408 | D | 29 | Very low | 33 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | | | | 171.4 | 155.6 | 107.6 | -94.9 | -13.4 | 0 | 0 | 0 | 116.3 | | |
| 409 | L | 32.2 | Very low | 33 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | | | trans | -129.5 | 176.9 | 174.9 | -88.2 | 167.9 | 0 | 0 | 0 | 106.8 | | |
| 410 | P | 45.3 | Very low | 33.3 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | cis | -125.7 | -125 | -24.6 | 30.3 | -5.4 | 0 | 0 | 0 | 107.2 | | |
| 411 | P | 51.7 | Low | 33.5 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 57% | 0.571 | 76% | 0.76 | S | S | * | * | | | cis | -133.4 | 170 | -32.2 | 35.1 | -16.3 | 0 | 0 | 0 | 116.3 | | |
| 412 | E | 27 | Very low | 33.2 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | trans | 62.5 | 154.5 | 144 | -71.7 | 169.9 | 123.3 | 0 | 0 | 119.3 | | |
| 413 | N | 30.3 | Very low | 33.1 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | | | cis | -151.4 | 168 | 22 | 56.3 | 40.5 | 0 | 0 | 0 | 115.8 | | |
| 414 | T | 32.7 | Very low | 33.1 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | 38.5 | 96.1 | 145.5 | 48.4 | 0 | 0 | 0 | 0 | 123.7 | | |
| 415 | T | 32.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | | 14.1 | 126.2 | 116.1 | 68.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 416 | K | 33.3 | Very low | 33.2 | Very low | 178 Ų | 178 | 132 Ų | 132 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | | 166.2 | 126.9 | 105.9 | -95 | 149.8 | -172.2 | 171.2 | 0 | 116.7 | | |
| 417 | I | 30.7 | Very low | 33.6 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | | 40.2 | 117.6 | 125.3 | -52.9 | 174.6 | 0 | 0 | 0 | 119.1 | | |
| 418 | A | 30.5 | Very low | 33.8 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | | -173.2 | 128.9 | 116.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 419 | E | 30.1 | Very low | 34.1 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | 51.9 | 108 | 138.7 | -63.5 | 172 | -173.6 | 0 | 0 | 122.3 | | |
| 420 | D | 33.1 | Very low | 34.2 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -66 | 152 | 151.5 | 174.4 | 46.1 | 0 | 0 | 0 | 110.7 | | |
| 421 | P | 43.8 | Very low | 33.7 | Very low | 104 Ų | 104 | 142 Ų | 142 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | | -155.9 | 151.8 | 103 | 43.6 | -25.3 | 0 | 0 | 0 | 118.5 | | |
| 422 | I | 28.5 | Very low | 32.7 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | trans | 72.7 | 114 | 155.4 | -26.5 | -171.8 | 0 | 0 | 0 | 119.7 | | |
| 423 | A | 30.1 | Very low | 32.8 | Very low | 93 Ų | 93 | 143 Ų | 143 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | | -179.7 | 159.2 | 122.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 424 | E | 31.8 | Very low | 32.9 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -72.6 | 162.8 | 162 | -63.4 | 178.3 | 121.3 | 0 | 0 | 110.4 | | |
| 425 | P | 40.7 | Very low | 33 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | | -135.3 | 159.3 | 108.8 | 38.1 | -30.6 | 0 | 0 | 0 | 114.1 | | |
| 426 | A | 29.9 | Very low | 32.9 | Very low | 83 Ų | 83 | 143.9 Ų | 143.9 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | | | trans | -118.7 | 140.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 427 | L | 34.5 | Very low | 33.1 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | | | trans | 41.3 | 113.4 | 155 | -52.9 | 177.5 | 0 | 0 | 0 | 118.7 | | |
| 428 | E | 32.3 | Very low | 33.3 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | | -155.2 | 148.3 | 115.2 | -119.2 | 167 | 176.2 | 0 | 0 | 111.1 | | |
| 429 | E | 34.7 | Very low | 33.4 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -110 | 136.9 | 166.5 | -65.8 | -179.2 | 112.9 | 0 | 0 | 107.1 | | |
| 430 | E | 35.8 | Very low | 33.8 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | | 173.8 | 178.3 | 128.7 | -99 | -172.7 | -174 | 0 | 0 | 111.9 | | |
| 431 | A | 34.4 | Very low | 33.6 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | 63.4 | 90.1 | 171 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 432 | I | 29.4 | Very low | 33.2 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | | | trans | -110.7 | 112 | 150.4 | 42.3 | 164.9 | 0 | 0 | 0 | 110.5 | | |
| 433 | S | 30.6 | Very low | 33.5 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -158.1 | 124.3 | 157.9 | -166.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 434 | S | 31 | Very low | 33.5 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | 47.7 | 135.4 | 141.1 | -144.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 435 | S | 36.2 | Very low | 33.5 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | cis | -166.4 | 179.7 | -8.9 | -97.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 436 | M | 30.8 | Very low | 33 | Very low | 166 Ų | 166 | 146 Ų | 146 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -0.3 | 141.1 | 156.3 | -49.6 | 178.5 | 63.1 | 0 | 0 | 118.1 | | |
| 437 | E | 36.6 | Very low | 33.3 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | | -157.1 | -169.1 | 56.4 | -85.7 | -164.2 | 96.2 | 0 | 0 | 113.9 | | |
| 438 | V | 34.3 | Very low | 33 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -150.9 | 155.7 | -171.1 | 88.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 439 | D | 33 | Very low | 34 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | | | cis | -155 | 170.7 | 13.5 | -169.2 | 16.6 | 0 | 0 | 0 | 111 | | |
| 440 | Q | 37.5 | Very low | 33.8 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | 68.5 | 153.7 | 157.7 | -88.3 | 168 | 83.4 | 0 | 0 | 118 | | |
| 441 | S | 30.8 | Very low | 33.3 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | | | cis | -152 | 172.9 | 4 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 442 | E | 34.6 | Very low | 34.1 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | 23.9 | 140.4 | 148.1 | -60.8 | -160.4 | 110 | 0 | 0 | 121.3 | | |
| 443 | K | 34.2 | Very low | 34 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | | | cis | -161.5 | 171.1 | 27 | -139.4 | 179.2 | -164.8 | 75.2 | 0 | 112.7 | | |
| 444 | D | 30.6 | Very low | 33.8 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | -80.1 | 168.7 | 177.4 | -157.2 | -8.6 | 0 | 0 | 0 | 113.5 | | |
| 445 | E | 30.9 | Very low | 33.8 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | trans | 62.5 | 134.4 | 172 | -77.4 | -154.1 | 96.2 | 0 | 0 | 117.5 | | |
| 446 | H | 30.2 | Very low | 33.6 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | | | cis | -147.1 | 175.6 | 35 | -79.6 | -65.3 | 0 | 0 | 0 | 114.6 | | |
| 447 | K | 37.9 | Very low | 33.6 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | | | trans | -93.6 | 126.5 | -173 | 173.9 | 171.6 | -179.2 | 170.8 | 0 | 114 | | |
| 448 | S | 27.6 | Very low | 33 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | | | trans | 26.5 | 146.3 | 145.7 | 74.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 449 | P | 54 | Low | 32.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | | | cis | -155.5 | 176.6 | 41.7 | 43.5 | -22.6 | 0 | 0 | 0 | 119.9 | | |
| 450 | A | 28.7 | Very low | 33.4 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | trans | 69.9 | 107.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 451 | E | 26.9 | Very low | 33.1 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | | 40 | 153 | 118.4 | -76.6 | -156.6 | 109.2 | 0 | 0 | 122.8 | | |
| 452 | P | 50.7 | Low | 33.4 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | | | cis | -140.2 | 173.1 | -35.7 | 37.2 | -20 | 0 | 0 | 0 | 113.1 | | |
| 453 | V | 26.1 | Very low | 33.1 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | | | | 155.2 | 153.5 | 125.4 | -70.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 454 | A | 26.8 | Very low | 32.9 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | 66.2 | 94.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 455 | A | 31.2 | Very low | 33.3 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | | | | 50.6 | 139.6 | 103.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 456 | V | 31.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | 78.3 | 105 | 147.1 | 170.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 457 | S | 30.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | | | | 57.6 | 160.2 | 125.1 | -47.3 | 0 | 0 | 0 | 0 | 124.7 | | |
| 458 | E | 25.4 | Very low | 33.1 | Very low | 202 Ų | 202 | 126.9 Ų | 126.9 | 94% | 0.944 | 74% | 0.74 | S | S | * | * | | | trans | 99 | 145.3 | 158.7 | -56.9 | -166.5 | 131.2 | 0 | 0 | 118.7 | | |
| 459 | D | 29.1 | Very low | 33.6 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | | | trans | -95.1 | 159.7 | -166.4 | -177.3 | 45.5 | 0 | 0 | 0 | 110.9 | | |
| 460 | P | 45.2 | Very low | 32.9 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | | -152.6 | 152.7 | 99.9 | 38.5 | -20.6 | 0 | 0 | 0 | 117.6 | | |
| 461 | A | 32.8 | Very low | 33 | Very low | 70 Ų | 70 | 132 Ų | 132 | 58% | 0.579 | 75% | 0.75 | S | S | * | * | | | | 24.1 | 150.9 | 128.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 462 | E | 37.1 | Very low | 33.2 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | | | | -169.8 | 167.8 | 61.7 | -95.3 | -62.5 | -178.4 | 0 | 0 | 114.1 | | |
| 463 | E | 27.7 | Very low | 32.7 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | 46.8 | 131.2 | 162.5 | -63.8 | -167 | 103.1 | 0 | 0 | 121.1 | K465 | E463-K465 IonicContact OE1-NZ 2.67Å; E463-K465 PolarHBondContact OE1-NZ 2.8Å |
| 464 | D | 30.4 | Very low | 33.1 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | | | cis | 101.1 | 147.4 | 26.2 | -177.4 | 47 | 0 | 0 | 0 | 114.9 | | |
| 465 | K | 37.8 | Very low | 33.8 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 50% | 0.504 | 75% | 0.751 | S | S | . | * | | | trans | 88.8 | 142.6 | 177.6 | -61.6 | 156.6 | -150.3 | 61.8 | 0 | 117.7 | E463 | E463-K465 IonicContact OE1-NZ 2.67Å; E463-K465 PolarHBondContact OE1-NZ 2.8Å |
| 466 | E | 33.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | cis | -161.5 | 176.9 | -12.8 | 52.5 | -153.7 | 161.5 | 0 | 0 | 112.4 | | |
| 467 | D | 31.1 | Very low | 34.6 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | -76 | 173.7 | -157.9 | -67.7 | -84.9 | 0 | 0 | 0 | 120.3 | | |
| 468 | T | 29.8 | Very low | 35 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | | | trans | 87.1 | 114.7 | 158.3 | 72.1 | 0 | 0 | 0 | 0 | 117 | | |
| 469 | V | 39.6 | Very low | 36.2 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | | -156.2 | 141.3 | 65.4 | 149.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 470 | V | 38.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | | | trans | -56.6 | 155.6 | 167.4 | -84.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 471 | D | 30.5 | Very low | 37.7 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | cis | -154.6 | 174.8 | -6.9 | -172.7 | -159.6 | 0 | 0 | 0 | 108.9 | | |
| 472 | N | 31.7 | Very low | 38.2 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | | | trans | -83.3 | 162.1 | -166.9 | -56.9 | -89.6 | 0 | 0 | 0 | 114.6 | | |
| 473 | T | 39.9 | Very low | 38.9 | Very low | 141 Ų | 141 | 142 Ų | 142 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | | | | 170.5 | 138.8 | 129.7 | 28.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 474 | D | 35.1 | Very low | 39.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | cis | -157.7 | 131.1 | -32.5 | -164.9 | -15.1 | 0 | 0 | 0 | 106.8 | M476 | D474-M476 WeakPolarHBondContact OD1-CG 3.23Š|
| 475 | S | 40.5 | Very low | 40.1 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | -166 | 50.2 | -177.5 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 476 | M | 32.8 | Very low | 40.6 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -98.4 | 109.7 | -171.3 | -41.2 | -43.3 | -68.6 | 0 | 0 | 112.5 | D474 | D474-M476 WeakPolarHBondContact OD1-CG 3.23Š|
| 477 | E | 47.2 | Very low | 40.9 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -70.7 | 135.3 | 158.9 | 173 | -172.7 | 159 | 0 | 0 | 110 | | |
| 478 | T | 39.6 | Very low | 41.2 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | trans | -176.1 | 137.8 | 141.9 | 12.5 | 0 | 0 | 0 | 0 | 111 | | |
| 479 | D | 49.5 | Very low | 41.4 | Very low | 161 Ų | 161 | 144 Ų | 144 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | -87.7 | -178.8 | 170 | -105.7 | -52 | 0 | 0 | 0 | 111.6 | | |
| 480 | E | 58.7 | Low | 41.4 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | 74.4 | 63.2 | 171.1 | -57.3 | -164.6 | -170 | 0 | 0 | 118.5 | | |
| 481 | I | 46.7 | Very low | 41.4 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -113.6 | 86.6 | 144.2 | -55.6 | -176.9 | 0 | 0 | 0 | 110.5 | | |
| 482 | I | 44.3 | Very low | 41.7 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 65% | 0.651 | 77% | 0.773 | S | S | * | * | | | trans | 47.1 | 117 | 153.5 | -52.6 | -179.5 | 0 | 0 | 0 | 117.6 | I484 | I482-I484 HydrophobicContact CG2-CD1 4.4Å; I482-I484 HydrophobicContact CG2-CG1 4.05Å; I482-I484 PolarHBondContact O-N 2.83Å |
| 483 | P | 52.4 | Low | 41.7 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -74.7 | 98.5 | -178.1 | 30.9 | -35.5 | 0 | 0 | 0 | 113.1 | | |
| 484 | I | 42.2 | Very low | 41.7 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | | | trans | -107.2 | -22 | 173.1 | -49.5 | -178.4 | 0 | 0 | 0 | 111.9 | I482 E486 | I482-I484 HydrophobicContact CG2-CD1 4.4Å; I482-I484 HydrophobicContact CG2-CG1 4.05Å; I482-I484 PolarHBondContact O-N 2.83Å; I484-E486 PolarHBondContact O-N 3.31Å |
| 485 | L | 40.4 | Very low | 41.7 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -75.6 | -19.6 | -175.2 | -62.5 | 178.4 | 0 | 0 | 0 | 114.4 | K487 | L485-K487 PolarHBondContact O-N 3.36Š|
| 486 | E | 47.4 | Very low | 41.4 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -69.4 | -10.2 | 178.3 | -153 | -167.2 | 159.1 | 0 | 0 | 113.4 | I484 | I484-E486 PolarHBondContact O-N 3.31Š|
| 487 | K | 42 | Very low | 41.3 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -99.1 | -1.8 | -176.2 | -70.9 | -60.4 | -174.1 | -165 | 0 | 115.7 | L485 | L485-K487 PolarHBondContact O-N 3.36Š|
| 488 | L | 36.6 | Very low | 40.5 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -127.6 | 48.8 | -176.5 | -68.4 | 177.2 | 0 | 0 | 0 | 113.4 | P490 | L488-P490 VanDerWaalsContact C-CD 3.45Å; L488-P490 WeakPolarHBondContact O-CD 3.35Å |
| 489 | A | 33.9 | Very low | 40.1 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -113 | 81.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 490 | P | 40 | Very low | 39.2 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | trans | -67.7 | 136.4 | 161.9 | -12.9 | 29.2 | 0 | 0 | 0 | 110.7 | L488 | L488-P490 VanDerWaalsContact C-CD 3.45Å; L488-P490 WeakPolarHBondContact O-CD 3.35Å |
| 491 | T | 37.6 | Very low | 37.8 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | trans | 2.5 | 119.3 | 141.6 | 52.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 492 | E | 36.9 | Very low | 36.9 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | trans | 38.4 | 126.7 | 139.3 | 74.8 | -141.2 | 132.1 | 0 | 0 | 122.4 | | |
| 493 | D | 32 | Very low | 36.4 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | | | trans | 99.7 | 150 | 132.9 | -128.9 | 0.2 | 0 | 0 | 0 | 122.6 | | |
| 494 | E | 39.7 | Very low | 35.5 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | | | trans | 45.2 | 114.6 | 161 | -65.6 | -132.4 | 121.5 | 0 | 0 | 124.1 | | |
| 495 | L | 35.9 | Very low | 35.4 | Very low | 140 Ų | 140 | 130 Ų | 130 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | | 84.1 | 130.4 | 123.6 | -67.6 | 176.9 | 0 | 0 | 0 | 123.8 | | |
| 496 | S | 33.4 | Very low | 34.9 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | | | trans | 65.8 | 110.9 | 134.9 | -158 | 0 | 0 | 0 | 0 | 120.7 | | |
| 497 | C | 30.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | trans | -70.1 | 127.3 | 157 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 498 | F | 31.1 | Very low | 33.6 | Very low | 209 Ų | 209 | 125.7 Ų | 125.7 | 92% | 0.917 | 72% | 0.715 | S | S | * | * | | | trans | -161.3 | 167 | 134.9 | -101.2 | -60.4 | 0 | 0 | 0 | 111.4 | | |
| 499 | S | 31.7 | Very low | 33.3 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | | | trans | -93.4 | 158.8 | -159.1 | -50.9 | 0 | 0 | 0 | 0 | 115 | | |
| 500 | K | 30.1 | Very low | 33.1 | Very low | 197 Ų | 197 | 127.2 Ų | 127.2 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | | | trans | 87.7 | 97.2 | 140.2 | -155.9 | 175.7 | -173.7 | 179.7 | 0 | 118.2 | | |
| 501 | A | 28.9 | Very low | 32.5 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | | | trans | 26.9 | 129 | 131.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 502 | S | 28.5 | Very low | 32.2 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 57% | 0.566 | 72% | 0.717 | S | S | * | * | | | | 125 | 66.2 | 118.2 | -154.9 | 0 | 0 | 0 | 0 | 122 | | |
| 503 | L | 33.5 | Very low | 31.9 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 45% | 0.45 | 71% | 0.714 | S | S | . | * | | | | 77.2 | 77 | 105.5 | -57 | 149.5 | 0 | 0 | 0 | 123.9 | A231 S232 H233 | A231-L503 VanDerWaalsContact CB-CA 3.44Å; A231-L503 HydrophobicContact CB-CB 4.11Å; A231-L503 HydrophobicContact CB-CD2 3.84Å; A231-L503 HydrophobicContact CB-CG 4.18Å; S232-L503 PolarHBondContact OG-O 3.29Å; H233-L503 VanDerWaalsContact N-CB 3.34Å; H233-L503 PolarHBondContact N-O 2.92Å; H233-L503 WeakPolarHBondContact O-CD1 3.33Å |
| 504 | L | 33.9 | Very low | 32 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 40% | 0.403 | 71% | 0.705 | S | S | . | * | | | trans | 129.4 | -167.8 | 140.3 | -70.9 | -165.1 | 0 | 0 | 0 | 122.8 | A230 A231 S232 | A230-L504 HydrophobicContact CB-CD1 4.28Å; A231-L504 HydrophobicContact CB-CB 4.05Å; A231-L504 HydrophobicContact CB-CD1 4.35Å; A231-L504 HydrophobicContact CB-CG 3.77Å; S232-L504 VanDerWaalsContact OG-CA 3.31Å; S232-L504 WeakPolarHBondContact OG-CA 3.43Å; S232-L504 WeakPolarHBondContact OG-CB 3.38Å |
| 505 | P | 40 | Very low | 31.7 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 48% | 0.481 | 71% | 0.708 | S | S | . | * | | | | -129 | 177 | -120.9 | 37.5 | -21.8 | 0 | 0 | 0 | 120.1 | | |
| 506 | V | 29.1 | Very low | 31.7 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | | | trans | 95.6 | 107.4 | 162.3 | -173.4 | 0 | 0 | 0 | 0 | 116 | | |
| 507 | E | 32.2 | Very low | 31.7 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | | | trans | -90.2 | 135.3 | 155.3 | -177.9 | -170.9 | -131.9 | 0 | 0 | 109.6 | | |
| 508 | T | 31.4 | Very low | 31.7 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | | | trans | -169.4 | 104.5 | 143.4 | 7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 509 | S | 30.3 | Very low | 31.6 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | | | trans | 64.4 | 153 | 135.4 | 66.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 510 | Q | 29.9 | Very low | 31.6 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | | | trans | 83.4 | 90.3 | 154.7 | -143.3 | 160.3 | 6.7 | 0 | 0 | 116 | | |
| 511 | D | 25.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | | | | 82.4 | 106.3 | 77.2 | 179.2 | 38.2 | 0 | 0 | 0 | 113.5 | | |
| 512 | L | 32.9 | Very low | 31.7 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | | | trans | -172.1 | 119.6 | 142.2 | -121.9 | 87.6 | 0 | 0 | 0 | 112.6 | | |
| 513 | E | 30.3 | Very low | 32.9 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | | | trans | 40.8 | 126.2 | 145.9 | -8.8 | -173.7 | 151.8 | 0 | 0 | 124.7 | | |
| 514 | D | 32.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | | | | 91.9 | 127.2 | 117.2 | -96.4 | 9.1 | 0 | 0 | 0 | 125.6 | | |
| 515 | K | 35.1 | Very low | 32.9 | Very low | 166 Ų | 166 | 131 Ų | 131 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | trans | 73.4 | 140 | 154.6 | -58.7 | 174.8 | -170 | 77.9 | 0 | 116.3 | | |
| 516 | M | 35.8 | Very low | 32.5 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | | | cis | -153 | 167 | 11.5 | -176.2 | 156 | -84.3 | 0 | 0 | 112.1 | | |
| 517 | E | 33.6 | Very low | 32.6 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | | | trans | -17.9 | 147.5 | 156.2 | -113.2 | 67.9 | -163.8 | 0 | 0 | 117.7 | | |
| 518 | G | 28.8 | Very low | 33 | Very low | 69 Ų | 69 | 127.1 Ų | 127.1 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | | | cis | 139.7 | -174.7 | -0.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 519 | S | 29.7 | Very low | 32.9 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | | | trans | 73 | 110.7 | 163.9 | -68.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 520 | F | 31 | Very low | 33.2 | Very low | 208 Ų | 208 | 129.5 Ų | 129.5 | 91% | 0.912 | 72% | 0.716 | S | S | * | * | | | trans | 59.2 | 146.6 | 147.2 | -41.4 | -58 | 0 | 0 | 0 | 120 | | |
| 521 | G | 28 | Very low | 33.3 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | | | cis | 178.9 | 158.6 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 522 | S | 33.9 | Very low | 34.1 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | | | trans | -88.6 | 177.3 | 176.8 | -32.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 523 | P | 53.8 | Low | 34.9 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | | | cis | -139.4 | -170.3 | -3.5 | 40.9 | -22 | 0 | 0 | 0 | 115.3 | | |
| 524 | S | 30.8 | Very low | 35.3 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | | | trans | 81 | 114.8 | 136.7 | 179.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 525 | K | 35.7 | Very low | 35.4 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | | | trans | 75.1 | 131.6 | 136.5 | -81 | -174.3 | 159.8 | -141.3 | 0 | 122.7 | | |
| 526 | Q | 30.9 | Very low | 35.7 | Very low | 93 Ų | 93 | 125 Ų | 125 | 44% | 0.435 | 72% | 0.718 | S | S | . | * | | | trans | 83.7 | 133.6 | 130.8 | -75.5 | -177.8 | -144 | 0 | 0 | 122.8 | A255 A256 S257 | A255-Q526 WeakPolarHBondContact O-CA 3.43Å; A256-Q526 WeakPolarHBondContact O-CG 3.22Å; A256-Q526 PolarHBondContact O-NE2 3.42Å; S257-Q526 PolarHBondContact OG-NE2 3.01Å |
| 527 | E | 31.2 | Very low | 35.8 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 49% | 0.486 | 71% | 0.711 | S | S | . | * | | | trans | 65.2 | 155.9 | 148.1 | -134 | 167.1 | -145.8 | 0 | 0 | 122.3 | A255 S257 | A255-E527 PolarHBondContact O-N 3.28Å; S257-E527 WeakPolarHBondContact CB-OE1 3.33Å; S257-E527 WeakPolarHBondContact CB-OE2 3.45Å; S257-E527 PolarHBondContact N-OE1 2.93Å |
| 528 | S | 40.8 | Very low | 36 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | | | trans | -72.3 | 151.7 | -172.9 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 529 | S | 30.5 | Very low | 36.6 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | | | | -159.3 | 135.1 | 122.8 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 530 | E | 36.2 | Very low | 36.8 | Very low | 160 Ų | 160 | 128 Ų | 128 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | | | trans | 46.6 | 119.9 | 134.2 | -140.4 | -173.9 | 132.1 | 0 | 0 | 120.5 | | |
| 531 | N | 32.6 | Very low | 37.4 | Very low | 133 Ų | 133 | 122.8 Ų | 122.8 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | | | | 172.5 | 111.4 | 104.6 | -89.5 | 122 | 0 | 0 | 0 | 111.1 | | |
| 532 | L | 41.8 | Very low | 37.8 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | | | trans | -72.2 | 158.2 | 157.9 | -68.4 | 173 | 0 | 0 | 0 | 109.3 | | |
| 533 | P | 48.9 | Very low | 38.2 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | | | | -146.6 | 144.2 | 105.8 | 34.9 | -18.9 | 0 | 0 | 0 | 117.1 | | |
| 534 | K | 40.2 | Very low | 37.5 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | | | trans | 83 | 127.8 | 134.7 | -75.9 | 167.7 | 164.1 | -105.6 | 0 | 122.7 | | |
| 535 | E | 35.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 58% | 0.579 | 70% | 0.704 | S | S | * | * | | | trans | 83.8 | 66 | 131.7 | -69.3 | 165.5 | -135.3 | 0 | 0 | 119.3 | F537 | E535-F537 HydrophobicContact CB-CE2 4.07Å; E535-F537 HydrophobicContact CB-CZ 3.98Å; E535-F537 HydrophobicContact CG-CE1 4.45Å; E535-F537 HydrophobicContact CG-CZ 3.96Å |
| 536 | A | 40 | Very low | 37.5 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -128.3 | 77.8 | 131.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 537 | F | 38.8 | Very low | 37.4 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | 22.6 | 109.6 | 149.9 | -51.5 | -80.1 | 0 | 0 | 0 | 118.2 | E535 | E535-F537 HydrophobicContact CB-CE2 4.07Å; E535-F537 HydrophobicContact CB-CZ 3.98Å; E535-F537 HydrophobicContact CG-CE1 4.45Å; E535-F537 HydrophobicContact CG-CZ 3.96Å |
| 538 | L | 37.2 | Very low | 37.2 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | | | | 62 | 108.5 | 89.3 | -72.9 | 153 | 0 | 0 | 0 | 111.2 | | |
| 539 | V | 40.6 | Very low | 36.5 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | cis | 48.7 | 91.3 | 42.1 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 540 | L | 34.6 | Very low | 36.5 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -129.2 | 124.9 | 143.9 | -72.6 | 177.2 | 0 | 0 | 0 | 107.1 | | |
| 541 | S | 43.6 | Very low | 36 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -70.8 | 142.9 | 145.7 | -55.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 542 | D | 36.1 | Very low | 35.8 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -122.1 | 106.3 | 156.1 | -75.8 | -44.9 | 0 | 0 | 0 | 107.5 | | |
| 543 | E | 43.8 | Very low | 35.5 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -55.1 | 161.5 | 139.5 | 53.8 | -147 | 104.6 | 0 | 0 | 108.9 | | |
| 544 | E | 37.8 | Very low | 34.5 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | | -173.8 | 163.5 | 51.9 | 54.9 | -163.5 | 105.2 | 0 | 0 | 112 | | |
| 545 | D | 34.3 | Very low | 34 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | | | trans | 44 | 117.6 | 148.5 | -79.5 | 1 | 0 | 0 | 0 | 125.1 | | |
| 546 | L | 32.4 | Very low | 33.7 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | | 56.1 | 121.9 | 120.8 | -57.4 | 174.5 | 0 | 0 | 0 | 122.1 | | |
| 547 | S | 29.4 | Very low | 33.3 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | | | trans | 104.2 | 134.6 | 131.6 | 83 | 0 | 0 | 0 | 0 | 121.7 | | |
| 548 | C | 26.2 | Very low | 32.8 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | | | trans | 15.4 | 108.7 | 152.7 | -158.9 | 0 | 0 | 0 | 0 | 120 | | |
| 549 | G | 26.8 | Very low | 32.3 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | | | trans | -151.4 | 74.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 550 | K | 30.3 | Very low | 31.7 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | | | trans | -33.1 | 149.3 | 161.5 | 162.7 | -173.4 | 170.2 | -173.6 | 0 | 117.7 | | |
| 551 | D | 25.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | | | trans | 64.7 | 162.2 | 164.2 | -77.6 | -34.3 | 0 | 0 | 0 | 116 | | |
| 552 | E | 28.9 | Very low | 30.4 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | | | cis | -150.5 | 175.2 | -5.3 | 33.1 | -158.9 | 121.5 | 0 | 0 | 111.9 | | |
| 553 | S | 35.7 | Very low | 30 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -79.1 | 161.3 | -169.4 | 57.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 554 | E | 28.4 | Very low | 30.5 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | | -166.7 | 150.2 | 111.7 | -119.9 | -162.5 | 113.8 | 0 | 0 | 116 | | |
| 555 | A | 29 | Very low | 29.9 | Very low | 81 Ų | 81 | 134.3 Ų | 134.3 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | trans | 50.6 | 154.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 556 | V | 28.6 | Very low | 29.7 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | cis | -170.4 | 155.8 | -14.4 | 128.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 557 | A | 31.9 | Very low | 29.6 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | | | cis | -174.8 | 172.9 | -35.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 558 | Q | 28 | Very low | 29.8 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | 76.6 | 157.8 | 166.7 | -48.8 | 179.8 | 19.4 | 0 | 0 | 118.9 | | |
| 559 | S | 26 | Very low | 29.9 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 56% | 0.559 | 75% | 0.751 | S | S | * | * | | | cis | -172.7 | 147.1 | -40.4 | 71.3 | 0 | 0 | 0 | 0 | 113 | | |
| 560 | K | 29.2 | Very low | 30.3 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | | | trans | 65.9 | 163.9 | 156.8 | -59.3 | 161.1 | -176.6 | 171.9 | 0 | 118.8 | | |
| 561 | M | 25.9 | Very low | 30.4 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | | | cis | 177.3 | 142.5 | -38 | 176 | 52.2 | 177.2 | 0 | 0 | 109.5 | | |
| 562 | S | 24.2 | Very low | 30.6 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | | | trans | 62.2 | 112.8 | 156.1 | 61.3 | 0 | 0 | 0 | 0 | 125 | | |
| 563 | T | 27.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | | 37.3 | 168.5 | 113.2 | 64.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 564 | P | 55 | Low | 30.4 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | cis | -140 | -151.3 | -0.2 | 38.7 | -14.4 | 0 | 0 | 0 | 116.1 | | |
| 565 | E | 25.7 | Very low | 30.6 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | | | trans | 89.1 | 146.4 | 170 | -54.7 | -154.4 | 125.2 | 0 | 0 | 118.6 | | |
| 566 | G | 30 | Very low | 30.7 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | | | cis | 175.9 | -173.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 567 | E | 29.7 | Very low | 30.7 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | | | trans | 94.5 | 140.4 | 156.2 | -50.2 | -105.2 | 106.4 | 0 | 0 | 123.3 | | |
| 568 | K | 32.9 | Very low | 30.7 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | | | trans | -71.5 | -171.6 | -175.7 | 60.3 | -103.8 | 169 | 176 | 0 | 115.8 | | |
| 569 | S | 29.6 | Very low | 30.7 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | | | cis | -175.3 | 179.4 | 28.9 | 9.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 570 | E | 34.5 | Very low | 30.8 | Very low | 145 Ų | 145 | 139 Ų | 139 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | cis | -174.5 | 166.7 | -15.3 | -178.4 | -170.4 | 117.5 | 0 | 0 | 107.8 | | |
| 571 | K | 32.6 | Very low | 30.6 | Very low | 159 Ų | 159 | 136 Ų | 136 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | | | trans | 82.1 | 117.9 | 150.9 | -124.5 | 164.4 | -161.5 | 118.8 | 0 | 119.3 | | |
| 572 | D | 30.1 | Very low | 31 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | | 76.5 | 140.3 | 51.6 | -60 | -55.5 | 0 | 0 | 0 | 115.4 | | |
| 573 | G | 30.9 | Very low | 31.1 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | cis | 145.2 | 127.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 574 | K | 28.3 | Very low | 31.1 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | | | trans | -178.8 | 139.4 | 156.3 | -99.4 | -135.7 | 158.8 | -152.7 | 0 | 109.5 | E576 | K574-E576 WeakPolarHBondContact CE-OE1 3.41Å; K574-E576 IonicContact NZ-OE1 3.48Å; K574-E576 PolarHBondContact NZ-OE1 3.29Å; K574-E576 IonicContact NZ-OE2 2.67Å; K574-E576 PolarHBondContact NZ-OE2 3.18Å |
| 575 | A | 33.3 | Very low | 29.9 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 63% | 0.628 | 73% | 0.733 | S | S | * | * | | | cis | 85 | 151.7 | 30.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 576 | E | 29.9 | Very low | 30 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 59% | 0.589 | 73% | 0.725 | S | S | * | * | | | cis | -101.6 | -144.3 | 0.8 | -84.1 | 79.8 | 178.6 | 0 | 0 | 111 | K574 | K574-E576 WeakPolarHBondContact CE-OE1 3.41Å; K574-E576 IonicContact NZ-OE1 3.48Å; K574-E576 PolarHBondContact NZ-OE1 3.29Å; K574-E576 IonicContact NZ-OE2 2.67Å; K574-E576 PolarHBondContact NZ-OE2 3.18Å |
| 577 | E | 29.2 | Very low | 30.6 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | cis | -154.8 | -113 | 3.5 | -153.6 | 147 | -105.5 | 0 | 0 | 114.2 | | |
| 578 | E | 31.7 | Very low | 31.6 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -142.7 | 175.4 | -158.6 | -81.2 | -169.7 | 147.2 | 0 | 0 | 113.4 | | |
| 579 | E | 29 | Very low | 31.8 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 53% | 0.533 | 73% | 0.729 | S | S | . | * | | | cis | -170 | 153.2 | -27.9 | 171 | 170.7 | -142.6 | 0 | 0 | 110.1 | | |
| 580 | R | 26.6 | Very low | 31.8 | Very low | 191 Ų | 191 | 142 Ų | 142 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | trans | 62.6 | 103.1 | 164.1 | -78.9 | 165.4 | -157.5 | 125.7 | 14.1 | 121.3 | | |
| 581 | V | 25.4 | Very low | 31.8 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | | | | 30.7 | 122.9 | 111.6 | -177.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 582 | P | 34.8 | Very low | 31.8 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | | | | -147.7 | 158.1 | 58.2 | 40.9 | -22.7 | 0 | 0 | 0 | 120 | | |
| 583 | A | 26.7 | Very low | 31.9 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | 56.1 | 144.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 584 | E | 27.5 | Very low | 32.4 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | | | trans | 78.3 | 132.7 | 165.7 | -54 | -84.1 | 77 | 0 | 0 | 118.8 | | |
| 585 | E | 29.8 | Very low | 32.8 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | 43.9 | 119.8 | 167.3 | -73.2 | -160.2 | 79.3 | 0 | 0 | 124.2 | | |
| 586 | Q | 27.6 | Very low | 33.2 | Very low | 163 Ų | 163 | 156.4 Ų | 156.4 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | 68.1 | 169.9 | 150.8 | -63.2 | -166.7 | 43.1 | 0 | 0 | 118.9 | | |
| 587 | P | 42.5 | Very low | 34 | Very low | 113 Ų | 113 | 159.6 Ų | 159.6 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -117.3 | -100.3 | -29 | 19.9 | 3.8 | 0 | 0 | 0 | 115.5 | | |
| 588 | P | 50.4 | Low | 34.8 | Very low | 104 Ų | 104 | 162.9 Ų | 162.9 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | trans | -138.4 | 177 | -132.5 | 46.2 | -25.9 | 0 | 0 | 0 | 119.3 | | |
| 589 | V | 37.1 | Very low | 35.6 | Very low | 130 Ų | 130 | 160 Ų | 160 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | | | trans | 51.5 | 112.4 | 162.1 | -151.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 590 | R | 29.8 | Very low | 36.3 | Very low | 239 Ų | 239 | 162.2 Ų | 162.2 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | | 172.3 | 165.2 | 118.5 | -96.9 | -179.9 | -179.6 | 171.1 | 2.1 | 113.7 | | |
| 591 | N | 34.8 | Very low | 37.6 | Very low | 154 Ų | 154 | 158.2 Ų | 158.2 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -62.8 | 139.5 | 166.2 | -64.7 | -12 | 0 | 0 | 0 | 110.8 | | |
| 592 | E | 32.6 | Very low | 38.8 | Very low | 169 Ų | 169 | 157.8 Ų | 157.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | | 179.9 | 162.9 | 103.7 | -92.4 | -148.3 | 132.5 | 0 | 0 | 114.6 | | |
| 593 | F | 32.5 | Very low | 39.5 | Very low | 178 Ų | 178 | 158.3 Ų | 158.3 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | trans | -29.3 | 127.5 | -178.8 | -67.8 | -86.3 | 0 | 0 | 0 | 122 | | |
| 594 | S | 40.3 | Very low | 41 | Very low | 96 Ų | 96 | 160.9 Ų | 160.9 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | | 69.8 | 133.7 | 116.4 | -165 | 0 | 0 | 0 | 0 | 121.2 | | |
| 595 | R | 36.8 | Very low | 42.3 | Very low | 227 Ų | 227 | 159.8 Ų | 159.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | | 173.1 | 121.9 | 112.2 | -90.6 | 158.7 | -159.4 | -115.6 | 4.2 | 113.8 | | |
| 596 | R | 41.8 | Very low | 43 | Very low | 246 Ų | 246 | 156.4 Ų | 156.4 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | | | trans | -150.9 | 117.1 | 131.9 | -168.1 | 153.5 | -71.9 | 171.4 | -0.9 | 111.3 | | |
| 597 | K | 47.5 | Very low | 43.7 | Very low | 194 Ų | 194 | 154.3 Ų | 154.3 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -77.4 | 139.4 | 173.1 | -67.4 | -93.3 | -171.5 | 176.2 | 0 | 109.7 | | |
| 598 | R | 46.3 | Very low | 44 | Very low | 247 Ų | 247 | 158.4 Ų | 158.4 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | | | trans | -134.1 | 125.9 | 139.6 | -173.1 | 176.1 | 179.7 | 95.7 | 0.3 | 108 | | |
| 599 | S | 47.9 | Very low | 44.2 | Very low | 108 Ų | 108 | 157.8 Ų | 157.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -84.6 | 133.9 | -178.9 | -25.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 600 | K | 44.5 | Very low | 44.4 | Very low | 160 Ų | 160 | 161.2 Ų | 161.2 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | | | | -153.8 | 128.1 | 124.9 | -151.8 | -172.6 | 176 | -151.5 | 0 | 109.6 | E602 | K600-E602 WeakPolarHBondContact CD-OE2 3.39Å; K600-E602 WeakPolarHBondContact CE-OE2 3.41Å; K600-E602 IonicContact NZ-OE1 2.87Å; K600-E602 PolarHBondContact NZ-OE1 3.01Å; K600-E602 IonicContact NZ-OE2 3.61Å; K600-E602 PolarHBondContact NZ-OE2 3.13Å |
| 601 | S | 54 | Low | 45.3 | Very low | 106 Ų | 106 | 161.3 Ų | 161.3 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -85.4 | 131.5 | 160.5 | 47.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 602 | E | 49.1 | Very low | 45.6 | Very low | 128 Ų | 128 | 165.1 Ų | 165.1 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | | | trans | -121.2 | 86.4 | 156.6 | -139.1 | 90.8 | -141.6 | 0 | 0 | 106 | K600 M604 | K600-E602 WeakPolarHBondContact CD-OE2 3.39Å; K600-E602 WeakPolarHBondContact CE-OE2 3.41Å; K600-E602 IonicContact NZ-OE1 2.87Å; K600-E602 PolarHBondContact NZ-OE1 3.01Å; K600-E602 IonicContact NZ-OE2 3.61Å; K600-E602 PolarHBondContact NZ-OE2 3.13Å; E602-M604 HydrophobicContact CG-CG 4.27Å; E602-M604 PolarHBondContact O-N 2.87Å |
| 603 | D | 50.2 | Low | 46.4 | Very low | 126 Ų | 126 | 166.9 Ų | 166.9 | 67% | 0.674 | 78% | 0.782 | S | S | * | * | | | trans | -64.6 | 122.6 | 155.6 | 159.3 | 29.9 | 0 | 0 | 0 | 107 | D605 | D603-D605 PolarHBondContact OD1-N 3.19Š|
| 604 | M | 57.3 | Low | 47 | Very low | 142 Ų | 142 | 163.3 Ų | 163.3 | 70% | 0.7 | 76% | 0.764 | S | S | * | * | | | trans | -147.7 | 71.7 | 167.1 | -75 | -63.5 | 150.6 | 0 | 0 | 108.4 | E602 S606 | E602-M604 HydrophobicContact CG-CG 4.27Å; E602-M604 PolarHBondContact O-N 2.87Å; M604-S606 VanDerWaalsContact C-N 3.29Å; M604-S606 PolarHBondContact O-N 3.08Å |
| 605 | D | 55.3 | Low | 47.4 | Very low | 166 Ų | 166 | 163.2 Ų | 163.2 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | | | trans | -56.6 | 98.2 | 152.1 | -97 | -30.9 | 0 | 0 | 0 | 108.4 | D603 | D603-D605 PolarHBondContact OD1-N 3.19Š|
| 606 | S | 45.4 | Very low | 48.3 | Very low | 89 Ų | 89 | 158.8 Ų | 158.8 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | | | trans | -148.3 | 80.8 | -174.6 | -160.4 | 0 | 0 | 0 | 0 | 112.9 | M604 | M604-S606 VanDerWaalsContact C-N 3.29Å; M604-S606 PolarHBondContact O-N 3.08Å |
| 607 | V | 41 | Very low | 48.8 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | | | trans | 63.4 | 113.8 | 147.1 | -170.1 | 0 | 0 | 0 | 0 | 117.6 | S609 | V607-S609 PolarHBondContact O-N 2.86Š|
| 608 | E | 50 | Low | 49.3 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | | | trans | -55.4 | 100.6 | 159.2 | -60.4 | 179 | 121.8 | 0 | 0 | 110.9 | | |
| 609 | S | 53 | Low | 49.9 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | | | trans | -156.3 | 55.6 | 178.5 | -89.9 | 0 | 0 | 0 | 0 | 114.9 | V607 | V607-S609 PolarHBondContact O-N 2.86Š|
| 610 | K | 42.5 | Very low | 50.7 | Low | 203 Ų | 203 | 143.8 Ų | 143.8 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | | | | -168.6 | 116.9 | 128.6 | -102.7 | 144.2 | -166.6 | 165.6 | 0 | 113.9 | R612 | K610-R612 VanDerWaalsContact C-N 3.27Å; K610-R612 PolarHBondContact O-N 3.23Å |
| 611 | R | 48.1 | Very low | 51.7 | Low | 241 Ų | 241 | 138.4 Ų | 138.4 | 91% | 0.909 | 67% | 0.67 | S | S | * | * | | | trans | -43.3 | 82.4 | 150.4 | -172.9 | -171.1 | -157.3 | 173 | 7.5 | 111.6 | R613 | R611-R613 PolarHBondContact O-N 3.48Š|
| 612 | R | 40.9 | Very low | 52.1 | Low | 234 Ų | 234 | 138.7 Ų | 138.7 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | | | trans | -65.5 | 127 | 148.8 | -82.9 | -171.2 | 179.8 | -100 | 2.8 | 105.7 | K610 Y614 | K610-R612 VanDerWaalsContact C-N 3.27Å; K610-R612 PolarHBondContact O-N 3.23Å; R612-Y614 PolarHBondContact O-N 3.15Å; R612-Y614 VanDerWaalsContact O-N 3.16Å |
| 613 | R | 50.4 | Low | 52.6 | Low | 205 Ų | 205 | 138.1 Ų | 138.1 | 77% | 0.774 | 66% | 0.655 | S | S | * | * | | | trans | -68.7 | 105.5 | 153.9 | -68.6 | -177.3 | -69.2 | -153.8 | 1.4 | 104.9 | R611 | R611-R613 PolarHBondContact O-N 3.48Š|
| 614 | Y | 44.4 | Very low | 53.2 | Low | 104 Ų | 104 | 137.2 Ų | 137.2 | 41% | 0.408 | 65% | 0.647 | S | S | . | * | | | trans | -59.9 | 132.6 | 154.6 | -169.9 | -81.1 | 0 | 0 | 0 | 105.3 | R612 E618 Y619 E622 | R612-Y614 PolarHBondContact O-N 3.15Å; R612-Y614 VanDerWaalsContact O-N 3.16Å; Y614-E618 HydrophobicContact CD1-CB 4.24Å; Y614-E618 HydrophobicContact CE1-CB 3.63Å; Y614-Y619 AromaticContact CD1-CD2 3.44Å; Y614-Y619 HydrophobicContact CD1-CD2 3.44Å; Y614-Y619 VanDerWaalsContact CD1-CD2 3.44Å; Y614-Y619 AromaticContact CD1-CE2 3.38Å; Y614-Y619 HydrophobicContact CD1-CE2 3.38Å; Y614-Y619 HydrophobicContact CD1-CG 4.26Å; Y614-Y619 HydrophobicContact CE1-CD1 4.13Å; Y614-Y619 AromaticContact CE1-CD2 3.34Å; Y614-Y619 HydrophobicContact CE1-CD2 3.34Å; Y614-Y619 HydrophobicContact CE1-CE1 4.16Å; Y614-Y619 AromaticContact CE1-CE2 3.39Å; Y614-Y619 HydrophobicContact CE1-CE2 3.39Å; Y614-Y619 AromaticContact CE1-CG 3.72Å; Y614-Y619 HydrophobicContact CE1-CG 3.72Å; Y614-Y619 AromaticContact CE1-CZ 3.79Å; Y614-Y619 HydrophobicContact CG-CE2 4.23Å; Y614-E622 PolarHBondContact OH-OE1 2.81Å |
| 615 | M | 48 | Very low | 53.5 | Low | 94 Ų | 94 | 135 Ų | 135 | 46% | 0.463 | 64% | 0.641 | S | S | . | * | | | trans | -79.6 | 141.4 | -169.5 | -63.8 | -57.8 | -171.1 | 0 | 0 | 110.1 | E617 E618 Y619 | M615-E617 HydrophobicContact CB-CB 4.45Å; M615-E617 PolarHBondContact O-N 3.24Å; M615-E618 HydrophobicContact CB-CG 4.17Å; M615-E618 WeakPolarHBondContact O-CB 3.46Å; M615-E618 PolarHBondContact O-N 3.41Å; M615-Y619 PolarHBondContact O-N 2.95Å |
| 616 | D | 55.5 | Low | 54 | Low | 134 Ų | 134 | 133.6 Ų | 133.6 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.3 | -33.3 | 172.9 | -80 | -44.6 | 0 | 0 | 0 | 110.1 | E618 Y619 E620 | D616-E618 PolarHBondContact O-N 2.89Å; D616-Y619 PolarHBondContact O-N 2.83Å; D616-E620 VanDerWaalsContact O-CB 3.26Å; D616-E620 WeakPolarHBondContact O-CB 3.31Å; D616-E620 PolarHBondContact O-N 3.46Å |
| 617 | E | 53.8 | Low | 54.9 | Low | 137 Ų | 137 | 133.7 Ų | 133.7 | 64% | 0.64 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.6 | -29.1 | 172.7 | -67.8 | 79.4 | -176.9 | 0 | 0 | 113.9 | M615 A621 | M615-E617 HydrophobicContact CB-CB 4.45Å; M615-E617 PolarHBondContact O-N 3.24Å; E617-A621 WeakPolarHBondContact O-CB 3.27Å; E617-A621 PolarHBondContact O-N 2.88Å |
| 618 | E | 56.6 | Low | 55.9 | Low | 99 Ų | 99 | 133 Ų | 133 | 46% | 0.463 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -75.2 | -42.8 | 176.6 | -71.2 | 168.5 | -172.1 | 0 | 0 | 110.4 | Y614 M615 D616 E622 | Y614-E618 HydrophobicContact CD1-CB 4.24Å; Y614-E618 HydrophobicContact CE1-CB 3.63Å; M615-E618 HydrophobicContact CB-CG 4.17Å; M615-E618 WeakPolarHBondContact O-CB 3.46Å; M615-E618 PolarHBondContact O-N 3.41Å; D616-E618 PolarHBondContact O-N 2.89Å; E618-E622 WeakPolarHBondContact O-CB 3.27Å; E618-E622 WeakPolarHBondContact O-CG 3.37Å; E618-E622 PolarHBondContact O-N 3.44Å |
| 619 | Y | 59.5 | Low | 56.6 | Low | 143 Ų | 143 | 126.9 Ų | 126.9 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.7 | -41 | 174 | -89.2 | -55 | 0 | 0 | 0 | 113.1 | Y614 M615 D616 E622 F623 | Y614-Y619 AromaticContact CD1-CD2 3.44Å; Y614-Y619 HydrophobicContact CD1-CD2 3.44Å; Y614-Y619 VanDerWaalsContact CD1-CD2 3.44Å; Y614-Y619 AromaticContact CD1-CE2 3.38Å; Y614-Y619 HydrophobicContact CD1-CE2 3.38Å; Y614-Y619 HydrophobicContact CD1-CG 4.26Å; Y614-Y619 HydrophobicContact CE1-CD1 4.13Å; Y614-Y619 AromaticContact CE1-CD2 3.34Å; Y614-Y619 HydrophobicContact CE1-CD2 3.34Å; Y614-Y619 HydrophobicContact CE1-CE1 4.16Å; Y614-Y619 AromaticContact CE1-CE2 3.39Å; Y614-Y619 HydrophobicContact CE1-CE2 3.39Å; Y614-Y619 AromaticContact CE1-CG 3.72Å; Y614-Y619 HydrophobicContact CE1-CG 3.72Å; Y614-Y619 AromaticContact CE1-CZ 3.79Å; Y614-Y619 HydrophobicContact CG-CE2 4.23Å; M615-Y619 PolarHBondContact O-N 2.95Å; D616-Y619 PolarHBondContact O-N 2.83Å; Y619-E622 PolarHBondContact O-N 3.38Å; Y619-F623 WeakPolarHBondContact O-CB 3.4Å; Y619-F623 PolarHBondContact O-N 3.24Å |
| 620 | E | 64.7 | Low | 57.1 | Low | 100 Ų | 100 | 127.9 Ų | 127.9 | 47% | 0.467 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.4 | -45 | 177.1 | -175.1 | 60.5 | -135.9 | 0 | 0 | 110.2 | D616 F623 Q624 | D616-E620 VanDerWaalsContact O-CB 3.26Å; D616-E620 WeakPolarHBondContact O-CB 3.31Å; D616-E620 PolarHBondContact O-N 3.46Å; E620-F623 PolarHBondContact O-N 2.89Å; E620-Q624 WeakPolarHBondContact O-CB 3.32Å; E620-Q624 VanDerWaalsContact O-CG 3.31Å; E620-Q624 WeakPolarHBondContact O-CG 3.34Å; E620-Q624 PolarHBondContact O-N 3.37Å; E620-Q624 WeakPolarHBondContact OE1-CG 3.4Å; E620-Q624 PolarHBondContact OE1-NE2 3.35Å |
| 621 | A | 66.4 | Low | 58.8 | Low | 48 Ų | 48 | 119.7 Ų | 119.7 | 40% | 0.397 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -46.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E617 F623 Q624 V625 | E617-A621 WeakPolarHBondContact O-CB 3.27Å; E617-A621 PolarHBondContact O-N 2.88Å; A621-F623 VanDerWaalsContact C-N 3.29Å; A621-F623 PolarHBondContact O-N 2.91Å; A621-Q624 PolarHBondContact O-N 2.96Å; A621-V625 WeakPolarHBondContact O-CB 3.36Å; A621-V625 VanDerWaalsContact O-CG2 3.23Å; A621-V625 WeakPolarHBondContact O-CG2 3.38Å; A621-V625 PolarHBondContact O-N 2.86Å |
| 622 | E | 61.3 | Low | 60.5 | Low | 112 Ų | 112 | 113.4 Ų | 113.4 | 52% | 0.523 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 176 | -78.4 | -168.4 | -167.2 | 0 | 0 | 112.5 | Y614 E618 Y619 K626 | Y614-E622 PolarHBondContact OH-OE1 2.81Å; E618-E622 WeakPolarHBondContact O-CB 3.27Å; E618-E622 WeakPolarHBondContact O-CG 3.37Å; E618-E622 PolarHBondContact O-N 3.44Å; Y619-E622 PolarHBondContact O-N 3.38Å; E622-K626 VanDerWaalsContact O-CB 3.25Å; E622-K626 WeakPolarHBondContact O-CB 3.34Å; E622-K626 PolarHBondContact O-N 2.94Å |
| 623 | F | 60.6 | Low | 62.7 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.3 | -44.5 | 178.3 | -166.8 | -113.7 | 0 | 0 | 0 | 111.9 | Y619 E620 A621 K626 I627 | Y619-F623 WeakPolarHBondContact O-CB 3.4Å; Y619-F623 PolarHBondContact O-N 3.24Å; E620-F623 PolarHBondContact O-N 2.89Å; A621-F623 VanDerWaalsContact C-N 3.29Å; A621-F623 PolarHBondContact O-N 2.91Å; F623-K626 PolarHBondContact O-N 3.46Å; F623-I627 HydrophobicContact CD1-CD1 3.75Å; F623-I627 HydrophobicContact CE1-CD1 3.51Å; F623-I627 HydrophobicContact CG-CD1 4.46Å; F623-I627 HydrophobicContact CZ-CD1 4.04Å; F623-I627 WeakPolarHBondContact O-CG1 3.27Å; F623-I627 PolarHBondContact O-N 3.23Å |
| 624 | Q | 62.7 | Low | 64.4 | Low | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 173.4 | -71.4 | -176.7 | 22.6 | 0 | 0 | 112.1 | E620 A621 K626 I627 T628 | E620-Q624 WeakPolarHBondContact O-CB 3.32Å; E620-Q624 VanDerWaalsContact O-CG 3.31Å; E620-Q624 WeakPolarHBondContact O-CG 3.34Å; E620-Q624 PolarHBondContact O-N 3.37Å; E620-Q624 WeakPolarHBondContact OE1-CG 3.4Å; E620-Q624 PolarHBondContact OE1-NE2 3.35Å; A621-Q624 PolarHBondContact O-N 2.96Å; Q624-K626 VanDerWaalsContact C-N 3.33Å; Q624-K626 PolarHBondContact O-N 3.5Å; Q624-I627 PolarHBondContact O-N 2.87Å; Q624-T628 WeakPolarHBondContact O-CB 3.46Å; Q624-T628 WeakPolarHBondContact O-CG2 3.39Å; Q624-T628 PolarHBondContact O-N 3.4Å; Q624-T628 PolarHBondContact O-OG1 2.86Å |
| 625 | V | 63.7 | Low | 66.7 | Low | 94 Ų | 94 | 100.5 Ų | 100.5 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -40.7 | 172.7 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | A621 T628 A629 | A621-V625 WeakPolarHBondContact O-CB 3.36Å; A621-V625 VanDerWaalsContact O-CG2 3.23Å; A621-V625 WeakPolarHBondContact O-CG2 3.38Å; A621-V625 PolarHBondContact O-N 2.86Å; V625-T628 WeakPolarHBondContact CA-OG1 3.41Å; V625-T628 PolarHBondContact O-N 3.49Å; V625-T628 PolarHBondContact O-OG1 3.05Å; V625-A629 WeakPolarHBondContact O-CB 3.2Å; V625-A629 PolarHBondContact O-N 2.83Å |
| 626 | K | 65.4 | Low | 68.8 | Low | 138 Ų | 138 | 102.8 Ų | 102.8 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.2 | -28.7 | 177.6 | -168.6 | 161.7 | 60.5 | -158 | 0 | 113.4 | E622 F623 Q624 K630 | E622-K626 VanDerWaalsContact O-CB 3.25Å; E622-K626 WeakPolarHBondContact O-CB 3.34Å; E622-K626 PolarHBondContact O-N 2.94Å; F623-K626 PolarHBondContact O-N 3.46Å; Q624-K626 VanDerWaalsContact C-N 3.33Å; Q624-K626 PolarHBondContact O-N 3.5Å; K626-K630 WeakPolarHBondContact O-CB 3.45Å; K626-K630 PolarHBondContact O-N 2.73Å |
| 627 | I | 63.9 | Low | 70.6 | Confident | 91 Ų | 91 | 101 Ų | 101 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.3 | -46.6 | 171.4 | -72.6 | 170.7 | 0 | 0 | 0 | 111 | F623 Q624 K630 G631 | F623-I627 HydrophobicContact CD1-CD1 3.75Å; F623-I627 HydrophobicContact CE1-CD1 3.51Å; F623-I627 HydrophobicContact CG-CD1 4.46Å; F623-I627 HydrophobicContact CZ-CD1 4.04Å; F623-I627 WeakPolarHBondContact O-CG1 3.27Å; F623-I627 PolarHBondContact O-N 3.23Å; Q624-I627 PolarHBondContact O-N 2.87Å; I627-K630 WeakPolarHBondContact O-CB 3.4Å; I627-K630 PolarHBondContact O-N 2.72Å; I627-K630 VanDerWaalsContact O-N 3.16Å; I627-G631 PolarHBondContact O-N 2.89Å |
| 628 | T | 61.8 | Low | 72.6 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.4 | -37.7 | -179 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | Q624 V625 K630 G631 | Q624-T628 WeakPolarHBondContact O-CB 3.46Å; Q624-T628 WeakPolarHBondContact O-CG2 3.39Å; Q624-T628 PolarHBondContact O-N 3.4Å; Q624-T628 PolarHBondContact O-OG1 2.86Å; V625-T628 WeakPolarHBondContact CA-OG1 3.41Å; V625-T628 PolarHBondContact O-N 3.49Å; V625-T628 PolarHBondContact O-OG1 3.05Å; T628-K630 PolarHBondContact O-N 3.19Å; T628-G631 WeakPolarHBondContact O-CA 3.15Å; T628-G631 PolarHBondContact O-N 3.39Å |
| 629 | A | 64.9 | Low | 74.5 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -24.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | V625 G631 | V625-A629 WeakPolarHBondContact O-CB 3.2Å; V625-A629 PolarHBondContact O-N 2.83Å; A629-G631 PolarHBondContact O-N 3.46Å |
| 630 | K | 64 | Low | 76.2 | Confident | 113 Ų | 113 | 99 Ų | 99 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -3.4 | 169.2 | -162 | 173.6 | 179.2 | -176.5 | 0 | 112.6 | K626 I627 T628 D632 I633 N634 | K626-K630 WeakPolarHBondContact O-CB 3.45Å; K626-K630 PolarHBondContact O-N 2.73Å; I627-K630 WeakPolarHBondContact O-CB 3.4Å; I627-K630 PolarHBondContact O-N 2.72Å; I627-K630 VanDerWaalsContact O-N 3.16Å; T628-K630 PolarHBondContact O-N 3.19Å; K630-D632 VanDerWaalsContact C-N 3.28Å; K630-D632 PolarHBondContact O-N 2.82Å; K630-I633 HydrophobicContact CG-CB 3.97Å; K630-I633 HydrophobicContact CG-CD1 4.24Å; K630-I633 HydrophobicContact CG-CG2 4.36Å; K630-I633 WeakPolarHBondContact O-CB 3.43Å; K630-I633 PolarHBondContact O-N 3.17Å; K630-N634 PolarHBondContact O-N 3.34Å |
| 631 | G | 77.8 | Confident | 77.7 | Confident | 30 Ų | 30 | 98.3 Ų | 98.3 | 31% | 0.309 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -51.7 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I627 T628 A629 I633 N634 Q635 | I627-G631 PolarHBondContact O-N 2.89Å; T628-G631 WeakPolarHBondContact O-CA 3.15Å; T628-G631 PolarHBondContact O-N 3.39Å; A629-G631 PolarHBondContact O-N 3.46Å; G631-I633 VanDerWaalsContact C-N 3.34Å; G631-I633 PolarHBondContact O-N 2.93Å; G631-N634 PolarHBondContact O-N 2.77Å; G631-Q635 WeakPolarHBondContact O-CB 3.28Å; G631-Q635 PolarHBondContact O-N 3.36Å |
| 632 | D | 83.3 | Confident | 79.2 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 175.9 | -78.6 | -14.9 | 0 | 0 | 0 | 113.2 | K630 K636 | K630-D632 VanDerWaalsContact C-N 3.28Å; K630-D632 PolarHBondContact O-N 2.82Å; D632-K636 WeakPolarHBondContact O-CB 3.11Å; D632-K636 VanDerWaalsContact O-CG 3.23Å; D632-K636 WeakPolarHBondContact O-CG 3.18Å; D632-K636 PolarHBondContact O-N 2.87Å |
| 633 | I | 88.1 | Confident | 80.9 | Confident | 101 Ų | 101 | 104.4 Ų | 104.4 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.1 | -41.4 | 178.2 | -66.6 | 169.8 | 0 | 0 | 0 | 109.6 | K630 G631 K636 L637 | K630-I633 HydrophobicContact CG-CB 3.97Å; K630-I633 HydrophobicContact CG-CD1 4.24Å; K630-I633 HydrophobicContact CG-CG2 4.36Å; K630-I633 WeakPolarHBondContact O-CB 3.43Å; K630-I633 PolarHBondContact O-N 3.17Å; G631-I633 VanDerWaalsContact C-N 3.34Å; G631-I633 PolarHBondContact O-N 2.93Å; I633-K636 PolarHBondContact O-N 3Å; I633-L637 WeakPolarHBondContact O-CB 3.32Å; I633-L637 PolarHBondContact O-N 2.91Å |
| 634 | N | 86.5 | Confident | 82.7 | Confident | 78 Ų | 78 | 102.9 Ų | 102.9 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 175.3 | -67.4 | -19.8 | 0 | 0 | 0 | 111.6 | K630 G631 L637 Q638 | K630-N634 PolarHBondContact O-N 3.34Å; G631-N634 PolarHBondContact O-N 2.77Å; N634-L637 PolarHBondContact O-N 2.98Å; N634-Q638 WeakPolarHBondContact O-CB 3.36Å; N634-Q638 PolarHBondContact O-N 3.27Å |
| 635 | Q | 91.6 | Very high | 84.3 | Confident | 93 Ų | 93 | 103.1 Ų | 103.1 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 176.4 | -162.3 | -162.3 | 100.9 | 0 | 0 | 111.9 | G631 Q638 K639 | G631-Q635 WeakPolarHBondContact O-CB 3.28Å; G631-Q635 PolarHBondContact O-N 3.36Å; Q635-Q638 PolarHBondContact O-N 2.9Å; Q635-K639 WeakPolarHBondContact O-CB 3.33Å; Q635-K639 WeakPolarHBondContact O-CG 3.48Å; Q635-K639 PolarHBondContact O-N 2.87Å |
| 636 | K | 92.8 | Very high | 85.9 | Confident | 141 Ų | 141 | 103.5 Ų | 103.5 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 170.2 | -77.8 | 169.5 | -178.8 | 173.2 | 0 | 111.3 | D632 I633 K639 V640 | D632-K636 WeakPolarHBondContact O-CB 3.11Å; D632-K636 VanDerWaalsContact O-CG 3.23Å; D632-K636 WeakPolarHBondContact O-CG 3.18Å; D632-K636 PolarHBondContact O-N 2.87Å; I633-K636 PolarHBondContact O-N 3Å; K636-K639 PolarHBondContact O-N 3.03Å; K636-V640 WeakPolarHBondContact O-CG2 3.26Å; K636-V640 PolarHBondContact O-N 3.32Å |
| 637 | L | 94.2 | Very high | 87.4 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.5 | 179.2 | 60 | 0 | 0 | 0 | 111.5 | I633 N634 K639 V640 I641 | I633-L637 WeakPolarHBondContact O-CB 3.32Å; I633-L637 PolarHBondContact O-N 2.91Å; N634-L637 PolarHBondContact O-N 2.98Å; L637-K639 VanDerWaalsContact C-N 3.35Å; L637-K639 PolarHBondContact O-N 3Å; L637-V640 PolarHBondContact O-N 3.13Å; L637-I641 HydrophobicContact CD1-CD1 3.96Å; L637-I641 HydrophobicContact CD1-CG1 4.27Å; L637-I641 HydrophobicContact CG-CD1 3.88Å; L637-I641 VanDerWaalsContact O-CG1 3.31Å; L637-I641 WeakPolarHBondContact O-CG1 3.38Å; L637-I641 PolarHBondContact O-N 3.33Å |
| 638 | Q | 94.8 | Very high | 89 | Confident | 122 Ų | 122 | 101.7 Ų | 101.7 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.2 | -43.9 | 174 | -174.2 | -179.1 | 4.3 | 0 | 0 | 111.5 | N634 Q635 I641 Q642 | N634-Q638 WeakPolarHBondContact O-CB 3.36Å; N634-Q638 PolarHBondContact O-N 3.27Å; Q635-Q638 PolarHBondContact O-N 2.9Å; Q638-I641 PolarHBondContact O-N 3.16Å; Q638-Q642 VanDerWaalsContact O-CB 3.27Å; Q638-Q642 WeakPolarHBondContact O-CB 3.34Å; Q638-Q642 PolarHBondContact O-N 3.49Å |
| 639 | K | 95.8 | Very high | 90.6 | Very high | 126 Ų | 126 | 101.5 Ų | 101.5 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 175.5 | -77 | 166.7 | 173.2 | 171.3 | 0 | 112.7 | Q635 K636 L637 W643 | Q635-K639 WeakPolarHBondContact O-CB 3.33Å; Q635-K639 WeakPolarHBondContact O-CG 3.48Å; Q635-K639 PolarHBondContact O-N 2.87Å; K636-K639 PolarHBondContact O-N 3.03Å; L637-K639 VanDerWaalsContact C-N 3.35Å; L637-K639 PolarHBondContact O-N 3Å; K639-W643 VanDerWaalsContact O-CB 3.32Å; K639-W643 WeakPolarHBondContact O-CB 3.45Å; K639-W643 PolarHBondContact O-N 2.93Å |
| 640 | V | 96.1 | Very high | 92 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | K636 L637 W643 L644 | K636-V640 WeakPolarHBondContact O-CG2 3.26Å; K636-V640 PolarHBondContact O-N 3.32Å; L637-V640 PolarHBondContact O-N 3.13Å; V640-W643 PolarHBondContact O-N 2.9Å; V640-L644 WeakPolarHBondContact O-CB 3.41Å; V640-L644 PolarHBondContact O-N 2.95Å |
| 641 | I | 96.3 | Very high | 93.5 | Very high | 85 Ų | 85 | 97.8 Ų | 97.8 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.1 | -68.6 | 166.8 | 0 | 0 | 0 | 110.7 | L637 Q638 W643 L644 L645 | L637-I641 HydrophobicContact CD1-CD1 3.96Å; L637-I641 HydrophobicContact CD1-CG1 4.27Å; L637-I641 HydrophobicContact CG-CD1 3.88Å; L637-I641 VanDerWaalsContact O-CG1 3.31Å; L637-I641 WeakPolarHBondContact O-CG1 3.38Å; L637-I641 PolarHBondContact O-N 3.33Å; Q638-I641 PolarHBondContact O-N 3.16Å; I641-W643 VanDerWaalsContact C-N 3.34Å; I641-W643 PolarHBondContact O-N 2.94Å; I641-L644 PolarHBondContact O-N 2.99Å; I641-L645 HydrophobicContact CG2-CD1 3.84Å; I641-L645 HydrophobicContact CG2-CG 4.36Å; I641-L645 WeakPolarHBondContact O-CB 3.28Å; I641-L645 VanDerWaalsContact O-CG 3.27Å; I641-L645 WeakPolarHBondContact O-CG 3.31Å; I641-L645 PolarHBondContact O-N 3.47Å |
| 642 | Q | 97.7 | Very high | 94.4 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.7 | -46.4 | 175.3 | -171.8 | 85.9 | 51 | 0 | 0 | 111.2 | Q638 Q646 | Q638-Q642 VanDerWaalsContact O-CB 3.27Å; Q638-Q642 WeakPolarHBondContact O-CB 3.34Å; Q638-Q642 PolarHBondContact O-N 3.49Å; Q642-Q646 WeakPolarHBondContact O-CB 3.25Å; Q642-Q646 PolarHBondContact O-N 3.35Å |
| 643 | W | 97.3 | Very high | 95 | Very high | 166 Ų | 166 | 101.5 Ų | 101.5 | 63% | 0.629 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 178.8 | -179.7 | 81.6 | 0 | 0 | 0 | 112.2 | K639 V640 I641 L645 Q646 E647 | K639-W643 VanDerWaalsContact O-CB 3.32Å; K639-W643 WeakPolarHBondContact O-CB 3.45Å; K639-W643 PolarHBondContact O-N 2.93Å; V640-W643 PolarHBondContact O-N 2.9Å; I641-W643 VanDerWaalsContact C-N 3.34Å; I641-W643 PolarHBondContact O-N 2.94Å; W643-L645 PolarHBondContact O-N 3.31Å; W643-Q646 PolarHBondContact O-N 3.26Å; W643-E647 WeakPolarHBondContact O-CB 3.38Å; W643-E647 PolarHBondContact O-N 3.4Å |
| 644 | L | 97.6 | Very high | 95.2 | Very high | 83 Ų | 83 | 100.1 Ų | 100.1 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.3 | -173.1 | 69.7 | 0 | 0 | 0 | 111.8 | V640 I641 E647 K648 | V640-L644 WeakPolarHBondContact O-CB 3.41Å; V640-L644 PolarHBondContact O-N 2.95Å; I641-L644 PolarHBondContact O-N 2.99Å; L644-E647 PolarHBondContact O-N 3.41Å; L644-K648 WeakPolarHBondContact O-CG 3.33Å; L644-K648 PolarHBondContact O-N 2.88Å |
| 645 | L | 96.9 | Very high | 95.7 | Very high | 113 Ų | 113 | 99 Ų | 99 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 174.6 | -72.9 | 171.7 | 0 | 0 | 0 | 111.6 | I641 W643 K648 L649 | I641-L645 HydrophobicContact CG2-CD1 3.84Å; I641-L645 HydrophobicContact CG2-CG 4.36Å; I641-L645 WeakPolarHBondContact O-CB 3.28Å; I641-L645 VanDerWaalsContact O-CG 3.27Å; I641-L645 WeakPolarHBondContact O-CG 3.31Å; I641-L645 PolarHBondContact O-N 3.47Å; W643-L645 PolarHBondContact O-N 3.31Å; L645-K648 PolarHBondContact O-N 2.83Å; L645-L649 VanDerWaalsContact O-CB 3.25Å; L645-L649 WeakPolarHBondContact O-CB 3.35Å; L645-L649 PolarHBondContact O-N 3.32Å |
| 646 | Q | 97.2 | Very high | 95.9 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.1 | -172.1 | 63.6 | 44.8 | 0 | 0 | 111.6 | Q642 W643 L649 C650 | Q642-Q646 WeakPolarHBondContact O-CB 3.25Å; Q642-Q646 PolarHBondContact O-N 3.35Å; W643-Q646 PolarHBondContact O-N 3.26Å; Q646-L649 PolarHBondContact O-N 3.23Å; Q646-C650 PolarHBondContact NE2-SG 2.89Å; Q646-C650 WeakPolarHBondContact O-CB 3.23Å; Q646-C650 PolarHBondContact O-N 3.48Å; Q646-C650 PolarHBondContact O-SG 3.5Å |
| 647 | E | 97.1 | Very high | 96 | Very high | 74 Ų | 74 | 97.8 Ų | 97.8 | 35% | 0.346 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -49.3 | 176.2 | -173 | -151.6 | -144.9 | 0 | 0 | 110.9 | W643 L644 L649 C650 A651 | W643-E647 WeakPolarHBondContact O-CB 3.38Å; W643-E647 PolarHBondContact O-N 3.4Å; L644-E647 PolarHBondContact O-N 3.41Å; E647-L649 PolarHBondContact O-N 3.2Å; E647-C650 PolarHBondContact O-N 2.91Å; E647-A651 VanDerWaalsContact O-CB 3.31Å; E647-A651 WeakPolarHBondContact O-CB 3.42Å; E647-A651 PolarHBondContact O-N 3.41Å |
| 648 | K | 96.5 | Very high | 96.2 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.7 | -33 | 179 | -61.6 | -36.9 | -179.5 | -153 | 0 | 112.8 | L644 L645 L652 | L644-K648 WeakPolarHBondContact O-CG 3.33Å; L644-K648 PolarHBondContact O-N 2.88Å; L645-K648 PolarHBondContact O-N 2.83Å; K648-L652 VanDerWaalsContact O-CB 3.28Å; K648-L652 WeakPolarHBondContact O-CB 3.16Å; K648-L652 PolarHBondContact O-N 2.94Å |
| 649 | L | 96.9 | Very high | 96.3 | Very high | 99 Ų | 99 | 99.4 Ų | 99.4 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -46 | 174.8 | -174.8 | 62.3 | 0 | 0 | 0 | 111.5 | L645 Q646 E647 L652 Q653 | L645-L649 VanDerWaalsContact O-CB 3.25Å; L645-L649 WeakPolarHBondContact O-CB 3.35Å; L645-L649 PolarHBondContact O-N 3.32Å; Q646-L649 PolarHBondContact O-N 3.23Å; E647-L649 PolarHBondContact O-N 3.2Å; L649-L652 PolarHBondContact O-N 3.43Å; L649-Q653 WeakPolarHBondContact O-CB 3.26Å; L649-Q653 PolarHBondContact O-N 3.32Å |
| 650 | C | 94.3 | Very high | 96.3 | Very high | 53 Ų | 53 | 97 Ų | 97 | 36% | 0.358 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 172.8 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | Q646 E647 L652 Q653 C654 | Q646-C650 PolarHBondContact NE2-SG 2.89Å; Q646-C650 WeakPolarHBondContact O-CB 3.23Å; Q646-C650 PolarHBondContact O-N 3.48Å; Q646-C650 PolarHBondContact O-SG 3.5Å; E647-C650 PolarHBondContact O-N 2.91Å; C650-L652 PolarHBondContact O-N 3.38Å; C650-Q653 PolarHBondContact O-N 3.45Å; C650-C654 PolarHBondContact O-N 3.35Å; C650-C654 PolarHBondContact O-SG 2.96Å; C650-C654 VanDerWaalsContact O-SG 3.32Å |
| 651 | A | 96.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 97.8 Ų | 97.8 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | E647 A655 | E647-A651 VanDerWaalsContact O-CB 3.31Å; E647-A651 WeakPolarHBondContact O-CB 3.42Å; E647-A651 PolarHBondContact O-N 3.41Å; A651-A655 WeakPolarHBondContact O-CB 3.34Å; A651-A655 PolarHBondContact O-N 2.78Å |
| 652 | L | 96.3 | Very high | 96.4 | Very high | 111 Ų | 111 | 96.3 Ų | 96.3 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 174.4 | -179.8 | 61.9 | 0 | 0 | 0 | 111.7 | K648 L649 C650 A655 V656 | K648-L652 VanDerWaalsContact O-CB 3.28Å; K648-L652 WeakPolarHBondContact O-CB 3.16Å; K648-L652 PolarHBondContact O-N 2.94Å; L649-L652 PolarHBondContact O-N 3.43Å; C650-L652 PolarHBondContact O-N 3.38Å; L652-A655 PolarHBondContact O-N 2.87Å; L652-V656 WeakPolarHBondContact O-CG2 3.36Å; L652-V656 PolarHBondContact O-N 2.88Å |
| 653 | Q | 95.2 | Very high | 96.3 | Very high | 107 Ų | 107 | 95.9 Ų | 95.9 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.2 | -172.9 | 172.2 | 9.2 | 0 | 0 | 111.8 | L649 C650 V656 F657 | L649-Q653 WeakPolarHBondContact O-CB 3.26Å; L649-Q653 PolarHBondContact O-N 3.32Å; C650-Q653 PolarHBondContact O-N 3.45Å; Q653-V656 PolarHBondContact O-N 2.79Å; Q653-F657 HydrophobicContact CG-CD2 3.94Å; Q653-F657 HydrophobicContact CG-CE2 3.64Å; Q653-F657 VanDerWaalsContact O-CD2 3.23Å; Q653-F657 WeakPolarHBondContact O-CD2 3.2Å; Q653-F657 PolarHBondContact O-N 2.85Å |
| 654 | C | 93.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 91.8 Ų | 91.8 | 48% | 0.48 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -50.1 | 171.8 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | C650 V656 F657 D658 | C650-C654 PolarHBondContact O-N 3.35Å; C650-C654 PolarHBondContact O-SG 2.96Å; C650-C654 VanDerWaalsContact O-SG 3.32Å; C654-V656 VanDerWaalsContact C-N 3.26Å; C654-V656 PolarHBondContact O-N 3.35Å; C654-F657 CarbonylContact O-C 3.58Å; C654-F657 WeakPolarHBondContact O-CA 3.47Å; C654-F657 PolarHBondContact O-N 2.97Å; C654-D658 PolarHBondContact O-N 3.06Å |
| 655 | A | 95.8 | Very high | 96 | Very high | 56 Ų | 56 | 94.9 Ų | 94.9 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -33.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A651 L652 K659 | A651-A655 WeakPolarHBondContact O-CB 3.34Å; A651-A655 PolarHBondContact O-N 2.78Å; L652-A655 PolarHBondContact O-N 2.87Å; A655-K659 VanDerWaalsContact O-CB 3.26Å; A655-K659 WeakPolarHBondContact O-CB 3.32Å; A655-K659 PolarHBondContact O-N 3.39Å; A655-K659 VanDerWaalsContact O-N 3.1Å |
| 656 | V | 95.8 | Very high | 95.8 | Very high | 83 Ų | 83 | 93.7 Ų | 93.7 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 171 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | L652 Q653 C654 K659 T660 | L652-V656 WeakPolarHBondContact O-CG2 3.36Å; L652-V656 PolarHBondContact O-N 2.88Å; Q653-V656 PolarHBondContact O-N 2.79Å; C654-V656 VanDerWaalsContact C-N 3.26Å; C654-V656 PolarHBondContact O-N 3.35Å; V656-K659 PolarHBondContact O-N 3.32Å; V656-T660 WeakPolarHBondContact O-CG2 3.32Å; V656-T660 PolarHBondContact O-N 3Å; V656-T660 PolarHBondContact O-OG1 3.39Å |
| 657 | F | 95.8 | Very high | 95.7 | Very high | 125 Ų | 125 | 94.9 Ų | 94.9 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -51.1 | 176.2 | -79.9 | -54.5 | 0 | 0 | 0 | 112 | Q653 C654 K659 T660 L661 | Q653-F657 HydrophobicContact CG-CD2 3.94Å; Q653-F657 HydrophobicContact CG-CE2 3.64Å; Q653-F657 VanDerWaalsContact O-CD2 3.23Å; Q653-F657 WeakPolarHBondContact O-CD2 3.2Å; Q653-F657 PolarHBondContact O-N 2.85Å; C654-F657 CarbonylContact O-C 3.58Å; C654-F657 WeakPolarHBondContact O-CA 3.47Å; C654-F657 PolarHBondContact O-N 2.97Å; F657-K659 VanDerWaalsContact C-N 3.29Å; F657-K659 PolarHBondContact O-N 3.1Å; F657-T660 CarbonylContact O-C 3.53Å; F657-T660 PolarHBondContact O-N 2.96Å; F657-T660 PolarHBondContact O-OG1 2.94Å; F657-L661 WeakPolarHBondContact O-CB 3.37Å; F657-L661 PolarHBondContact O-N 2.78Å |
| 658 | D | 97.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 95 Ų | 95 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 178.6 | -69.7 | -37.2 | 0 | 0 | 0 | 111.9 | C654 L661 A662 | C654-D658 PolarHBondContact O-N 3.06Å; D658-L661 PolarHBondContact O-N 3.32Å; D658-A662 VanDerWaalsContact O-CB 3.29Å; D658-A662 WeakPolarHBondContact O-CB 3.47Å; D658-A662 PolarHBondContact O-N 3.31Å |
| 659 | K | 96.8 | Very high | 94.8 | Very high | 156 Ų | 156 | 96.1 Ų | 96.1 | 68% | 0.678 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 174 | -176.4 | 173.9 | 180 | 176.1 | 0 | 112.1 | A655 V656 F657 L661 A662 E663 | A655-K659 VanDerWaalsContact O-CB 3.26Å; A655-K659 WeakPolarHBondContact O-CB 3.32Å; A655-K659 PolarHBondContact O-N 3.39Å; A655-K659 VanDerWaalsContact O-N 3.1Å; V656-K659 PolarHBondContact O-N 3.32Å; F657-K659 VanDerWaalsContact C-N 3.29Å; F657-K659 PolarHBondContact O-N 3.1Å; K659-L661 VanDerWaalsContact C-N 3.32Å; K659-A662 PolarHBondContact O-N 2.83Å; K659-E663 WeakPolarHBondContact O-CB 3.29Å; K659-E663 PolarHBondContact O-N 3.19Å |
| 660 | T | 96.9 | Very high | 94.2 | Very high | 74 Ų | 74 | 99.9 Ų | 99.9 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.4 | -31.1 | 176.6 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | V656 F657 L664 | V656-T660 WeakPolarHBondContact O-CG2 3.32Å; V656-T660 PolarHBondContact O-N 3Å; V656-T660 PolarHBondContact O-OG1 3.39Å; F657-T660 CarbonylContact O-C 3.53Å; F657-T660 PolarHBondContact O-N 2.96Å; F657-T660 PolarHBondContact O-OG1 2.94Å; T660-L664 WeakPolarHBondContact O-CB 3.44Å; T660-L664 PolarHBondContact O-N 3.24Å |
| 661 | L | 97.1 | Very high | 93.5 | Very high | 106 Ų | 106 | 103.4 Ų | 103.4 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.3 | -40.5 | 175.6 | -179.4 | 60.6 | 0 | 0 | 0 | 111.3 | F657 D658 K659 L664 K665 | F657-L661 WeakPolarHBondContact O-CB 3.37Å; F657-L661 PolarHBondContact O-N 2.78Å; D658-L661 PolarHBondContact O-N 3.32Å; K659-L661 VanDerWaalsContact C-N 3.32Å; L661-L664 PolarHBondContact O-N 3.36Å; L661-K665 VanDerWaalsContact O-CB 3.28Å; L661-K665 WeakPolarHBondContact O-CB 3.24Å; L661-K665 PolarHBondContact O-N 2.93Å |
| 662 | A | 96.1 | Very high | 92.5 | Very high | 54 Ų | 54 | 105.2 Ų | 105.2 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D658 K659 L664 K665 T666 | D658-A662 VanDerWaalsContact O-CB 3.29Å; D658-A662 WeakPolarHBondContact O-CB 3.47Å; D658-A662 PolarHBondContact O-N 3.31Å; K659-A662 PolarHBondContact O-N 2.83Å; A662-L664 VanDerWaalsContact C-N 3.35Å; A662-L664 PolarHBondContact O-N 3.46Å; A662-K665 WeakPolarHBondContact O-CB 3.5Å; A662-K665 PolarHBondContact O-N 3.2Å; A662-T666 PolarHBondContact O-N 3.46Å; A662-T666 PolarHBondContact O-OG1 2.79Å |
| 663 | E | 95.6 | Very high | 91.1 | Very high | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.6 | -166 | -158.9 | 127.9 | 0 | 0 | 111.2 | K659 K665 T666 R667 | K659-E663 WeakPolarHBondContact O-CB 3.29Å; K659-E663 PolarHBondContact O-N 3.19Å; E663-K665 VanDerWaalsContact C-N 3.34Å; E663-K665 PolarHBondContact O-N 2.89Å; E663-T666 PolarHBondContact O-N 2.76Å; E663-R667 WeakPolarHBondContact O-CB 3.21Å; E663-R667 WeakPolarHBondContact O-CG 3.48Å; E663-R667 PolarHBondContact O-N 3.45Å; E663-R667 IonicContact OE1-NE 3.64Å |
| 664 | L | 96.3 | Very high | 89.8 | Confident | 79 Ų | 79 | 101.4 Ų | 101.4 | 41% | 0.414 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 174.5 | 178.6 | 62.8 | 0 | 0 | 0 | 111.2 | T660 L661 A662 R667 V668 | T660-L664 WeakPolarHBondContact O-CB 3.44Å; T660-L664 PolarHBondContact O-N 3.24Å; L661-L664 PolarHBondContact O-N 3.36Å; A662-L664 VanDerWaalsContact C-N 3.35Å; A662-L664 PolarHBondContact O-N 3.46Å; L664-R667 PolarHBondContact O-N 2.81Å; L664-V668 HydrophobicContact CD1-CG2 4.04Å; L664-V668 HydrophobicContact CG-CG2 4.3Å; L664-V668 VanDerWaalsContact O-CB 3.32Å; L664-V668 WeakPolarHBondContact O-CB 3.28Å; L664-V668 VanDerWaalsContact O-CG2 3.24Å; L664-V668 WeakPolarHBondContact O-CG2 3.35Å; L664-V668 PolarHBondContact O-N 3.44Å |
| 665 | K | 93.4 | Very high | 89.2 | Confident | 149 Ų | 149 | 107.2 Ų | 107.2 | 65% | 0.648 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.8 | -47.5 | 177 | -175.5 | 179.2 | 177.5 | -176.6 | 0 | 111.2 | L661 A662 E663 V668 E669 | L661-K665 VanDerWaalsContact O-CB 3.28Å; L661-K665 WeakPolarHBondContact O-CB 3.24Å; L661-K665 PolarHBondContact O-N 2.93Å; A662-K665 WeakPolarHBondContact O-CB 3.5Å; A662-K665 PolarHBondContact O-N 3.2Å; E663-K665 VanDerWaalsContact C-N 3.34Å; E663-K665 PolarHBondContact O-N 2.89Å; K665-V668 PolarHBondContact O-N 2.65Å; K665-E669 WeakPolarHBondContact O-CB 3.46Å; K665-E669 PolarHBondContact O-N 2.99Å |
| 666 | T | 93.5 | Very high | 88.4 | Confident | 88 Ų | 88 | 112.5 Ų | 112.5 | 54% | 0.54 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | A662 E663 K670 | A662-T666 PolarHBondContact O-N 3.46Å; A662-T666 PolarHBondContact O-OG1 2.79Å; E663-T666 PolarHBondContact O-N 2.76Å; T666-K670 WeakPolarHBondContact O-CB 3.34Å; T666-K670 PolarHBondContact O-N 3.28Å |
| 667 | R | 93.4 | Very high | 88 | Confident | 126 Ų | 126 | 113.6 Ų | 113.6 | 48% | 0.475 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 173.1 | -70.7 | -167.7 | -49.7 | 115.3 | 5.6 | 111.6 | E663 L664 K670 I671 | E663-R667 WeakPolarHBondContact O-CB 3.21Å; E663-R667 WeakPolarHBondContact O-CG 3.48Å; E663-R667 PolarHBondContact O-N 3.45Å; E663-R667 IonicContact OE1-NE 3.64Å; L664-R667 PolarHBondContact O-N 2.81Å; R667-K670 PolarHBondContact O-N 2.93Å; R667-I671 WeakPolarHBondContact O-CB 3.21Å; R667-I671 WeakPolarHBondContact O-CD1 3.4Å; R667-I671 WeakPolarHBondContact O-CG1 3.45Å; R667-I671 PolarHBondContact O-N 3.05Å |
| 668 | V | 88.8 | Confident | 87.8 | Confident | 78 Ų | 78 | 115 Ų | 115 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -50.2 | 174.4 | 166.1 | 0 | 0 | 0 | 0 | 109.6 | L664 K665 K670 I671 E672 | L664-V668 HydrophobicContact CD1-CG2 4.04Å; L664-V668 HydrophobicContact CG-CG2 4.3Å; L664-V668 VanDerWaalsContact O-CB 3.32Å; L664-V668 WeakPolarHBondContact O-CB 3.28Å; L664-V668 VanDerWaalsContact O-CG2 3.24Å; L664-V668 WeakPolarHBondContact O-CG2 3.35Å; L664-V668 PolarHBondContact O-N 3.44Å; K665-V668 PolarHBondContact O-N 2.65Å; V668-K670 VanDerWaalsContact C-N 3.29Å; V668-K670 PolarHBondContact O-N 2.69Å; V668-I671 CarbonylContact O-C 3.6Å; V668-I671 PolarHBondContact O-N 3.01Å; V668-E672 WeakPolarHBondContact O-CA 3.44Å; V668-E672 WeakPolarHBondContact O-CB 3.11Å; V668-E672 PolarHBondContact O-N 3.36Å |
| 669 | E | 86.4 | Confident | 87.5 | Confident | 139 Ų | 139 | 113 Ų | 113 | 65% | 0.65 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.1 | -35.3 | 176.9 | -176.1 | 171.9 | -162.9 | 0 | 0 | 113.2 | K665 I671 | K665-E669 WeakPolarHBondContact O-CB 3.46Å; K665-E669 PolarHBondContact O-N 2.99Å; E669-I671 VanDerWaalsContact C-N 3.35Å |
| 670 | K | 83.9 | Confident | 87.3 | Confident | 179 Ų | 179 | 109.9 Ų | 109.9 | 78% | 0.778 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.7 | -24.9 | 175.4 | -170 | 169.7 | -176.6 | 172.2 | 0 | 113.4 | T666 R667 V668 | T666-K670 WeakPolarHBondContact O-CB 3.34Å; T666-K670 PolarHBondContact O-N 3.28Å; R667-K670 PolarHBondContact O-N 2.93Å; V668-K670 VanDerWaalsContact C-N 3.29Å; V668-K670 PolarHBondContact O-N 2.69Å |
| 671 | I | 80.8 | Confident | 87.2 | Confident | 126 Ų | 126 | 111.6 Ų | 111.6 | 65% | 0.646 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -89.2 | -42 | 175.7 | -69.6 | 164.6 | 0 | 0 | 0 | 110.9 | R667 V668 E669 C673 | R667-I671 WeakPolarHBondContact O-CB 3.21Å; R667-I671 WeakPolarHBondContact O-CD1 3.4Å; R667-I671 WeakPolarHBondContact O-CG1 3.45Å; R667-I671 PolarHBondContact O-N 3.05Å; V668-I671 CarbonylContact O-C 3.6Å; V668-I671 PolarHBondContact O-N 3.01Å; E669-I671 VanDerWaalsContact C-N 3.35Å; I671-C673 VanDerWaalsContact C-N 3.35Å; I671-C673 WeakPolarHBondContact O-CB 3.31Å; I671-C673 PolarHBondContact O-N 3.31Å |
| 672 | E | 75.5 | Confident | 87.1 | Confident | 92 Ų | 92 | 110 Ų | 110 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -69.6 | 87.8 | -179.3 | -180 | 47.4 | -98.8 | 0 | 0 | 109 | V668 N674 H677 | V668-E672 WeakPolarHBondContact O-CA 3.44Å; V668-E672 WeakPolarHBondContact O-CB 3.11Å; V668-E672 PolarHBondContact O-N 3.36Å; E672-N674 PolarHBondContact O-N 2.66Å; E672-H677 IonicContact OE1-CE1 3.52Å; E672-H677 IonicContact OE1-ND1 2.7Å; E672-H677 PolarHBondContact OE1-ND1 2.77Å |
| 673 | C | 65.8 | Low | 87.2 | Confident | 25 Ų | 25 | 112 Ų | 112 | 17% | 0.169 | 55% | 0.546 | C | S | . | . | | | trans | -86 | 51 | -156.1 | -140.7 | 0 | 0 | 0 | 0 | 112.7 | I671 K675 R676 H677 | I671-C673 VanDerWaalsContact C-N 3.35Å; I671-C673 WeakPolarHBondContact O-CB 3.31Å; I671-C673 PolarHBondContact O-N 3.31Å; C673-K675 PolarHBondContact O-N 2.95Å; C673-R676 HydrophobicContact CB-CB 4.17Å; C673-R676 CarbonylContact O-C 3.56Å; C673-R676 WeakPolarHBondContact O-CA 3.43Å; C673-R676 PolarHBondContact O-N 2.8Å; C673-R676 PolarHBondContact SG-NE 2.8Å; C673-H677 PolarHBondContact O-N 3.3Å |
| 674 | N | 68.8 | Low | 87.3 | Confident | 112 Ų | 112 | 111 Ų | 111 | 60% | 0.599 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -42.5 | -40.2 | 175.2 | -94.1 | -56.6 | 0 | 0 | 0 | 112.8 | E672 H677 K678 | E672-N674 PolarHBondContact O-N 2.66Å; N674-H677 PolarHBondContact O-N 3.03Å; N674-K678 WeakPolarHBondContact O-CB 3.43Å; N674-K678 PolarHBondContact O-N 2.88Å |
| 675 | K | 79.6 | Confident | 87.3 | Confident | 193 Ų | 193 | 113.3 Ų | 113.3 | 84% | 0.839 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.7 | -37.1 | 176.3 | -161.3 | 166.4 | -175.3 | 171.6 | 0 | 113.5 | C673 A679 | C673-K675 PolarHBondContact O-N 2.95Å; K675-A679 WeakPolarHBondContact O-CB 3.5Å; K675-A679 PolarHBondContact O-N 3.43Å |
| 676 | R | 78.9 | Confident | 87.5 | Confident | 168 Ų | 168 | 107.8 Ų | 107.8 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.5 | -42 | 170.8 | -77.9 | -167.7 | -66.7 | 153.8 | 3.5 | 111.9 | C673 A679 V680 | C673-R676 HydrophobicContact CB-CB 4.17Å; C673-R676 CarbonylContact O-C 3.56Å; C673-R676 WeakPolarHBondContact O-CA 3.43Å; C673-R676 PolarHBondContact O-N 2.8Å; C673-R676 PolarHBondContact SG-NE 2.8Å; R676-A679 PolarHBondContact O-N 3.07Å; R676-V680 WeakPolarHBondContact O-CG2 3.31Å; R676-V680 PolarHBondContact O-N 2.8Å |
| 677 | H | 88.3 | Confident | 87.7 | Confident | 105 Ų | 105 | 108.2 Ų | 108.2 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 179.6 | -61.2 | 158.7 | 0 | 0 | 0 | 111.1 | E672 C673 N674 A679 V680 L681 | E672-H677 IonicContact OE1-CE1 3.52Å; E672-H677 IonicContact OE1-ND1 2.7Å; E672-H677 PolarHBondContact OE1-ND1 2.77Å; C673-H677 PolarHBondContact O-N 3.3Å; N674-H677 PolarHBondContact O-N 3.03Å; H677-A679 PolarHBondContact O-N 2.82Å; H677-V680 PolarHBondContact O-N 3.45Å; H677-L681 VanDerWaalsContact O-CB 3.31Å; H677-L681 WeakPolarHBondContact O-CB 3.37Å; H677-L681 PolarHBondContact O-N 3.48Å |
| 678 | K | 90.3 | Very high | 87.9 | Confident | 156 Ų | 156 | 106.8 Ų | 106.8 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 172.5 | -170.7 | 171 | -177 | 174.2 | 0 | 112.2 | N674 L681 T682 | N674-K678 WeakPolarHBondContact O-CB 3.43Å; N674-K678 PolarHBondContact O-N 2.88Å; K678-L681 PolarHBondContact O-N 2.86Å; K678-T682 WeakPolarHBondContact O-CG2 3.36Å; K678-T682 PolarHBondContact O-N 3.26Å; K678-T682 PolarHBondContact O-OG1 3.28Å |
| 679 | A | 90.8 | Very high | 88.3 | Confident | 54 Ų | 54 | 105.9 Ų | 105.9 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K675 R676 H677 T682 E683 | K675-A679 WeakPolarHBondContact O-CB 3.5Å; K675-A679 PolarHBondContact O-N 3.43Å; R676-A679 PolarHBondContact O-N 3.07Å; H677-A679 PolarHBondContact O-N 2.82Å; A679-T682 PolarHBondContact O-OG1 2.81Å; A679-E683 WeakPolarHBondContact O-CB 3.29Å; A679-E683 PolarHBondContact O-N 3.18Å |
| 680 | V | 94.1 | Very high | 88.8 | Confident | 91 Ų | 91 | 107 Ų | 107 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67 | -38.2 | 173.9 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | R676 H677 E683 L684 | R676-V680 WeakPolarHBondContact O-CG2 3.31Å; R676-V680 PolarHBondContact O-N 2.8Å; H677-V680 PolarHBondContact O-N 3.45Å; V680-E683 PolarHBondContact O-N 2.87Å; V680-L684 VanDerWaalsContact O-CB 3.25Å; V680-L684 WeakPolarHBondContact O-CB 2.99Å; V680-L684 PolarHBondContact O-N 3.23Å |
| 681 | L | 95 | Very high | 89.4 | Confident | 110 Ų | 110 | 104.3 Ų | 104.3 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -47 | 176.4 | -175.5 | 64.9 | 0 | 0 | 0 | 111.7 | H677 K678 L684 Q685 | H677-L681 VanDerWaalsContact O-CB 3.31Å; H677-L681 WeakPolarHBondContact O-CB 3.37Å; H677-L681 PolarHBondContact O-N 3.48Å; K678-L681 PolarHBondContact O-N 2.86Å; L681-L684 PolarHBondContact O-N 3.07Å; L681-Q685 WeakPolarHBondContact O-CB 3.11Å; L681-Q685 PolarHBondContact O-N 3.24Å |
| 682 | T | 95.1 | Very high | 90.2 | Very high | 74 Ų | 74 | 102.6 Ų | 102.6 | 45% | 0.454 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -35.1 | 177 | 56 | 0 | 0 | 0 | 0 | 112.2 | K678 A679 Q685 A686 | K678-T682 WeakPolarHBondContact O-CG2 3.36Å; K678-T682 PolarHBondContact O-N 3.26Å; K678-T682 PolarHBondContact O-OG1 3.28Å; A679-T682 PolarHBondContact O-OG1 2.81Å; T682-Q685 PolarHBondContact O-N 3.45Å; T682-A686 VanDerWaalsContact O-CB 3.29Å; T682-A686 WeakPolarHBondContact O-CB 3.25Å; T682-A686 PolarHBondContact O-N 3.38Å |
| 683 | E | 96.5 | Very high | 91.2 | Very high | 96 Ų | 96 | 106.5 Ų | 106.5 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 173 | -156.9 | -144.9 | 171.7 | 0 | 0 | 111.8 | A679 V680 A686 K687 | A679-E683 WeakPolarHBondContact O-CB 3.29Å; A679-E683 PolarHBondContact O-N 3.18Å; V680-E683 PolarHBondContact O-N 2.87Å; E683-A686 PolarHBondContact O-N 3.35Å; E683-K687 WeakPolarHBondContact O-CB 3.35Å; E683-K687 VanDerWaalsContact O-CG 3.27Å; E683-K687 WeakPolarHBondContact O-CG 3.27Å; E683-K687 PolarHBondContact O-N 2.73Å; E683-K687 WeakPolarHBondContact OE1-CE 3.4Å; E683-K687 IonicContact OE1-NZ 3.67Å; E683-K687 PolarHBondContact OE1-NZ 3.46Å; E683-K687 IonicContact OE2-NZ 2.73Å; E683-K687 PolarHBondContact OE2-NZ 3.4Å |
| 684 | L | 97.8 | Very high | 92.5 | Very high | 91 Ų | 91 | 115 Ų | 115 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.3 | -44.9 | 174.6 | -177.8 | 62 | 0 | 0 | 0 | 111.5 | V680 L681 A686 K687 I688 | V680-L684 VanDerWaalsContact O-CB 3.25Å; V680-L684 WeakPolarHBondContact O-CB 2.99Å; V680-L684 PolarHBondContact O-N 3.23Å; L681-L684 PolarHBondContact O-N 3.07Å; L684-A686 VanDerWaalsContact C-N 3.32Å; L684-A686 PolarHBondContact O-N 2.67Å; L684-K687 WeakPolarHBondContact O-CB 3.46Å; L684-K687 PolarHBondContact O-N 3.16Å; L684-K687 VanDerWaalsContact O-N 3.14Å; L684-I688 HydrophobicContact CG-CD1 4.15Å; L684-I688 WeakPolarHBondContact O-CG1 3.46Å; L684-I688 PolarHBondContact O-N 3.48Å |
| 685 | Q | 97.7 | Very high | 93.7 | Very high | 128 Ų | 128 | 116.8 Ų | 116.8 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.6 | -41.1 | 174.6 | -169.1 | 177.1 | 5.7 | 0 | 0 | 111.3 | L681 T682 I688 A689 | L681-Q685 WeakPolarHBondContact O-CB 3.11Å; L681-Q685 PolarHBondContact O-N 3.24Å; T682-Q685 PolarHBondContact O-N 3.45Å; Q685-I688 PolarHBondContact O-N 3.31Å; Q685-A689 WeakPolarHBondContact O-CB 3.36Å; Q685-A689 PolarHBondContact O-N 3.02Å |
| 686 | A | 97.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 108.7 Ų | 108.7 | 27% | 0.273 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T682 E683 L684 R690 | T682-A686 VanDerWaalsContact O-CB 3.29Å; T682-A686 WeakPolarHBondContact O-CB 3.25Å; T682-A686 PolarHBondContact O-N 3.38Å; E683-A686 PolarHBondContact O-N 3.35Å; L684-A686 VanDerWaalsContact C-N 3.32Å; L684-A686 PolarHBondContact O-N 2.67Å; A686-R690 WeakPolarHBondContact O-CB 3.29Å; A686-R690 WeakPolarHBondContact O-CD 3.18Å; A686-R690 WeakPolarHBondContact O-CG 3.43Å; A686-R690 PolarHBondContact O-N 2.97Å |
| 687 | K | 97.8 | Very high | 94.8 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 172.2 | -76.6 | 163.2 | 179.8 | 165.1 | 0 | 111.4 | E683 L684 R690 L691 | E683-K687 WeakPolarHBondContact O-CB 3.35Å; E683-K687 VanDerWaalsContact O-CG 3.27Å; E683-K687 WeakPolarHBondContact O-CG 3.27Å; E683-K687 PolarHBondContact O-N 2.73Å; E683-K687 WeakPolarHBondContact OE1-CE 3.4Å; E683-K687 IonicContact OE1-NZ 3.67Å; E683-K687 PolarHBondContact OE1-NZ 3.46Å; E683-K687 IonicContact OE2-NZ 2.73Å; E683-K687 PolarHBondContact OE2-NZ 3.4Å; L684-K687 WeakPolarHBondContact O-CB 3.46Å; L684-K687 PolarHBondContact O-N 3.16Å; L684-K687 VanDerWaalsContact O-N 3.14Å; K687-R690 PolarHBondContact O-N 3.21Å; K687-L691 WeakPolarHBondContact O-CB 3.37Å; K687-L691 PolarHBondContact O-N 2.97Å |
| 688 | I | 97.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -51.1 | 174.7 | -68.1 | 163.8 | 0 | 0 | 0 | 110.1 | L684 Q685 R690 L691 T692 | L684-I688 HydrophobicContact CG-CD1 4.15Å; L684-I688 WeakPolarHBondContact O-CG1 3.46Å; L684-I688 PolarHBondContact O-N 3.48Å; Q685-I688 PolarHBondContact O-N 3.31Å; I688-R690 VanDerWaalsContact C-N 3.33Å; I688-R690 PolarHBondContact O-N 2.85Å; I688-L691 CarbonylContact O-C 3.57Å; I688-L691 WeakPolarHBondContact O-CB 3.44Å; I688-L691 PolarHBondContact O-N 2.9Å; I688-T692 PolarHBondContact O-N 3.14Å; I688-T692 PolarHBondContact O-OG1 2.88Å; I688-T692 VanDerWaalsContact O-OG1 3.13Å |
| 689 | A | 96.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q685 T692 K693 | Q685-A689 WeakPolarHBondContact O-CB 3.36Å; Q685-A689 PolarHBondContact O-N 3.02Å; A689-T692 PolarHBondContact O-N 3.45Å; A689-K693 WeakPolarHBondContact O-CB 3.42Å; A689-K693 PolarHBondContact O-N 3.47Å |
| 690 | R | 96.6 | Very high | 94.5 | Very high | 161 Ų | 161 | 100.1 Ų | 100.1 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 173.6 | -72.1 | 164.5 | -174.4 | 159.9 | 1.9 | 112 | A686 K687 I688 R694 | A686-R690 WeakPolarHBondContact O-CB 3.29Å; A686-R690 WeakPolarHBondContact O-CD 3.18Å; A686-R690 WeakPolarHBondContact O-CG 3.43Å; A686-R690 PolarHBondContact O-N 2.97Å; K687-R690 PolarHBondContact O-N 3.21Å; I688-R690 VanDerWaalsContact C-N 3.33Å; I688-R690 PolarHBondContact O-N 2.85Å; R690-R694 WeakPolarHBondContact O-CB 3.33Å; R690-R694 WeakPolarHBondContact O-CG 3.14Å; R690-R694 PolarHBondContact O-N 3.41Å |
| 691 | L | 97.4 | Very high | 94 | Very high | 123 Ų | 123 | 100.1 Ų | 100.1 | 64% | 0.644 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -47.5 | 176.4 | -178.6 | 60.6 | 0 | 0 | 0 | 111.2 | K687 I688 K693 R694 F695 | K687-L691 WeakPolarHBondContact O-CB 3.37Å; K687-L691 PolarHBondContact O-N 2.97Å; I688-L691 CarbonylContact O-C 3.57Å; I688-L691 WeakPolarHBondContact O-CB 3.44Å; I688-L691 PolarHBondContact O-N 2.9Å; L691-K693 PolarHBondContact O-N 2.91Å; L691-R694 CarbonylContact O-C 3.56Å; L691-R694 PolarHBondContact O-N 3.46Å; L691-R694 VanDerWaalsContact O-N 3.15Å; L691-F695 WeakPolarHBondContact O-CB 3.34Å; L691-F695 PolarHBondContact O-N 2.88Å |
| 692 | T | 96.4 | Very high | 93.6 | Very high | 91 Ų | 91 | 100.2 Ų | 100.2 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -43.9 | 175.6 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | I688 A689 R694 F695 G696 | I688-T692 PolarHBondContact O-N 3.14Å; I688-T692 PolarHBondContact O-OG1 2.88Å; I688-T692 VanDerWaalsContact O-OG1 3.13Å; A689-T692 PolarHBondContact O-N 3.45Å; T692-R694 VanDerWaalsContact C-N 3.35Å; T692-R694 PolarHBondContact O-N 2.87Å; T692-F695 PolarHBondContact O-N 3.44Å; T692-G696 PolarHBondContact O-N 3.46Å |
| 693 | K | 96 | Very high | 92.9 | Very high | 174 Ų | 174 | 102.2 Ų | 102.2 | 76% | 0.757 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -38.8 | 175.2 | -171.9 | 167.2 | -175 | 168.3 | 0 | 112.4 | A689 L691 A697 | A689-K693 WeakPolarHBondContact O-CB 3.42Å; A689-K693 PolarHBondContact O-N 3.47Å; L691-K693 PolarHBondContact O-N 2.91Å; K693-A697 WeakPolarHBondContact O-CB 3.33Å; K693-A697 PolarHBondContact O-N 3.34Å; K693-A697 VanDerWaalsContact O-N 3.09Å |
| 694 | R | 94.4 | Very high | 92 | Very high | 202 Ų | 202 | 104.8 Ų | 104.8 | 76% | 0.762 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.7 | -35.9 | 175.1 | -69.5 | -111.9 | -80.6 | -177 | -6.4 | 112.4 | R690 L691 T692 A698 | R690-R694 WeakPolarHBondContact O-CB 3.33Å; R690-R694 WeakPolarHBondContact O-CG 3.14Å; R690-R694 PolarHBondContact O-N 3.41Å; L691-R694 CarbonylContact O-C 3.56Å; L691-R694 PolarHBondContact O-N 3.46Å; L691-R694 VanDerWaalsContact O-N 3.15Å; T692-R694 VanDerWaalsContact C-N 3.35Å; T692-R694 PolarHBondContact O-N 2.87Å; R694-A698 VanDerWaalsContact O-CB 3.29Å; R694-A698 WeakPolarHBondContact O-CB 3.39Å; R694-A698 PolarHBondContact O-N 2.86Å |
| 695 | F | 94.1 | Very high | 90.7 | Very high | 151 Ų | 151 | 109.2 Ų | 109.2 | 66% | 0.662 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.8 | -39.1 | 177.1 | -165.3 | -96.9 | 0 | 0 | 0 | 111.9 | L691 T692 A698 K699 | L691-F695 WeakPolarHBondContact O-CB 3.34Å; L691-F695 PolarHBondContact O-N 2.88Å; T692-F695 PolarHBondContact O-N 3.44Å; F695-A698 PolarHBondContact O-N 3.46Å; F695-K699 WeakPolarHBondContact O-CB 3.29Å; F695-K699 PolarHBondContact O-N 2.95Å |
| 696 | G | 93 | Very high | 89.2 | Confident | 23 Ų | 23 | 110.8 Ų | 110.8 | 24% | 0.237 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -57.3 | -57.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | T692 A698 K699 D700 | T692-G696 PolarHBondContact O-N 3.46Å; G696-A698 VanDerWaalsContact C-N 3.27Å; G696-A698 PolarHBondContact O-N 3.46Å; G696-K699 WeakPolarHBondContact O-CA 3.37Å; G696-K699 WeakPolarHBondContact O-CB 3.45Å; G696-K699 PolarHBondContact O-N 3.33Å; G696-D700 VanDerWaalsContact O-CG 3.32Å; G696-D700 PolarHBondContact O-N 3.5Å |
| 697 | A | 87.9 | Confident | 87.4 | Confident | 62 Ų | 62 | 116.5 Ų | 116.5 | 51% | 0.512 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -56.7 | -37.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K693 D700 D701 | K693-A697 WeakPolarHBondContact O-CB 3.33Å; K693-A697 PolarHBondContact O-N 3.34Å; K693-A697 VanDerWaalsContact O-N 3.09Å; A697-D700 PolarHBondContact O-N 2.85Å; A697-D701 PolarHBondContact O-N 2.82Å |
| 698 | A | 87.3 | Confident | 85.2 | Confident | 60 Ų | 60 | 115.8 Ų | 115.8 | 50% | 0.496 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.7 | -36.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | R694 F695 G696 D700 L702 | R694-A698 VanDerWaalsContact O-CB 3.29Å; R694-A698 WeakPolarHBondContact O-CB 3.39Å; R694-A698 PolarHBondContact O-N 2.86Å; F695-A698 PolarHBondContact O-N 3.46Å; G696-A698 VanDerWaalsContact C-N 3.27Å; G696-A698 PolarHBondContact O-N 3.46Å; A698-D700 VanDerWaalsContact C-N 3.32Å; A698-L702 VanDerWaalsContact O-CB 3.29Å; A698-L702 WeakPolarHBondContact O-CB 3.46Å; A698-L702 PolarHBondContact O-N 3Å |
| 699 | K | 87.6 | Confident | 83.3 | Confident | 110 Ų | 110 | 116.3 Ų | 116.3 | 48% | 0.478 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -36.2 | 173.3 | -170.9 | -175 | 68.8 | 177.1 | 0 | 111.4 | F695 G696 L702 K703 | F695-K699 WeakPolarHBondContact O-CB 3.29Å; F695-K699 PolarHBondContact O-N 2.95Å; G696-K699 WeakPolarHBondContact O-CA 3.37Å; G696-K699 WeakPolarHBondContact O-CB 3.45Å; G696-K699 PolarHBondContact O-N 3.33Å; K699-L702 PolarHBondContact O-N 2.79Å; K699-K703 WeakPolarHBondContact O-CG 3.29Å; K699-K703 PolarHBondContact O-N 3.13Å |
| 700 | D | 87.7 | Confident | 81.4 | Confident | 71 Ų | 71 | 119.5 Ų | 119.5 | 38% | 0.38 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -79.6 | -30.9 | -179.5 | -59.7 | -33.9 | 0 | 0 | 0 | 112.4 | G696 A697 A698 K704 | G696-D700 VanDerWaalsContact O-CG 3.32Å; G696-D700 PolarHBondContact O-N 3.5Å; A697-D700 PolarHBondContact O-N 2.85Å; A698-D700 VanDerWaalsContact C-N 3.32Å; D700-K704 WeakPolarHBondContact O-CG 3.49Å; D700-K704 PolarHBondContact O-N 3.43Å |
| 701 | D | 83.6 | Confident | 79 | Confident | 90 Ų | 90 | 119.4 Ų | 119.4 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.7 | -42.6 | 165.4 | -173.4 | 72.4 | 0 | 0 | 0 | 111.6 | A697 K703 K704 R705 | A697-D701 PolarHBondContact O-N 2.82Å; D701-K703 VanDerWaalsContact C-N 3.35Å; D701-K703 PolarHBondContact O-N 2.95Å; D701-K704 PolarHBondContact O-N 3.15Å; D701-R705 WeakPolarHBondContact O-CB 3.4Å; D701-R705 WeakPolarHBondContact O-CG 3.49Å; D701-R705 PolarHBondContact O-N 3.44Å; D701-R705 IonicContact OD2-NE 3.46Å |
| 702 | L | 86.3 | Confident | 76.6 | Confident | 113 Ų | 113 | 118.5 Ų | 118.5 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.2 | -44.2 | 175.6 | 178.9 | 61.8 | 0 | 0 | 0 | 111.7 | A698 K699 R705 Q706 | A698-L702 VanDerWaalsContact O-CB 3.29Å; A698-L702 WeakPolarHBondContact O-CB 3.46Å; A698-L702 PolarHBondContact O-N 3Å; K699-L702 PolarHBondContact O-N 2.79Å; L702-R705 PolarHBondContact O-N 3.06Å; L702-Q706 WeakPolarHBondContact O-CB 3.36Å; L702-Q706 PolarHBondContact O-N 2.92Å |
| 703 | K | 82.2 | Confident | 74.4 | Confident | 116 Ų | 116 | 120.1 Ų | 120.1 | 50% | 0.504 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -58.6 | -51.9 | 172 | -77.9 | 176.7 | 169.3 | -168.8 | 0 | 111.8 | K699 D701 R705 Q706 E707 | K699-K703 WeakPolarHBondContact O-CG 3.29Å; K699-K703 PolarHBondContact O-N 3.13Å; D701-K703 VanDerWaalsContact C-N 3.35Å; D701-K703 PolarHBondContact O-N 2.95Å; K703-R705 PolarHBondContact O-N 3.09Å; K703-Q706 CarbonylContact O-C 3.56Å; K703-Q706 WeakPolarHBondContact O-CA 3.4Å; K703-Q706 WeakPolarHBondContact O-CB 3.49Å; K703-Q706 PolarHBondContact O-N 3.26Å; K703-E707 WeakPolarHBondContact O-CB 3.49Å; K703-E707 PolarHBondContact O-N 3.22Å |
| 704 | K | 76.8 | Confident | 71.6 | Confident | 150 Ų | 150 | 119.8 Ų | 119.8 | 65% | 0.652 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.6 | -32 | -179.8 | -74.4 | 174.8 | 179.2 | -177.4 | 0 | 113.2 | D700 D701 | D700-K704 WeakPolarHBondContact O-CG 3.49Å; D700-K704 PolarHBondContact O-N 3.43Å; D701-K704 PolarHBondContact O-N 3.15Å |
| 705 | R | 69.8 | Low | 69.2 | Low | 183 Ų | 183 | 115.4 Ų | 115.4 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74 | -25.3 | 171.7 | -77.4 | -176.1 | 161.7 | -78.8 | -2.2 | 114.3 | D701 L702 K703 S708 | D701-R705 WeakPolarHBondContact O-CB 3.4Å; D701-R705 WeakPolarHBondContact O-CG 3.49Å; D701-R705 PolarHBondContact O-N 3.44Å; D701-R705 IonicContact OD2-NE 3.46Å; L702-R705 PolarHBondContact O-N 3.06Å; K703-R705 PolarHBondContact O-N 3.09Å; R705-S708 PolarHBondContact O-OG 2.84Å |
| 706 | Q | 66.3 | Low | 67.1 | Low | 161 Ų | 161 | 114.1 Ų | 114.1 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -82.7 | -26.2 | 175.1 | -168.8 | 171.3 | 8.5 | 0 | 0 | 112 | L702 K703 | L702-Q706 WeakPolarHBondContact O-CB 3.36Å; L702-Q706 PolarHBondContact O-N 2.92Å; K703-Q706 CarbonylContact O-C 3.56Å; K703-Q706 WeakPolarHBondContact O-CA 3.4Å; K703-Q706 WeakPolarHBondContact O-CB 3.49Å; K703-Q706 PolarHBondContact O-N 3.26Å |
| 707 | E | 60.4 | Low | 64.1 | Low | 154 Ų | 154 | 116.8 Ų | 116.8 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -82.9 | -12 | -177.9 | -165.1 | 166.9 | -164.5 | 0 | 0 | 113.9 | K703 P709 | K703-E707 WeakPolarHBondContact O-CB 3.49Å; K703-E707 PolarHBondContact O-N 3.22Å; E707-P709 WeakPolarHBondContact O-CD 3.33Å |
| 708 | S | 51.7 | Low | 62.2 | Low | 81 Ų | 81 | 123.4 Ų | 123.4 | 57% | 0.566 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -93 | 103.8 | 175.2 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | R705 | R705-S708 PolarHBondContact O-OG 2.84Š|
| 709 | P | 57.8 | Low | 60.7 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | | | trans | -73.9 | 151.8 | 179.4 | 30.5 | -36.3 | 0 | 0 | 0 | 112.8 | E707 N711 | E707-P709 WeakPolarHBondContact O-CD 3.33Å; P709-N711 PolarHBondContact O-N 3.44Å |
| 710 | P | 55.8 | Low | 58.1 | Low | 127 Ų | 127 | 125 Ų | 125 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | | | trans | -79.3 | 102.6 | -177.5 | 31.3 | -34.4 | 0 | 0 | 0 | 112.3 | | |
| 711 | N | 45.7 | Very low | 55.7 | Low | 158 Ų | 158 | 128.2 Ų | 128.2 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 128 | 166 | -99.2 | -42.2 | 0 | 0 | 0 | 110.6 | P709 | P709-N711 PolarHBondContact O-N 3.44Š|
| 712 | P | 48.4 | Very low | 53.3 | Low | 104 Ų | 104 | 130.5 Ų | 130.5 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 132 | -175 | 30.2 | -34.3 | 0 | 0 | 0 | 112.3 | I714 | P712-I714 PolarHBondContact O-N 2.97Š|
| 713 | P | 49.4 | Very low | 51.2 | Low | 126 Ų | 126 | 131.3 Ų | 131.3 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 120.6 | 174.2 | 29.1 | -33 | 0 | 0 | 0 | 111.1 | S715 | P713-S715 PolarHBondContact O-N 2.9Š|
| 714 | I | 37.6 | Very low | 48.9 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 127.1 | 173 | -63.2 | 172.1 | 0 | 0 | 0 | 109.3 | P712 | P712-I714 PolarHBondContact O-N 2.97Š|
| 715 | S | 44.8 | Very low | 47.1 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | -109.8 | 140.9 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | P713 | P713-S715 PolarHBondContact O-N 2.9Š|
| 716 | P | 49 | Very low | 45.4 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | trans | -136.6 | 141.8 | 145.5 | 35.6 | -22.2 | 0 | 0 | 0 | 113 | | |
| 717 | G | 30.5 | Very low | 44.3 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | | | trans | 158.5 | 30.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 718 | K | 46.8 | Very low | 43.5 | Very low | 201 Ų | 201 | 128 Ų | 128 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -58.7 | 173.5 | 178.9 | -137.4 | -168.4 | -179.9 | -180 | 0 | 113.9 | | |
| 719 | P | 57.6 | Low | 42.7 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | -129.9 | -171.6 | -79.9 | 44.7 | -30.4 | 0 | 0 | 0 | 113.7 | | |
| 720 | A | 32.4 | Very low | 42.2 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | trans | -157.9 | 129.6 | 149 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 721 | N | 36.4 | Very low | 41 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | 21.5 | 152.5 | 148.4 | -69.7 | 40.5 | 0 | 0 | 0 | 122.8 | | |
| 722 | D | 34 | Very low | 41 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | cis | -148.4 | 173.2 | 9.5 | -131.4 | -40 | 0 | 0 | 0 | 114.9 | | |
| 723 | T | 40.9 | Very low | 40.6 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -95.1 | 133.4 | -168.6 | -53.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 724 | N | 35.1 | Very low | 40.5 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -148.6 | 147.2 | 139.7 | -160.5 | 10.2 | 0 | 0 | 0 | 112.2 | | |
| 725 | S | 37.7 | Very low | 41 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 50% | 0.503 | 77% | 0.765 | S | S | . | * | | | trans | -90 | 140.5 | 179 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 726 | N | 35.6 | Very low | 41.7 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | | -171 | 144.4 | 112.7 | -86.2 | -20.1 | 0 | 0 | 0 | 111.4 | | |
| 727 | N | 43.2 | Very low | 41.8 | Very low | 160 Ų | 160 | 132 Ų | 132 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | | | trans | -85 | 165.5 | -169.7 | -80.8 | -57.2 | 0 | 0 | 0 | 113.9 | | |
| 728 | N | 43.1 | Very low | 43.1 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | | | trans | 74.9 | 88.3 | 175.6 | -168.1 | 18.8 | 0 | 0 | 0 | 116.6 | | |
| 729 | M | 34.2 | Very low | 43.7 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | | | trans | -139.7 | 131.5 | 136.9 | -170.4 | 57.8 | 179.8 | 0 | 0 | 110.1 | Y731 | M729-Y731 PolarHBondContact O-N 3Š|
| 730 | T | 47.4 | Very low | 43.7 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | | | trans | -57.1 | 129.2 | -178.6 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 731 | Y | 31.6 | Very low | 45 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | | | trans | -126.4 | 129.7 | -178.5 | -138.8 | -123 | 0 | 0 | 0 | 114.5 | M729 | M729-Y731 PolarHBondContact O-N 3Š|
| 732 | R | 45.8 | Very low | 46 | Very low | 203 Ų | 203 | 133.7 Ų | 133.7 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | | | trans | 59.2 | 80.6 | 167 | -67.5 | -176.6 | 177.5 | -165.9 | -2.9 | 117.9 | A734 | R732-A734 PolarHBondContact O-N 2.96Š|
| 733 | N | 39.6 | Very low | 46.8 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | | | trans | -43.2 | 131.4 | 136.9 | -73.4 | -71.3 | 0 | 0 | 0 | 111.4 | | |
| 734 | A | 46.8 | Very low | 47.4 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | | | trans | -113.4 | 56.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R732 | R732-A734 PolarHBondContact O-N 2.96Š|
| 735 | G | 49.6 | Very low | 48.1 | Very low | 48 Ų | 48 | 137.9 Ų | 137.9 | 50% | 0.495 | 71% | 0.711 | S | S | . | * | | | trans | -110.7 | 25.7 | -168 | 0 | 0 | 0 | 0 | 0 | 115.3 | V737 R738 | G735-V737 PolarHBondContact O-N 3.44Å; G735-R738 PolarHBondContact O-N 3.44Å |
| 736 | T | 58.8 | Low | 48 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -10.1 | -161.3 | -31 | 0 | 0 | 0 | 0 | 116 | | |
| 737 | V | 51.1 | Low | 48.4 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 49% | 0.485 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | -24.6 | -174.4 | -169.6 | 0 | 0 | 0 | 0 | 113.5 | G735 S942 | G735-V737 PolarHBondContact O-N 3.44Å; V737-S942 WeakPolarHBondContact CG1-O 3.43Å |
| 738 | R | 58.4 | Low | 47.9 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 51% | 0.509 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -34.7 | -177.9 | -75.7 | -172.3 | -177.6 | -114.6 | 3.1 | 114.1 | G735 L740 L741 S943 S944 | G735-R738 PolarHBondContact O-N 3.44Å; R738-L740 VanDerWaalsContact C-N 3.27Å; R738-L740 PolarHBondContact O-N 2.97Å; R738-L741 PolarHBondContact O-N 3.4Å; R738-S943 VanDerWaalsContact CG-OG 3.29Å; R738-S943 WeakPolarHBondContact CG-OG 3.2Å; R738-S943 PolarHBondContact NH1-O 3.04Å; R738-S943 VanDerWaalsContact NH1-O 3.07Å; R738-S943 PolarHBondContact NH2-O 2.92Å; R738-S944 VanDerWaalsContact CZ-O 3.26Å; R738-S944 PolarHBondContact NH1-O 3.21Å; R738-S944 PolarHBondContact NH2-O 3.47Å |
| 739 | Q | 58.9 | Low | 47.4 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -11.1 | -171.4 | -160.2 | 166.6 | 11.9 | 0 | 0 | 114.2 | | |
| 740 | L | 58.2 | Low | 47.3 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 53% | 0.534 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | -12.4 | 178.9 | -170.2 | 56 | 0 | 0 | 0 | 113.5 | R738 L939 | R738-L740 VanDerWaalsContact C-N 3.27Å; R738-L740 PolarHBondContact O-N 2.97Å; L740-L939 HydrophobicContact CD2-CD2 4.46Å |
| 741 | L | 58.4 | Low | 47 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 45% | 0.445 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -88.1 | -35.2 | -171.8 | -92.3 | 157.9 | 0 | 0 | 0 | 115.2 | R738 S941 | R738-L741 PolarHBondContact O-N 3.4Å; L741-S941 WeakPolarHBondContact CD2-O 3.46Å |
| 742 | E | 56.9 | Low | 47.5 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -88.9 | -8.8 | -162.1 | -59.2 | -172.8 | 136.7 | 0 | 0 | 113.7 | K744 | E742-K744 PolarHBondContact O-N 3.06Š|
| 743 | S | 51.8 | Low | 47.2 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | trans | -91.7 | 32.1 | -170.1 | -57.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 744 | K | 53.8 | Low | 46.8 | Very low | 200 Ų | 200 | 126 Ų | 126 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | | | trans | -129.7 | 44.1 | 175.8 | -130 | -174.1 | -174.7 | -171.4 | 0 | 115.4 | E742 | E742-K744 PolarHBondContact O-N 3.06Š|
| 745 | R | 49 | Very low | 46.2 | Very low | 208 Ų | 208 | 130.2 Ų | 130.2 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -142.6 | 143.8 | 160.1 | 58.4 | -172.4 | 176.1 | 96.7 | 0.1 | 112.2 | | |
| 746 | N | 36.1 | Very low | 45.3 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | | | trans | 79.5 | 143.5 | 178.6 | -57.7 | -2.8 | 0 | 0 | 0 | 117.4 | | |
| 747 | V | 42.9 | Very low | 43.9 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 89% | 0.885 | 74% | 0.735 | S | S | * | * | | | trans | -114.6 | 138.6 | -175.2 | 170.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 748 | S | 32.9 | Very low | 43.7 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | -168.1 | 109.3 | 153.4 | -172 | 0 | 0 | 0 | 0 | 111.6 | | |
| 749 | E | 33.2 | Very low | 42.5 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | | 14.6 | 124.1 | 123.9 | -165.8 | 168.6 | -160.7 | 0 | 0 | 116 | | |
| 750 | G | 31.7 | Very low | 41.2 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | cis | 152.7 | -165 | 24.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 751 | P | 41.3 | Very low | 39.8 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | cis | -121.2 | 179.6 | -24.5 | 42.6 | -28.6 | 0 | 0 | 0 | 113.1 | | |
| 752 | P | 41.8 | Very low | 38.5 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -107.2 | 156.3 | 177.1 | 38.5 | -32.4 | 0 | 0 | 0 | 115.3 | | |
| 753 | P | 39.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -94.1 | 140.6 | 170.9 | 35 | -32.3 | 0 | 0 | 0 | 115 | | |
| 754 | S | 31.7 | Very low | 36.5 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | | | trans | -42.9 | 162.7 | 160.1 | 55.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 755 | F | 33.8 | Very low | 35.2 | Very low | 191 Ų | 191 | 130.7 Ų | 130.7 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | cis | -138.7 | -175.2 | 19.7 | -73.2 | -83.5 | 0 | 0 | 0 | 109.6 | | |
| 756 | Q | 32 | Very low | 34.4 | Very low | 184 Ų | 184 | 125.2 Ų | 125.2 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | cis | -162.8 | 167.1 | 28.5 | -159.2 | 170 | 94.7 | 0 | 0 | 111.4 | | |
| 757 | T | 29.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -130.8 | 168.7 | -174 | -26.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 758 | P | 45.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | | -128.9 | 139.6 | 125.6 | 6.7 | 14.9 | 0 | 0 | 0 | 115.2 | | |
| 759 | V | 33.6 | Very low | 33.6 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | | | trans | -11 | 149.2 | 153.3 | -71.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 760 | N | 31.5 | Very low | 33.3 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | cis | -156.2 | -170.7 | 10.8 | -131.2 | -23.3 | 0 | 0 | 0 | 109 | | |
| 761 | T | 30.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | -165.5 | 160.1 | 8.4 | 4.5 | 0 | 0 | 0 | 0 | 105.7 | | |
| 762 | V | 30.1 | Very low | 32.5 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | | | cis | -159.9 | 177.1 | -7.4 | 77.9 | 0 | 0 | 0 | 0 | 110 | | |
| 763 | S | 30.7 | Very low | 31.8 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | -10.6 | 156.8 | 165.6 | -70 | 0 | 0 | 0 | 0 | 125.2 | | |
| 764 | S | 36 | Very low | 31.3 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | cis | -178.2 | 158.3 | -16.9 | -94.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 765 | A | 27 | Very low | 31.1 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | | | trans | 105.6 | 141.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 766 | S | 31.8 | Very low | 30.8 | Very low | 92 Ų | 92 | 121 Ų | 121 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | cis | -175.1 | 143.6 | -22 | 56.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 767 | H | 34 | Very low | 30.7 | Very low | 188 Ų | 188 | 121 Ų | 121 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | | | trans | 66.1 | 156.8 | 155.2 | -63.5 | -51.1 | 0 | 0 | 0 | 119.8 | | |
| 768 | A | 31.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 120.3 Ų | 120.3 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | cis | -174.9 | 172.1 | -9.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 769 | T | 29.7 | Very low | 30.4 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | | | cis | -164.3 | 159.1 | -12 | 22.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 770 | S | 27.3 | Very low | 30 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | 78 | 133.7 | 45.3 | -37.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 771 | T | 29.6 | Very low | 29.7 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | cis | -168 | -179.3 | 0.2 | 3.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 772 | A | 26.4 | Very low | 29.4 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | trans | 94.8 | 142.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 773 | V | 27.4 | Very low | 29.1 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | | | cis | 123.9 | 132.6 | -8.7 | 173.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 774 | V | 27.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 122.8 Ų | 122.8 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | | | trans | 155.7 | 112.9 | 140.9 | 164.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 775 | S | 27.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | 46.7 | 141.3 | 137.4 | -149.5 | 0 | 0 | 0 | 0 | 126.9 | | |
| 776 | S | 27.9 | Very low | 28.7 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | 101.2 | 144 | 141.2 | 77 | 0 | 0 | 0 | 0 | 122.1 | | |
| 777 | Q | 30.8 | Very low | 28.4 | Very low | 184 Ų | 184 | 124 Ų | 124 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -127.8 | 170.9 | 176.7 | -116.3 | -166.8 | -45.9 | 0 | 0 | 106.8 | | |
| 778 | P | 41 | Very low | 28 | Very low | 109 Ų | 109 | 121 Ų | 121 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | cis | -147.2 | 175.3 | 24.7 | 45.5 | -26.6 | 0 | 0 | 0 | 118.6 | | |
| 779 | K | 25.8 | Very low | 28 | Very low | 176 Ų | 176 | 124.5 Ų | 124.5 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | 80.6 | 128.9 | 138.7 | -162.6 | 165.4 | -176.5 | 177.7 | 0 | 122.2 | | |
| 780 | L | 25.7 | Very low | 28.9 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | trans | 69.7 | 111.5 | 156.1 | -73.6 | 169.2 | 0 | 0 | 0 | 122.9 | | |
| 781 | Q | 25.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | | 72.1 | 123.2 | 116.1 | -153.7 | 172.6 | -10.5 | 0 | 0 | 123 | | |
| 782 | T | 24.6 | Very low | 28.9 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | trans | 63 | 110.3 | 153.5 | 48.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 783 | S | 23.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | | 72.9 | 142.8 | 115.2 | -53.6 | 0 | 0 | 0 | 0 | 124 | | |
| 784 | A | 27.3 | Very low | 29.9 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 91 | 105.5 | 138.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 785 | T | 26.8 | Very low | 30.1 | Very low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | | 97.8 | 131.9 | 112.9 | -64.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 786 | S | 30.3 | Very low | 30.2 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 65 | 143.2 | 161.9 | -68.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 787 | G | 25.9 | Very low | 30.4 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | cis | 144.2 | 158.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 788 | S | 25.6 | Very low | 30.8 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | | | trans | -171.8 | 148.2 | 144.3 | -167.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 789 | L | 32.3 | Very low | 30 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | trans | -95.3 | -166.7 | 166.8 | -74 | 171.5 | 0 | 0 | 0 | 108.4 | | |
| 790 | P | 48.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | cis | -153.6 | -170.1 | 19 | 46.3 | -23.8 | 0 | 0 | 0 | 120.6 | | |
| 791 | A | 26.2 | Very low | 30.8 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | 77.2 | 123.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 792 | A | 31.2 | Very low | 31 | Very low | 95 Ų | 95 | 116.3 Ų | 116.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | cis | 87.7 | 158.2 | 18.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 793 | P | 45.8 | Very low | 31.2 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | | | cis | -134.7 | 172.5 | -23 | 35.9 | -18.8 | 0 | 0 | 0 | 114.8 | | |
| 794 | L | 29.8 | Very low | 31.5 | Very low | 171 Ų | 171 | 117.1 Ų | 117.1 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | | 170 | 162.5 | 128.8 | -90.4 | 163.4 | 0 | 0 | 0 | 112.6 | | |
| 795 | L | 30.5 | Very low | 31.6 | Very low | 163 Ų | 163 | 116.7 Ų | 116.7 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -125.3 | 167 | -172.2 | -77.3 | 175.8 | 0 | 0 | 0 | 109.7 | | |
| 796 | P | 29.1 | Very low | 31.8 | Very low | 124 Ų | 124 | 117 Ų | 117 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | cis | -146.1 | -174.9 | 35.6 | 43.2 | -21.9 | 0 | 0 | 0 | 118.6 | | |
| 797 | A | 33.1 | Very low | 31.6 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | -85 | -175.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 798 | P | 38.8 | Very low | 31.7 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | cis | -143.2 | -158.1 | 12.8 | 44.3 | -22.7 | 0 | 0 | 0 | 116 | | |
| 799 | S | 24.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 73.3 | 158.5 | 169.3 | -53.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 800 | T | 34.2 | Very low | 32.3 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | | | cis | -140.6 | 139.8 | 22.6 | 31.8 | 0 | 0 | 0 | 0 | 111 | | |
| 801 | A | 34.9 | Very low | 31.3 | Very low | 75 Ų | 75 | 121 Ų | 121 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | | | | 75.6 | 147.4 | 86.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V803 | A801-V803 HydrophobicContact CB-CB 4.37Å; A801-V803 HydrophobicContact CB-CG2 3.51Å |
| 802 | T | 29.2 | Very low | 31.3 | Very low | 138 Ų | 138 | 119.2 Ų | 119.2 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | | | cis | -75.2 | 129.6 | 6.5 | -15.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 803 | V | 29.2 | Very low | 31.4 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | | | cis | 72.8 | 121.4 | 44.5 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | A801 | A801-V803 HydrophobicContact CB-CB 4.37Å; A801-V803 HydrophobicContact CB-CG2 3.51Å |
| 804 | V | 29.6 | Very low | 30.7 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | | -131.4 | 131.6 | 50.4 | 173.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 805 | A | 29.5 | Very low | 30.7 | Very low | 78 Ų | 78 | 122.1 Ų | 122.1 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | | | trans | 29.9 | 151.2 | 137.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 806 | T | 29.7 | Very low | 30.9 | Very low | 132 Ų | 132 | 120.2 Ų | 120.2 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | cis | -161.7 | 142.7 | -9.1 | 11.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 807 | T | 27.2 | Very low | 31.1 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -9.6 | 136.2 | 159 | 52.6 | 0 | 0 | 0 | 0 | 123 | | |
| 808 | Q | 26.3 | Very low | 31.1 | Very low | 192 Ų | 192 | 123.9 Ų | 123.9 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | | | | -154.4 | -172.4 | 104.6 | -125.2 | 178.2 | 53 | 0 | 0 | 113.3 | | |
| 809 | V | 29.1 | Very low | 30.7 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -146.2 | 178.4 | -150 | -144.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 810 | P | 42.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | | -116.3 | 159.5 | -85.8 | 39.2 | -25.6 | 0 | 0 | 0 | 116.8 | | |
| 811 | S | 27.5 | Very low | 31.5 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -168.2 | 154.6 | 143 | -150.9 | 0 | 0 | 0 | 0 | 105.8 | | |
| 812 | G | 25.2 | Very low | 31.6 | Very low | 57 Ų | 57 | 130.1 Ų | 130.1 | 59% | 0.588 | 78% | 0.783 | S | S | * | * | | | cis | 132.7 | 104.9 | 28.7 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 813 | T | 33.1 | Very low | 32 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | 36.3 | 99.2 | 170.3 | 51.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 814 | P | 31.1 | Very low | 32.6 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | | | trans | -83.5 | 126 | 164.1 | 32.4 | -30.7 | 0 | 0 | 0 | 112 | | |
| 815 | Q | 30.7 | Very low | 33.2 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -72.4 | 153.1 | 152.8 | -67.5 | 171.9 | -50.6 | 0 | 0 | 109.2 | T817 | Q815-T817 PolarHBondContact O-N 3.48Š|
| 816 | P | 34.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | trans | -77.1 | 84.3 | 171.8 | 32.1 | -33.9 | 0 | 0 | 0 | 110.9 | I818 | P816-I818 PolarHBondContact O-N 3.22Å; P816-I818 VanDerWaalsContact O-N 3.17Å |
| 817 | T | 32.2 | Very low | 34.2 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | | | trans | -73.4 | 99.8 | 165 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | Q815 S819 | Q815-T817 PolarHBondContact O-N 3.48Å; T817-S819 PolarHBondContact O-N 2.89Å |
| 818 | I | 34.1 | Very low | 34.7 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -84.7 | 100.4 | 175.4 | -52.2 | 177.7 | 0 | 0 | 0 | 108.1 | P816 | P816-I818 PolarHBondContact O-N 3.22Å; P816-I818 VanDerWaalsContact O-N 3.17Å |
| 819 | S | 30.7 | Very low | 35.5 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -101 | 158.3 | 169.9 | -163.5 | 0 | 0 | 0 | 0 | 111.4 | T817 | T817-S819 PolarHBondContact O-N 2.89Š|
| 820 | L | 37.7 | Very low | 36 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -65 | 139.4 | -170.1 | -53.9 | 168.1 | 0 | 0 | 0 | 113 | | |
| 821 | Q | 37.5 | Very low | 35.5 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | | -178 | 145.5 | 117.5 | -99.2 | 172.9 | 11.3 | 0 | 0 | 111.8 | | |
| 822 | P | 36.9 | Very low | 36 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -86.9 | 133.9 | 172.3 | 33.7 | -31.4 | 0 | 0 | 0 | 111.6 | | |
| 823 | L | 36.7 | Very low | 36.3 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -118.4 | 148.7 | 165.2 | -86.7 | 82.5 | 0 | 0 | 0 | 110.2 | | |
| 824 | P | 43.7 | Very low | 36.3 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | trans | -74.4 | 144.6 | -171.1 | 29.4 | -35.7 | 0 | 0 | 0 | 113.5 | I826 | P824-I826 PolarHBondContact O-N 2.91Š|
| 825 | V | 40.5 | Very low | 36.2 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | -82.9 | 107.6 | 176 | 179 | 0 | 0 | 0 | 0 | 110 | | |
| 826 | I | 42.8 | Very low | 36.2 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -85.1 | 112.5 | 174.2 | -60.6 | 176.7 | 0 | 0 | 0 | 109.6 | P824 H828 | P824-I826 PolarHBondContact O-N 2.91Å; I826-H828 PolarHBondContact O-N 2.67Å |
| 827 | L | 37.3 | Very low | 36.6 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | trans | -73.3 | 108.8 | 170.7 | -82 | 162.4 | 0 | 0 | 0 | 110.3 | V829 | L827-V829 PolarHBondContact O-N 3.42Š|
| 828 | H | 39.1 | Very low | 36.7 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -86.7 | 95.7 | -179.6 | -152.6 | 98.5 | 0 | 0 | 0 | 111 | I826 P830 | I826-H828 PolarHBondContact O-N 2.67Å; H828-P830 WeakPolarHBondContact O-CD 3.4Å |
| 829 | V | 43 | Very low | 36.7 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | | | trans | -87.2 | 116.7 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | L827 V831 | L827-V829 PolarHBondContact O-N 3.42Å; V829-V831 HydrophobicContact CG1-CG2 4.22Å; V829-V831 PolarHBondContact O-N 2.91Å |
| 830 | P | 38.6 | Very low | 36.9 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -76.4 | 109.1 | -179.1 | -13.5 | 29.9 | 0 | 0 | 0 | 111.3 | H828 | H828-P830 WeakPolarHBondContact O-CD 3.4Š|
| 831 | V | 33.8 | Very low | 36.9 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | | | trans | -117.3 | 97.5 | 170.5 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | V829 V833 | V829-V831 HydrophobicContact CG1-CG2 4.22Å; V829-V831 PolarHBondContact O-N 2.91Å; V831-V833 HydrophobicContact CG1-CG2 4.02Å |
| 832 | A | 36 | Very low | 36.5 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -92.3 | 108.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 833 | V | 33.1 | Very low | 36.2 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | trans | -133.4 | 109 | 168.4 | -157.9 | 0 | 0 | 0 | 0 | 108.3 | V831 | V831-V833 HydrophobicContact CG1-CG2 4.02Š|
| 834 | T | 33.2 | Very low | 36.3 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | -118.8 | 114.6 | -175.9 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 835 | S | 28.5 | Very low | 35.8 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -155.7 | 96.5 | 168.2 | 54 | 0 | 0 | 0 | 0 | 112.7 | | |
| 836 | Q | 30.4 | Very low | 35.5 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | | | trans | -131.4 | 135.3 | 159.4 | -145.1 | -179.3 | 12.5 | 0 | 0 | 107.4 | | |
| 837 | P | 42.4 | Very low | 35 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -91.4 | 149.3 | -165.8 | 34.6 | -35.1 | 0 | 0 | 0 | 113 | | |
| 838 | Q | 34.7 | Very low | 34.8 | Very low | 196 Ų | 196 | 141 Ų | 141 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | | | trans | -129.7 | 143.2 | 156.7 | -75 | -169 | -19.1 | 0 | 0 | 110.4 | | |
| 839 | L | 34.7 | Very low | 34.4 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | | | trans | -85.2 | 137 | -178.4 | -68.9 | 160.8 | 0 | 0 | 0 | 110.4 | | |
| 840 | L | 34.5 | Very low | 33.7 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -161.4 | 144.3 | 142.5 | -108.1 | 160.4 | 0 | 0 | 0 | 109.6 | | |
| 841 | Q | 37.1 | Very low | 33.5 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -98.8 | 143.3 | -175.3 | -60.8 | 163.8 | -50.8 | 0 | 0 | 110.1 | | |
| 842 | S | 29 | Very low | 33.9 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | | | | 155 | 107.9 | 124.8 | 66.2 | 0 | 0 | 0 | 0 | 115 | | |
| 843 | H | 31.8 | Very low | 33.8 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | | | trans | 72.1 | 163.4 | 140.5 | -55.3 | -40.4 | 0 | 0 | 0 | 118.6 | | |
| 844 | P | 39.2 | Very low | 33.8 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -122.4 | 168.4 | -134.5 | 42.5 | -33.9 | 0 | 0 | 0 | 117.9 | | |
| 845 | G | 33.2 | Very low | 33.7 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -168.8 | 151.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 846 | T | 33.1 | Very low | 33.9 | Very low | 148 Ų | 148 | 142 Ų | 142 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | | | trans | -101.5 | 158.9 | -169.5 | -62.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 847 | L | 32.3 | Very low | 34.2 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | -69.9 | 168.5 | -176.8 | -64.9 | 160.5 | 0 | 0 | 0 | 116.5 | | |
| 848 | V | 33 | Very low | 33.7 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | | | trans | 73.4 | 111.6 | 156.8 | -172.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 849 | T | 30.7 | Very low | 33.6 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | | -140.5 | 171.7 | 115.1 | 64.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 850 | N | 29.7 | Very low | 33.3 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | -121.5 | 170.6 | 176.8 | -129.5 | -70 | 0 | 0 | 0 | 109.6 | | |
| 851 | Q | 33.1 | Very low | 33 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | 70.4 | 161.2 | 163.2 | -74.3 | -65.7 | -7.2 | 0 | 0 | 116.3 | | |
| 852 | P | 42.9 | Very low | 32.9 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | | -129.8 | -169.1 | -110 | 47.6 | -35.6 | 0 | 0 | 0 | 115.7 | | |
| 853 | S | 34.4 | Very low | 33 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 74.9 | 114.7 | 165.7 | -161.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 854 | G | 32.8 | Very low | 32.8 | Very low | 59 Ų | 59 | 134.3 Ų | 134.3 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | -76.9 | 144.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 855 | N | 31 | Very low | 33.1 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | | -171.9 | 158.5 | 109.6 | -93.2 | -10.1 | 0 | 0 | 0 | 111.4 | | |
| 856 | V | 32.3 | Very low | 32.9 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | 77.1 | 126.4 | 177 | -166 | 0 | 0 | 0 | 0 | 114.9 | | |
| 857 | E | 36.3 | Very low | 32.9 | Very low | 151 Ų | 151 | 133 Ų | 133 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -72.8 | 158.2 | 174.8 | -59.1 | 161.5 | 92.8 | 0 | 0 | 111.6 | | |
| 858 | F | 31.4 | Very low | 32.8 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | | -168.5 | 159.5 | 108 | -94.7 | -59.7 | 0 | 0 | 0 | 111.7 | | |
| 859 | I | 32.6 | Very low | 32.6 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | trans | -96.2 | 135.3 | -167.8 | -55.9 | 154.1 | 0 | 0 | 0 | 110.2 | | |
| 860 | S | 28.1 | Very low | 32.7 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | 174.2 | 124.6 | 131.1 | -85 | 0 | 0 | 0 | 0 | 116.5 | | |
| 861 | V | 28.8 | Very low | 32.8 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | 40.8 | 140.2 | 137.7 | -144.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 862 | Q | 35.5 | Very low | 32.9 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | | 125.4 | 93.8 | 124.9 | -153.6 | 147.3 | 11.4 | 0 | 0 | 118.4 | | |
| 863 | S | 30.9 | Very low | 32.3 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | 39.1 | 119.9 | 142.9 | 64.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 864 | Q | 28.3 | Very low | 32.7 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | | -8.5 | 169 | 120.9 | -86.5 | -170.2 | 7.1 | 0 | 0 | 118.9 | | |
| 865 | P | 45.3 | Very low | 32.5 | Very low | 100 Ų | 100 | 134 Ų | 134 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | | | cis | -139.1 | -160.9 | -15.5 | 28.5 | -5 | 0 | 0 | 0 | 114.1 | | |
| 866 | T | 28 | Very low | 32.3 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | | 122.5 | 130.6 | 126.4 | -22.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 867 | V | 32.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | | | trans | 59.5 | 132.9 | 150.6 | -72.8 | 0 | 0 | 0 | 0 | 125.9 | | |
| 868 | S | 30.3 | Very low | 32.7 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | 60.6 | 147.3 | 131.7 | -59.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 869 | G | 29.4 | Very low | 32.8 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | cis | 155 | -176.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 870 | L | 32.3 | Very low | 32.8 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | trans | 60.5 | 99.6 | 163.2 | -100.5 | 69.9 | 0 | 0 | 0 | 120.7 | | |
| 871 | T | 32.1 | Very low | 33.2 | Very low | 109 Ų | 109 | 130 Ų | 130 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | | 60.6 | 155.8 | 119.3 | 62.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 872 | K | 35.7 | Very low | 33.4 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | 101.5 | 101.1 | 154.7 | -56.3 | -177.8 | -172.1 | -178.5 | 0 | 117.8 | | |
| 873 | N | 29.8 | Very low | 34.1 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -64.4 | 175.4 | 147.4 | -123.4 | -5.6 | 0 | 0 | 0 | 110 | | |
| 874 | P | 43.6 | Very low | 34 | Very low | 103 Ų | 103 | 130 Ų | 130 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | cis | -137.5 | 175.9 | 4.6 | 37.7 | -17.5 | 0 | 0 | 0 | 117.1 | | |
| 875 | V | 28.6 | Very low | 34.3 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | 53.2 | 118.8 | 147.9 | 171.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 876 | S | 25.6 | Very low | 34.3 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -159.3 | 139.1 | 137.5 | -81.9 | 0 | 0 | 0 | 0 | 111 | | |
| 877 | L | 32.8 | Very low | 34.3 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | -96 | 165.4 | 177.7 | -78.6 | 174.8 | 0 | 0 | 0 | 111.5 | | |
| 878 | P | 43.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | -90.5 | 155 | -150.6 | 34.3 | -37.4 | 0 | 0 | 0 | 116 | | |
| 879 | P | 33.5 | Very low | 35 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | -106.1 | 126.9 | 170.2 | 36 | -28.8 | 0 | 0 | 0 | 115.2 | | |
| 880 | L | 33.5 | Very low | 34.8 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -15.1 | 154.6 | 136.3 | -129 | 39 | 0 | 0 | 0 | 115.4 | | |
| 881 | P | 37.5 | Very low | 34.7 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | cis | -151.5 | 171.3 | 40.9 | 42.1 | -20.5 | 0 | 0 | 0 | 120.9 | | |
| 882 | N | 31.2 | Very low | 35 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -116 | 152.3 | 162.3 | -163.7 | 2.8 | 0 | 0 | 0 | 106.9 | | |
| 883 | P | 50.7 | Low | 35 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | | -154.4 | 160 | 89.1 | 39.6 | -21.4 | 0 | 0 | 0 | 116.7 | | |
| 884 | T | 28.9 | Very low | 35.9 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | -157.5 | 147.5 | 132 | -81.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 885 | K | 35 | Very low | 35.1 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -90.6 | 170.4 | -174.4 | -142.6 | 156.5 | 173 | -176.5 | 0 | 108.9 | | |
| 886 | P | 44.6 | Very low | 35.3 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | | | cis | -151.2 | 174.6 | 25.3 | 43.8 | -22.1 | 0 | 0 | 0 | 122.7 | | |
| 887 | N | 29 | Very low | 35.7 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | 89.5 | 141.5 | 162.8 | -97.8 | -6.3 | 0 | 0 | 0 | 120 | | |
| 888 | I | 35.8 | Very low | 35.5 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 64% | 0.641 | 75% | 0.754 | S | S | * | * | | | trans | -159.6 | 161.8 | -167.3 | 3.3 | 173.4 | 0 | 0 | 0 | 106 | | |
| 889 | P | 40.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | cis | -119.8 | -175.9 | 42.9 | 11.2 | 14 | 0 | 0 | 0 | 113.4 | | |
| 890 | S | 27 | Very low | 35 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 56% | 0.559 | 75% | 0.752 | S | S | * | * | | | cis | 148.9 | 114.4 | -25.4 | -77.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 891 | V | 29.7 | Very low | 35 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | 55.9 | 174.7 | 157.4 | -97.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 892 | P | 37.7 | Very low | 34.8 | Very low | 110 Ų | 110 | 128 Ų | 128 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | cis | -132.8 | 178 | -24.7 | 32.4 | -13.4 | 0 | 0 | 0 | 114.7 | | |
| 893 | S | 36.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -90.1 | 137.8 | 142.4 | -56.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 894 | P | 47.3 | Very low | 33.8 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | | -156.6 | -174 | 64.5 | 43.3 | -22.4 | 0 | 0 | 0 | 117.2 | | |
| 895 | S | 28.3 | Very low | 33.8 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | 46.9 | 113.8 | 146 | -60.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 896 | S | 31.6 | Very low | 33.4 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | trans | 55 | 126 | 131 | -167.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 897 | I | 34.6 | Very low | 33.6 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | | 177.6 | 147.3 | 125.4 | -96.7 | 162.3 | 0 | 0 | 0 | 115.3 | | |
| 898 | Q | 29.1 | Very low | 33.7 | Very low | 145 Ų | 145 | 122.7 Ų | 122.7 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | 54.8 | 97.8 | 160.3 | -80.2 | 168.8 | -90.5 | 0 | 0 | 124.1 | | |
| 899 | R | 34.4 | Very low | 33.4 | Very low | 198 Ų | 198 | 120.5 Ų | 120.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | | 28.8 | 124.4 | 107.2 | -62.8 | -175 | -77.6 | 122.2 | -9.9 | 120.2 | | |
| 900 | N | 32.5 | Very low | 32.9 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | | 169.2 | 143.5 | 119.5 | -84.4 | -12 | 0 | 0 | 0 | 110.2 | | |
| 901 | S | 33.5 | Very low | 33 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | cis | -163.1 | 130.7 | -1.3 | 50.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 902 | S | 33.5 | Very low | 32.9 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | trans | 79.4 | 133.1 | 135.2 | -154.2 | 0 | 0 | 0 | 0 | 124.3 | | |
| 903 | T | 31.9 | Very low | 32.5 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | trans | 69.5 | 139.6 | 146.5 | 29 | 0 | 0 | 0 | 0 | 119.9 | | |
| 904 | T | 28.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | cis | -146.9 | 147.8 | 8.9 | -68.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 905 | A | 29.2 | Very low | 31 | Very low | 85 Ų | 85 | 125 Ų | 125 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | | | trans | -1.2 | 126.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 906 | A | 26.1 | Very low | 31.1 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | | | | 50.4 | 162.7 | 110.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 907 | P | 47.3 | Very low | 30.9 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | cis | -136.1 | -164.5 | -13.4 | 35.6 | -13.6 | 0 | 0 | 0 | 114.1 | | |
| 908 | L | 31.4 | Very low | 31 | Very low | 178 Ų | 178 | 123.1 Ų | 123.1 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | | | trans | 69.9 | 161.6 | 162.3 | -58.1 | 165.1 | 0 | 0 | 0 | 117.5 | | |
| 909 | G | 29.4 | Very low | 31.3 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | 151.4 | 89.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 910 | T | 30.1 | Very low | 31.1 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | -71.7 | 144.8 | 173.3 | 40.8 | 0 | 0 | 0 | 0 | 115 | | |
| 911 | T | 30.6 | Very low | 31.2 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | 63.7 | 168.8 | 137.1 | 61.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 912 | L | 27.8 | Very low | 31 | Very low | 146 Ų | 146 | 118.6 Ų | 118.6 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | 61.9 | 107.7 | 165.2 | -90.6 | 67 | 0 | 0 | 0 | 117.5 | | |
| 913 | A | 27.6 | Very low | 30.8 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | | | | 86.6 | 160.5 | 58.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 914 | V | 25.6 | Very low | 30.8 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | trans | 70.5 | 107.2 | 152.2 | 166.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 915 | Q | 27.2 | Very low | 30.9 | Very low | 177 Ų | 177 | 121.7 Ų | 121.7 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | | 53.1 | 131.1 | 113.7 | -145.3 | 175.1 | 35.7 | 0 | 0 | 118.7 | | |
| 916 | A | 30.7 | Very low | 30.9 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | | | cis | -171.4 | -159.8 | -12.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 917 | V | 26.8 | Very low | 31.2 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | 72.7 | 155 | 162.2 | -173.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 918 | P | 37.6 | Very low | 30.5 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | cis | -113.3 | 152.6 | -23.1 | 28.4 | -12.5 | 0 | 0 | 0 | 113.5 | | |
| 919 | T | 35.8 | Very low | 30.6 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | | | | -149.2 | 132 | 127.6 | -57.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 920 | A | 30.5 | Very low | 30.7 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | | | trans | -139.2 | 158.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 921 | H | 33.2 | Very low | 31 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | | | trans | 69.6 | 104.5 | 165.3 | -45.2 | -59.3 | 0 | 0 | 0 | 118.9 | I923 | H921-I923 HydrophobicContact CB-CD1 4.19Š|
| 922 | S | 29.3 | Very low | 31.3 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | | -162.2 | 103.6 | 104.4 | -138.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 923 | I | 31.1 | Very low | 32.2 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | | 76.1 | 120.7 | 75.7 | -67.9 | 167.8 | 0 | 0 | 0 | 111.1 | H921 | H921-I923 HydrophobicContact CB-CD1 4.19Š|
| 924 | V | 30.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | | | cis | -157.8 | 148.3 | 1.5 | 108.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 925 | Q | 30.9 | Very low | 33.1 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | 32.2 | 128.6 | 155.2 | -60.1 | 158.6 | -13 | 0 | 0 | 122.8 | | |
| 926 | A | 30.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | | -151.6 | 124.5 | 113.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 927 | T | 32.1 | Very low | 33.6 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | 0.3 | 122.6 | 164.6 | -45.2 | 0 | 0 | 0 | 0 | 120.2 | T929 | T927-T929 HydrophobicContact CG2-CG2 4.42Š|
| 928 | R | 32.4 | Very low | 33.7 | Very low | 247 Ų | 247 | 125.4 Ų | 125.4 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | | | trans | -66.3 | 131.9 | 159.8 | -67.7 | 174.9 | 76.9 | -169.8 | 7.3 | 110.2 | | |
| 929 | T | 32.5 | Very low | 33.2 | Very low | 131 Ų | 131 | 127 Ų | 127 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -131.2 | 153.7 | 164.5 | 33.1 | 0 | 0 | 0 | 0 | 111.4 | T927 | T927-T929 HydrophobicContact CG2-CG2 4.42Š|
| 930 | S | 31.1 | Very low | 33.1 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -71.4 | 149 | 174.9 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 931 | L | 37.3 | Very low | 33 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | 14.5 | 126.3 | 154.1 | -74.1 | 166.5 | 0 | 0 | 0 | 119.1 | | |
| 932 | P | 37.6 | Very low | 33.1 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | | | trans | -114.3 | 90.6 | 143.2 | 34.8 | -25.6 | 0 | 0 | 0 | 111.3 | V934 | P932-V934 HydrophobicContact CB-CG2 4.35Å; P932-V934 PolarHBondContact O-N 3.24Å |
| 933 | T | 46.1 | Very low | 33.3 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | | | trans | -81.7 | 101.6 | 157 | -60.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 934 | V | 33.7 | Very low | 33.2 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | | | trans | -141.3 | 126.1 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 106.6 | P932 | P932-V934 HydrophobicContact CB-CG2 4.35Å; P932-V934 PolarHBondContact O-N 3.24Å |
| 935 | G | 37.3 | Very low | 33.2 | Very low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | | | cis | 103.8 | 149.3 | 10.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 936 | P | 39 | Very low | 33.2 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | | | trans | -122.3 | 129.3 | 146 | 33.9 | -27.9 | 0 | 0 | 0 | 111.8 | | |
| 937 | S | 30.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | | | trans | -53.4 | 150.6 | 156.5 | -46 | 0 | 0 | 0 | 0 | 109.8 | | |
| 938 | G | 28.6 | Very low | 34.2 | Very low | 66 Ų | 66 | 120.6 Ų | 120.6 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | | | cis | 98.6 | 108.2 | 19.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 939 | L | 27.2 | Very low | 34.2 | Very low | 140 Ų | 140 | 116 Ų | 116 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | | | trans | -140.9 | 107.5 | 163.7 | -81.6 | -178.1 | 0 | 0 | 0 | 108.5 | L740 | L740-L939 HydrophobicContact CD2-CD2 4.46Š|
| 940 | Y | 32.9 | Very low | 34.4 | Very low | 220 Ų | 220 | 118 Ų | 118 | 86% | 0.863 | 71% | 0.711 | S | S | * | * | | | trans | -108.4 | 149.3 | 156.7 | -104.1 | -83.8 | 0 | 0 | 0 | 108.5 | | |
| 941 | S | 30.2 | Very low | 34.5 | Very low | 32 Ų | 32 | 122.3 Ų | 122.3 | 22% | 0.224 | 72% | 0.721 | C | S | . | * | | | trans | -154.3 | 163.1 | 156.9 | -80 | 0 | 0 | 0 | 0 | 106.9 | L741 | L741-S941 WeakPolarHBondContact CD2-O 3.46Š|
| 942 | S | 34.4 | Very low | 34.3 | Very low | 83 Ų | 83 | 124.2 Ų | 124.2 | 58% | 0.58 | 72% | 0.723 | S | S | * | * | | | trans | -147.3 | 143.2 | -175.5 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | V737 | V737-S942 WeakPolarHBondContact CG1-O 3.43Š|
| 943 | S | 33.6 | Very low | 34.4 | Very low | 54 Ų | 54 | 125.7 Ų | 125.7 | 38% | 0.378 | 72% | 0.723 | S | S | . | * | | | trans | 177.6 | 119.7 | 137.3 | 38.2 | 0 | 0 | 0 | 0 | 115.1 | R738 | R738-S943 VanDerWaalsContact CG-OG 3.29Å; R738-S943 WeakPolarHBondContact CG-OG 3.2Å; R738-S943 PolarHBondContact NH1-O 3.04Å; R738-S943 VanDerWaalsContact NH1-O 3.07Å; R738-S943 PolarHBondContact NH2-O 2.92Å |
| 944 | S | 28.7 | Very low | 34 | Very low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | 62.1 | 135.6 | 130.4 | -178.4 | 0 | 0 | 0 | 0 | 119.3 | R738 | R738-S944 VanDerWaalsContact CZ-O 3.26Å; R738-S944 PolarHBondContact NH1-O 3.21Å; R738-S944 PolarHBondContact NH2-O 3.47Å |
| 945 | S | 30 | Very low | 33.9 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | | | cis | -159.5 | 163 | 36 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 946 | R | 31.4 | Very low | 33.5 | Very low | 245 Ų | 245 | 129.1 Ų | 129.1 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | | | trans | 70 | 133.6 | 161.5 | -72.1 | 179.7 | 166.5 | 166.4 | -4.8 | 118.3 | | |
| 947 | G | 37.5 | Very low | 33.3 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | | | trans | -102.9 | -144.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 948 | P | 47.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | | | cis | -122.3 | -168.3 | 3.4 | 38.5 | -21.2 | 0 | 0 | 0 | 112.8 | | |
| 949 | I | 32.1 | Very low | 33.4 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | | | trans | 151 | 125.4 | 139.8 | -77.2 | 158.6 | 0 | 0 | 0 | 111.8 | | |
| 950 | Q | 36.9 | Very low | 33.8 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | 3.3 | 133.9 | 158.9 | -51.2 | 178.4 | 25.9 | 0 | 0 | 120.5 | | |
| 951 | M | 33.3 | Very low | 33.9 | Very low | 198 Ų | 198 | 128.5 Ų | 128.5 | 98% | 0.975 | 73% | 0.729 | S | S | * | * | | | trans | -125.4 | 146.5 | 138.5 | -76.4 | -159.3 | 171.8 | 0 | 0 | 109.7 | | |
| 952 | K | 32.5 | Very low | 33.8 | Very low | 189 Ų | 189 | 132 Ų | 132 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | trans | -113.7 | 120 | -166.8 | -176.2 | 173.4 | -179.1 | 176 | 0 | 110.2 | | |
| 953 | I | 39.7 | Very low | 33.6 | Very low | 149 Ų | 149 | 134 Ų | 134 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | -74 | 134 | 171 | -60.8 | 175.5 | 0 | 0 | 0 | 108.1 | I955 | I953-I955 PolarHBondContact O-N 3.38Š|
| 954 | P | 37.5 | Very low | 33.6 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | trans | -73.3 | 115.6 | 175.5 | 29 | -33.1 | 0 | 0 | 0 | 110.8 | | |
| 955 | I | 32.3 | Very low | 33.9 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -75 | 126.9 | 161.5 | 36.7 | 172.5 | 0 | 0 | 0 | 109.1 | I953 | I953-I955 PolarHBondContact O-N 3.38Š|
| 956 | S | 28.7 | Very low | 34 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -107 | 88.3 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 957 | T | 33.8 | Very low | 33.9 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | | | trans | -108.8 | 119.5 | 178.5 | -45.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 958 | F | 30 | Very low | 33.8 | Very low | 205 Ų | 205 | 141 Ų | 141 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | | | trans | -62.6 | 141.7 | 164.8 | -105.5 | -103.2 | 0 | 0 | 0 | 109.3 | | |
| 959 | S | 30.6 | Very low | 33.5 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | | | trans | -144.8 | 134.3 | 167.6 | -69 | 0 | 0 | 0 | 0 | 110.5 | | |
| 960 | P | 36.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 170.2 | 177.7 | 32.1 | -35.6 | 0 | 0 | 0 | 111.6 | | |
| 961 | P | 34.8 | Very low | 33.4 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 145.9 | -154.8 | 29 | -35.9 | 0 | 0 | 0 | 114.7 | | |
| 962 | S | 28.4 | Very low | 33.4 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 132.8 | 156.8 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 963 | S | 30.3 | Very low | 33.4 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 128.3 | 143.2 | -75.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 964 | A | 33.9 | Very low | 33 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 174 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 965 | E | 34.8 | Very low | 32.7 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 156.1 | 175.7 | -53.9 | 151.3 | 71.5 | 0 | 0 | 113.9 | | |
| 966 | Q | 31 | Very low | 32.8 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | | | | -154 | 110.7 | 110.6 | -111.4 | 174.4 | 34.4 | 0 | 0 | 114 | | |
| 967 | N | 30.9 | Very low | 33.1 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | | | | 50.3 | 123.9 | 126 | -171.4 | 26 | 0 | 0 | 0 | 120.6 | | |
| 968 | S | 35.1 | Very low | 33 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | | | trans | -170.4 | 92.3 | 131 | -82.2 | 0 | 0 | 0 | 0 | 113 | | |
| 969 | S | 40 | Very low | 33.3 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 100% | 1.35 | 84% | 0.835 | S | S | * | * | | | trans | 168 | 0 | 140.8 | -74.6 | 0 | 0 | 0 | 0 | 111.5 | | |