| 1 | M | 31.9 | Very low | 40.4 | Very low | 234 Ų | 234 | 149.3 Ų | 149.3 | 100% | 1.153 | 81% | 0.809 | S | S | * | * | | | | 0 | 140.9 | 0 | -67.4 | -51.5 | 179.6 | 0 | 0 | 108.4 | | |
| 2 | P | 52.1 | Low | 40.3 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | | | | -118.5 | 141.2 | -71 | 37.8 | -28 | 0 | 0 | 0 | 111.6 | | |
| 3 | L | 38.7 | Very low | 41.1 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | | 74.3 | 140.5 | 99.1 | -61.1 | 173.4 | 0 | 0 | 0 | 117.6 | | |
| 4 | F | 36 | Very low | 41.4 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | 62.4 | 134.3 | 171.1 | -53.7 | -70 | 0 | 0 | 0 | 117.4 | | |
| 5 | A | 37.8 | Very low | 41.5 | Very low | 89 Ų | 89 | 147.2 Ų | 147.2 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | cis | 107.4 | 142.9 | 13.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 6 | A | 37.3 | Very low | 41.7 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | 65.4 | 157.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 7 | S | 36 | Very low | 42 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | cis | -142.3 | 151.2 | 6.2 | -161.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 8 | R | 44.5 | Very low | 42.5 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -63.6 | 138.4 | 156.3 | -78.1 | -173.9 | 174.1 | -138.1 | 4.2 | 108.5 | E10 | R8-E10 IonicContact CZ-OE2 3.78Å; R8-E10 IonicContact NH1-OE2 3.89Å; R8-E10 PolarHBondContact NH1-OE2 2.93Å |
| 9 | R | 45.3 | Very low | 43.4 | Very low | 245 Ų | 245 | 154.6 Ų | 154.6 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -129.4 | 104 | 142.8 | -103.6 | -167 | -76 | -134.4 | 1 | 110.3 | | |
| 10 | E | 43 | Very low | 44.3 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | -82.3 | 152 | 165.6 | -160.3 | 157.6 | 174.6 | 0 | 0 | 107.7 | R8 | R8-E10 IonicContact CZ-OE2 3.78Å; R8-E10 IonicContact NH1-OE2 3.89Å; R8-E10 PolarHBondContact NH1-OE2 2.93Å |
| 11 | G | 41.6 | Very low | 44.9 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | 104.2 | 144.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 12 | D | 39.3 | Very low | 46.6 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | cis | -134.1 | 152.5 | 9.6 | -173.4 | 23.4 | 0 | 0 | 0 | 111.9 | R14 | D12-R14 PolarHBondContact O-N 3.21Š|
| 13 | G | 50.2 | Low | 47.4 | Very low | 56 Ų | 56 | 138.7 Ų | 138.7 | 58% | 0.577 | 75% | 0.746 | S | S | * | * | | | trans | -68.7 | 95.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C15 | G13-C15 PolarHBondContact O-N 3.01Š|
| 14 | R | 45.5 | Very low | 49.1 | Very low | 245 Ų | 245 | 133.4 Ų | 133.4 | 93% | 0.925 | 73% | 0.727 | S | S | * | * | | | trans | -66.9 | 85 | 167.3 | -63.2 | -165.4 | -155.7 | -78 | 0.8 | 109.5 | D12 G16 | D12-R14 PolarHBondContact O-N 3.21Å; R14-G16 PolarHBondContact O-N 2.84Å |
| 15 | C | 43 | Very low | 51.1 | Low | 110 Ų | 110 | 128.9 Ų | 128.9 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | | | trans | -42.5 | 134.1 | 168.3 | -69 | 0 | 0 | 0 | 0 | 109.4 | G13 R17 | G13-C15 PolarHBondContact O-N 3.01Å; C15-R17 PolarHBondContact O-N 2.9Å |
| 16 | G | 45.8 | Very low | 53.2 | Low | 79 Ų | 79 | 129.8 Ų | 129.8 | 81% | 0.814 | 69% | 0.693 | S | S | * | * | | | trans | -63.2 | 82.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R14 H18 | R14-G16 PolarHBondContact O-N 2.84Å; G16-H18 VanDerWaalsContact C-N 3.28Å; G16-H18 PolarHBondContact O-N 2.81Å |
| 17 | R | 46.5 | Very low | 55.4 | Low | 231 Ų | 231 | 130.9 Ų | 130.9 | 87% | 0.872 | 68% | 0.684 | S | S | * | * | | | trans | -63.2 | 97.2 | 169.4 | -85 | -164.9 | -94.8 | -162.3 | -7.8 | 106.7 | C15 R19 | C15-R17 PolarHBondContact O-N 2.9Å; R17-R19 PolarHBondContact O-N 2.98Å |
| 18 | H | 49.8 | Very low | 57.9 | Low | 190 Ų | 190 | 132.3 Ų | 132.3 | 88% | 0.88 | 67% | 0.672 | S | S | * | * | | | trans | -50.9 | 93.3 | 159.2 | -125.6 | -75.6 | 0 | 0 | 0 | 106.3 | G16 A20 | G16-H18 VanDerWaalsContact C-N 3.28Å; G16-H18 PolarHBondContact O-N 2.81Å; H18-A20 PolarHBondContact O-N 3.15Å |
| 19 | R | 59.7 | Low | 60.1 | Low | 229 Ų | 229 | 125.6 Ų | 125.6 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 117.3 | 168.2 | -86.6 | -177.8 | 166.9 | 165.5 | -4 | 104.6 | R17 | R17-R19 PolarHBondContact O-N 2.98Š|
| 20 | A | 61.9 | Low | 62.4 | Low | 79 Ų | 79 | 117.4 Ų | 117.4 | 65% | 0.653 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 131.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | H18 S22 | H18-A20 PolarHBondContact O-N 3.15Å; A20-S22 PolarHBondContact O-N 2.89Å |
| 21 | P | 56.8 | Low | 64.9 | Low | 67 Ų | 67 | 117.1 Ų | 117.1 | 44% | 0.435 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 134.2 | -173.4 | 19.6 | -30.6 | 0 | 0 | 0 | 108.5 | E25 R26 | P21-E25 WeakPolarHBondContact CA-OE2 3.17Å; P21-E25 HydrophobicContact CB-CB 4.17Å; P21-R26 PolarHBondContact O-NH1 3.43Å; P21-R26 PolarHBondContact O-NH2 2.85Å |
| 22 | S | 67.7 | Low | 67.4 | Low | 71 Ų | 71 | 118.3 Ų | 118.3 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 150.9 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | A20 G24 E25 R26 | A20-S22 PolarHBondContact O-N 2.89Å; S22-G24 PolarHBondContact O-N 3.24Å; S22-G24 VanDerWaalsContact O-N 3.15Å; S22-E25 PolarHBondContact N-OE2 3.31Å; S22-E25 WeakPolarHBondContact O-CA 3.25Å; S22-E25 WeakPolarHBondContact O-CB 3.49Å; S22-E25 PolarHBondContact O-N 3.31Å; S22-R26 PolarHBondContact O-N 2.87Å |
| 23 | D | 69.1 | Low | 70.1 | Confident | 96 Ų | 96 | 118.2 Ų | 118.2 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.2 | -27.7 | 176.1 | -69.7 | -71.2 | 0 | 0 | 0 | 112 | E25 R26 L27 | D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact O-N 2.77Å; D23-R26 PolarHBondContact O-N 3.06Å; D23-R26 IonicContact OD1-CZ 3.16Å; D23-R26 IonicContact OD1-NE 2.8Å; D23-R26 PolarHBondContact OD1-NE 2.9Å; D23-R26 IonicContact OD1-NH2 2.73Å; D23-R26 PolarHBondContact OD1-NH2 3.11Å; D23-R26 IonicContact OD2-NH2 3.02Å; D23-R26 PolarHBondContact OD2-NH2 2.9Å; D23-L27 WeakPolarHBondContact O-CB 3.35Å; D23-L27 VanDerWaalsContact O-CG 3.22Å; D23-L27 WeakPolarHBondContact O-CG 3.27Å; D23-L27 PolarHBondContact O-N 2.82Å |
| 24 | G | 75.3 | Confident | 72.4 | Confident | 34 Ų | 34 | 120.1 Ų | 120.1 | 35% | 0.351 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.1 | -17.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S22 R28 | S22-G24 PolarHBondContact O-N 3.24Å; S22-G24 VanDerWaalsContact O-N 3.15Å; G24-R28 WeakPolarHBondContact O-CB 3.48Å; G24-R28 VanDerWaalsContact O-CG 3.24Å; G24-R28 WeakPolarHBondContact O-CG 3.31Å; G24-R28 PolarHBondContact O-N 3.4Å; G24-R28 PolarHBondContact O-NE 3.27Å |
| 25 | E | 77.3 | Confident | 74.8 | Confident | 92 Ų | 92 | 113 Ų | 113 | 43% | 0.43 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -87 | -39.8 | 171.2 | -69.8 | 162.2 | 168 | 0 | 0 | 110.8 | P21 S22 D23 R28 S29 | P21-E25 WeakPolarHBondContact CA-OE2 3.17Å; P21-E25 HydrophobicContact CB-CB 4.17Å; S22-E25 PolarHBondContact N-OE2 3.31Å; S22-E25 WeakPolarHBondContact O-CA 3.25Å; S22-E25 WeakPolarHBondContact O-CB 3.49Å; S22-E25 PolarHBondContact O-N 3.31Å; D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact O-N 2.77Å; E25-R28 PolarHBondContact O-N 3.19Å; E25-R28 IonicContact OE1-NH2 3.01Å; E25-S29 WeakPolarHBondContact O-CB 3.43Å; E25-S29 PolarHBondContact O-N 3.44Å |
| 26 | R | 81.1 | Confident | 77.4 | Confident | 109 Ų | 109 | 113.2 Ų | 113.2 | 41% | 0.411 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.2 | -48.7 | 169 | -72.6 | -169.9 | -90.6 | -84.3 | 1.7 | 111.3 | P21 S22 D23 S29 V30 | P21-R26 PolarHBondContact O-NH1 3.43Å; P21-R26 PolarHBondContact O-NH2 2.85Å; S22-R26 PolarHBondContact O-N 2.87Å; D23-R26 PolarHBondContact O-N 3.06Å; D23-R26 IonicContact OD1-CZ 3.16Å; D23-R26 IonicContact OD1-NE 2.8Å; D23-R26 PolarHBondContact OD1-NE 2.9Å; D23-R26 IonicContact OD1-NH2 2.73Å; D23-R26 PolarHBondContact OD1-NH2 3.11Å; D23-R26 IonicContact OD2-NH2 3.02Å; D23-R26 PolarHBondContact OD2-NH2 2.9Å; R26-S29 PolarHBondContact O-N 3.35Å; R26-V30 WeakPolarHBondContact O-CG2 3.29Å; R26-V30 PolarHBondContact O-N 2.81Å |
| 27 | L | 83.9 | Confident | 79.9 | Confident | 123 Ų | 123 | 113.9 Ų | 113.9 | 64% | 0.644 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.5 | -37.6 | 179.6 | -71.1 | 168.3 | 0 | 0 | 0 | 112.9 | D23 V30 R31 | D23-L27 WeakPolarHBondContact O-CB 3.35Å; D23-L27 VanDerWaalsContact O-CG 3.22Å; D23-L27 WeakPolarHBondContact O-CG 3.27Å; D23-L27 PolarHBondContact O-N 2.82Å; L27-V30 PolarHBondContact O-N 2.9Å; L27-R31 WeakPolarHBondContact O-CB 3.3Å; L27-R31 PolarHBondContact O-N 3.04Å |
| 28 | R | 87.5 | Confident | 82.3 | Confident | 140 Ų | 140 | 107.8 Ų | 107.8 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 173.1 | -82.2 | -178.1 | -69.5 | 173.1 | 4.5 | 111.9 | G24 E25 V30 R31 E32 | G24-R28 WeakPolarHBondContact O-CB 3.48Å; G24-R28 VanDerWaalsContact O-CG 3.24Å; G24-R28 WeakPolarHBondContact O-CG 3.31Å; G24-R28 PolarHBondContact O-N 3.4Å; G24-R28 PolarHBondContact O-NE 3.27Å; E25-R28 PolarHBondContact O-N 3.19Å; E25-R28 IonicContact OE1-NH2 3.01Å; R28-V30 VanDerWaalsContact C-N 3.3Å; R28-V30 PolarHBondContact O-N 3.31Å; R28-R31 WeakPolarHBondContact O-CA 3.31Å; R28-R31 WeakPolarHBondContact O-CB 3.34Å; R28-R31 PolarHBondContact O-N 2.86Å; R28-E32 WeakPolarHBondContact O-CG 3.19Å; R28-E32 PolarHBondContact O-N 3Å |
| 29 | S | 91.7 | Very high | 84.6 | Confident | 59 Ų | 59 | 101.9 Ų | 101.9 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -36 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 112.9 | E25 R26 R33 | E25-S29 WeakPolarHBondContact O-CB 3.43Å; E25-S29 PolarHBondContact O-N 3.44Å; R26-S29 PolarHBondContact O-N 3.35Å; S29-R33 WeakPolarHBondContact O-CB 3.3Å; S29-R33 VanDerWaalsContact O-CG 3.28Å; S29-R33 WeakPolarHBondContact O-CG 3.36Å; S29-R33 PolarHBondContact O-N 3.16Å |
| 30 | V | 94.3 | Very high | 86.4 | Confident | 73 Ų | 73 | 94.5 Ų | 94.5 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 172.2 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | R26 L27 R28 R33 L34 | R26-V30 WeakPolarHBondContact O-CG2 3.29Å; R26-V30 PolarHBondContact O-N 2.81Å; L27-V30 PolarHBondContact O-N 2.9Å; R28-V30 VanDerWaalsContact C-N 3.3Å; R28-V30 PolarHBondContact O-N 3.31Å; V30-R33 PolarHBondContact O-N 3.27Å; V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.47Å |
| 31 | R | 94.5 | Very high | 88.2 | Confident | 148 Ų | 148 | 96.2 Ų | 96.2 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.6 | -48 | 175.2 | -174.7 | -174.6 | 170.1 | -67.4 | -17.4 | 111.6 | L27 R28 R33 L34 E35 | L27-R31 WeakPolarHBondContact O-CB 3.3Å; L27-R31 PolarHBondContact O-N 3.04Å; R28-R31 WeakPolarHBondContact O-CA 3.31Å; R28-R31 WeakPolarHBondContact O-CB 3.34Å; R28-R31 PolarHBondContact O-N 2.86Å; R31-R33 VanDerWaalsContact C-N 3.32Å; R31-R33 PolarHBondContact O-N 3Å; R31-L34 WeakPolarHBondContact O-CB 3.43Å; R31-L34 PolarHBondContact O-N 2.9Å; R31-L34 VanDerWaalsContact O-N 3.16Å; R31-E35 IonicContact CZ-OE1 2.66Å; R31-E35 IonicContact CZ-OE2 3.38Å; R31-E35 IonicContact NH1-OE1 3.35Å; R31-E35 IonicContact NH1-OE2 3.96Å; R31-E35 PolarHBondContact NH1-OE2 3.24Å; R31-E35 IonicContact NH2-OE1 2.75Å; R31-E35 PolarHBondContact NH2-OE1 2.99Å; R31-E35 IonicContact NH2-OE2 3.7Å; R31-E35 PolarHBondContact NH2-OE2 2.97Å; R31-E35 WeakPolarHBondContact O-CB 3.43Å; R31-E35 PolarHBondContact O-N 3.48Å |
| 32 | E | 95.4 | Very high | 90.1 | Very high | 99 Ų | 99 | 94.9 Ų | 94.9 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 177.5 | -70.6 | 152.6 | -160.9 | 0 | 0 | 111.7 | R28 E35 L36 | R28-E32 WeakPolarHBondContact O-CG 3.19Å; R28-E32 PolarHBondContact O-N 3Å; E32-E35 PolarHBondContact O-N 3.44Å; E32-L36 WeakPolarHBondContact O-CB 3.44Å; E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.44Å |
| 33 | R | 95.9 | Very high | 91.6 | Very high | 153 Ų | 153 | 97.5 Ų | 97.5 | 58% | 0.577 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.1 | -36.6 | 173.8 | -76.7 | 179.6 | 61.1 | -144.4 | -9.2 | 113.4 | S29 V30 R31 M37 | S29-R33 WeakPolarHBondContact O-CB 3.3Å; S29-R33 VanDerWaalsContact O-CG 3.28Å; S29-R33 WeakPolarHBondContact O-CG 3.36Å; S29-R33 PolarHBondContact O-N 3.16Å; V30-R33 PolarHBondContact O-N 3.27Å; R31-R33 VanDerWaalsContact C-N 3.32Å; R31-R33 PolarHBondContact O-N 3Å; R33-M37 VanDerWaalsContact O-CG 3.3Å; R33-M37 WeakPolarHBondContact O-CG 3.21Å; R33-M37 PolarHBondContact O-N 3.4Å |
| 34 | L | 97.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 173.6 | -74.9 | 161.9 | 0 | 0 | 0 | 111 | V30 R31 M37 V38 | V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.47Å; R31-L34 WeakPolarHBondContact O-CB 3.43Å; R31-L34 PolarHBondContact O-N 2.9Å; R31-L34 VanDerWaalsContact O-N 3.16Å; L34-M37 HydrophobicContact CD2-CE 3.77Å; L34-M37 HydrophobicContact CG-CE 4.36Å; L34-M37 PolarHBondContact O-N 2.98Å; L34-V38 WeakPolarHBondContact O-CG2 3.34Å; L34-V38 PolarHBondContact O-N 2.98Å |
| 35 | E | 96.8 | Very high | 94 | Very high | 97 Ų | 97 | 100.9 Ų | 100.9 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.6 | -159.3 | 156.7 | -147 | 0 | 0 | 110.9 | R31 E32 V38 S39 | R31-E35 IonicContact CZ-OE1 2.66Å; R31-E35 IonicContact CZ-OE2 3.38Å; R31-E35 IonicContact NH1-OE1 3.35Å; R31-E35 IonicContact NH1-OE2 3.96Å; R31-E35 PolarHBondContact NH1-OE2 3.24Å; R31-E35 IonicContact NH2-OE1 2.75Å; R31-E35 PolarHBondContact NH2-OE1 2.99Å; R31-E35 IonicContact NH2-OE2 3.7Å; R31-E35 PolarHBondContact NH2-OE2 2.97Å; R31-E35 WeakPolarHBondContact O-CB 3.43Å; R31-E35 PolarHBondContact O-N 3.48Å; E32-E35 PolarHBondContact O-N 3.44Å; E35-V38 PolarHBondContact O-N 3.48Å; E35-S39 PolarHBondContact O-N 3.49Å; E35-S39 PolarHBondContact O-OG 3.24Å |
| 36 | L | 97.8 | Very high | 95 | Very high | 114 Ų | 114 | 103.5 Ų | 103.5 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 171.1 | -79.8 | 164 | 0 | 0 | 0 | 113.5 | E32 V38 S39 V40 | E32-L36 WeakPolarHBondContact O-CB 3.44Å; E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.44Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 2.93Å; L36-S39 PolarHBondContact O-N 2.85Å; L36-V40 WeakPolarHBondContact O-CG2 3.38Å; L36-V40 PolarHBondContact O-N 3.46Å |
| 37 | M | 97.9 | Very high | 95.8 | Very high | 93 Ų | 93 | 102.7 Ų | 102.7 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 177.6 | -74 | -174.7 | -53 | 0 | 0 | 112.2 | R33 L34 V40 L41 | R33-M37 VanDerWaalsContact O-CG 3.3Å; R33-M37 WeakPolarHBondContact O-CG 3.21Å; R33-M37 PolarHBondContact O-N 3.4Å; L34-M37 HydrophobicContact CD2-CE 3.77Å; L34-M37 HydrophobicContact CG-CE 4.36Å; L34-M37 PolarHBondContact O-N 2.98Å; M37-V40 PolarHBondContact O-N 3.45Å; M37-L41 WeakPolarHBondContact O-CB 3.45Å; M37-L41 VanDerWaalsContact O-CG 3.25Å; M37-L41 WeakPolarHBondContact O-CG 3.31Å; M37-L41 PolarHBondContact O-N 3Å |
| 38 | V | 97.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 104.5 Ų | 104.5 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -43.2 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 111 | L34 E35 L36 L41 G42 | L34-V38 WeakPolarHBondContact O-CG2 3.34Å; L34-V38 PolarHBondContact O-N 2.98Å; E35-V38 PolarHBondContact O-N 3.48Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 2.93Å; V38-L41 PolarHBondContact O-N 2.93Å; V38-G42 PolarHBondContact O-N 2.78Å |
| 39 | S | 97.3 | Very high | 97 | Very high | 66 Ų | 66 | 102.5 Ų | 102.5 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 173.9 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | E35 L36 L41 G42 E43 | E35-S39 PolarHBondContact O-N 3.49Å; E35-S39 PolarHBondContact O-OG 3.24Å; L36-S39 PolarHBondContact O-N 2.85Å; S39-L41 VanDerWaalsContact C-N 3.33Å; S39-L41 PolarHBondContact O-N 2.88Å; S39-G42 PolarHBondContact O-N 2.89Å; S39-G42 VanDerWaalsContact O-N 3.15Å; S39-E43 PolarHBondContact O-N 3.47Å |
| 40 | V | 98 | Very high | 97.3 | Very high | 75 Ų | 75 | 106.5 Ų | 106.5 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 178.6 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | L36 M37 E43 L44 | L36-V40 WeakPolarHBondContact O-CG2 3.38Å; L36-V40 PolarHBondContact O-N 3.46Å; M37-V40 PolarHBondContact O-N 3.45Å; V40-E43 PolarHBondContact O-N 2.95Å; V40-L44 HydrophobicContact CG1-CD1 4.02Å; V40-L44 HydrophobicContact CG1-CG 4.44Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 VanDerWaalsContact O-CG 3.26Å; V40-L44 WeakPolarHBondContact O-CG 3.49Å; V40-L44 PolarHBondContact O-N 3.45Å |
| 41 | L | 98.3 | Very high | 97.5 | Very high | 115 Ų | 115 | 109.5 Ų | 109.5 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 174.5 | -74.9 | 168.1 | 0 | 0 | 0 | 112.1 | M37 V38 S39 L44 E45 | M37-L41 WeakPolarHBondContact O-CB 3.45Å; M37-L41 VanDerWaalsContact O-CG 3.25Å; M37-L41 WeakPolarHBondContact O-CG 3.31Å; M37-L41 PolarHBondContact O-N 3Å; V38-L41 PolarHBondContact O-N 2.93Å; S39-L41 VanDerWaalsContact C-N 3.33Å; S39-L41 PolarHBondContact O-N 2.88Å; L41-L44 PolarHBondContact O-N 2.87Å; L41-E45 WeakPolarHBondContact O-CB 3.44Å; L41-E45 PolarHBondContact O-N 3.2Å |
| 42 | G | 97.9 | Very high | 97.7 | Very high | 38 Ų | 38 | 107.4 Ų | 107.4 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V38 S39 E45 Y46 | V38-G42 PolarHBondContact O-N 2.78Å; S39-G42 PolarHBondContact O-N 2.89Å; S39-G42 VanDerWaalsContact O-N 3.15Å; G42-E45 PolarHBondContact O-N 3.07Å; G42-Y46 PolarHBondContact O-N 3.33Å |
| 43 | E | 97.8 | Very high | 97.8 | Very high | 126 Ų | 126 | 108.4 Ų | 108.4 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 173.5 | -72.3 | 177.7 | -163.8 | 0 | 0 | 112 | S39 V40 Y46 L47 | S39-E43 PolarHBondContact O-N 3.47Å; V40-E43 PolarHBondContact O-N 2.95Å; E43-Y46 PolarHBondContact O-N 3.4Å; E43-L47 WeakPolarHBondContact O-CB 3.42Å; E43-L47 VanDerWaalsContact O-CG 3.31Å; E43-L47 WeakPolarHBondContact O-CG 3.4Å; E43-L47 PolarHBondContact O-N 3.32Å |
| 44 | L | 98.3 | Very high | 97.8 | Very high | 98 Ų | 98 | 106.1 Ų | 106.1 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -35.2 | 176.1 | -71.4 | 170.2 | 0 | 0 | 0 | 112.7 | V40 L41 R48 | V40-L44 HydrophobicContact CG1-CD1 4.02Å; V40-L44 HydrophobicContact CG1-CG 4.44Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 VanDerWaalsContact O-CG 3.26Å; V40-L44 WeakPolarHBondContact O-CG 3.49Å; V40-L44 PolarHBondContact O-N 3.45Å; L41-L44 PolarHBondContact O-N 2.87Å; L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 PolarHBondContact O-N 3.04Å |
| 45 | E | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 105.1 Ų | 105.1 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.5 | -38.5 | 174.5 | -178.9 | 159.3 | -124.2 | 0 | 0 | 112.6 | L41 G42 R48 H49 | L41-E45 WeakPolarHBondContact O-CB 3.44Å; L41-E45 PolarHBondContact O-N 3.2Å; G42-E45 PolarHBondContact O-N 3.07Å; E45-R48 PolarHBondContact O-N 3.09Å; E45-H49 PolarHBondContact O-N 3.26Å; E45-H49 PolarHBondContact O-ND1 3.22Å |
| 46 | Y | 98.1 | Very high | 97.8 | Very high | 147 Ų | 147 | 105.1 Ų | 105.1 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -46 | 171.5 | 171.2 | -99.6 | 0 | 0 | 0 | 111.8 | G42 E43 R48 H49 R50 | G42-Y46 PolarHBondContact O-N 3.33Å; E43-Y46 PolarHBondContact O-N 3.4Å; Y46-R48 VanDerWaalsContact C-N 3.33Å; Y46-R48 PolarHBondContact O-N 2.92Å; Y46-H49 PolarHBondContact O-N 3.16Å; Y46-R50 WeakPolarHBondContact O-CB 3.46Å; Y46-R50 PolarHBondContact O-N 3.28Å |
| 47 | L | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 102.7 Ų | 102.7 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 176.4 | -72.5 | 172.6 | 0 | 0 | 0 | 111.8 | E43 R50 Q51 | E43-L47 WeakPolarHBondContact O-CB 3.42Å; E43-L47 VanDerWaalsContact O-CG 3.31Å; E43-L47 WeakPolarHBondContact O-CG 3.4Å; E43-L47 PolarHBondContact O-N 3.32Å; L47-R50 PolarHBondContact O-N 3.18Å; L47-Q51 WeakPolarHBondContact O-CB 3.42Å; L47-Q51 PolarHBondContact O-N 3.37Å |
| 48 | R | 98.3 | Very high | 97.3 | Very high | 160 Ų | 160 | 100.8 Ų | 100.8 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.9 | -49.6 | 173.6 | -168 | -161.4 | -52.4 | -178.4 | 7.6 | 111.6 | L44 E45 Y46 R50 Q51 Q52 | L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 PolarHBondContact O-N 3.04Å; E45-R48 PolarHBondContact O-N 3.09Å; Y46-R48 VanDerWaalsContact C-N 3.33Å; Y46-R48 PolarHBondContact O-N 2.92Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3Å; R48-Q51 PolarHBondContact O-N 3.01Å; R48-Q52 WeakPolarHBondContact O-CB 3.35Å; R48-Q52 PolarHBondContact O-N 2.89Å |
| 49 | H | 98.3 | Very high | 96.9 | Very high | 99 Ų | 99 | 100.1 Ų | 100.1 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 177.1 | -83.4 | 89.9 | 0 | 0 | 0 | 112 | E45 Y46 Q51 Q52 L53 | E45-H49 PolarHBondContact O-N 3.26Å; E45-H49 PolarHBondContact O-ND1 3.22Å; Y46-H49 PolarHBondContact O-N 3.16Å; H49-Q51 PolarHBondContact O-N 3.42Å; H49-Q52 PolarHBondContact O-N 3.48Å; H49-L53 WeakPolarHBondContact O-CG 3.4Å; H49-L53 PolarHBondContact O-N 3.27Å |
| 50 | R | 98.3 | Very high | 96.3 | Very high | 143 Ų | 143 | 103.8 Ų | 103.8 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.7 | -177.7 | 176.2 | 174.6 | 177.3 | -2.4 | 111.9 | Y46 L47 R48 L53 L54 | Y46-R50 WeakPolarHBondContact O-CB 3.46Å; Y46-R50 PolarHBondContact O-N 3.28Å; L47-R50 PolarHBondContact O-N 3.18Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3Å; R50-L53 PolarHBondContact O-N 3.23Å; R50-L54 HydrophobicContact CG-CD1 4.36Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.04Å; R50-L54 VanDerWaalsContact O-N 3.09Å |
| 51 | Q | 98 | Very high | 95.1 | Very high | 135 Ų | 135 | 106.3 Ų | 106.3 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.8 | -40.2 | 177.1 | -171.9 | 173.2 | 2.4 | 0 | 0 | 111.9 | L47 R48 H49 L53 L54 V55 | L47-Q51 WeakPolarHBondContact O-CB 3.42Å; L47-Q51 PolarHBondContact O-N 3.37Å; R48-Q51 PolarHBondContact O-N 3.01Å; H49-Q51 PolarHBondContact O-N 3.42Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; Q51-L53 PolarHBondContact O-N 2.7Å; Q51-L54 PolarHBondContact O-N 3.14Å; Q51-V55 WeakPolarHBondContact O-CG2 3.39Å; Q51-V55 PolarHBondContact O-N 2.91Å |
| 52 | Q | 97.9 | Very high | 93.6 | Very high | 104 Ų | 104 | 106.6 Ų | 106.6 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 174.7 | -176.5 | 178.7 | -1.1 | 0 | 0 | 111.7 | R48 H49 V55 L56 | R48-Q52 WeakPolarHBondContact O-CB 3.35Å; R48-Q52 PolarHBondContact O-N 2.89Å; H49-Q52 PolarHBondContact O-N 3.48Å; Q52-V55 PolarHBondContact O-N 3.12Å; Q52-L56 HydrophobicContact CG-CD1 4.07Å; Q52-L56 WeakPolarHBondContact O-CB 3.36Å; Q52-L56 VanDerWaalsContact O-CG 3.27Å; Q52-L56 WeakPolarHBondContact O-CG 3.46Å; Q52-L56 PolarHBondContact O-N 3.49Å |
| 53 | L | 97.3 | Very high | 92.2 | Very high | 121 Ų | 121 | 108.7 Ų | 108.7 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 174.9 | -72.3 | 171.4 | 0 | 0 | 0 | 112.2 | H49 R50 Q51 L56 S57 | H49-L53 WeakPolarHBondContact O-CG 3.4Å; H49-L53 PolarHBondContact O-N 3.27Å; R50-L53 PolarHBondContact O-N 3.23Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; Q51-L53 PolarHBondContact O-N 2.7Å; L53-L56 PolarHBondContact O-N 2.92Å; L53-S57 PolarHBondContact O-N 3.46Å; L53-S57 PolarHBondContact O-OG 3.12Å; L53-S57 VanDerWaalsContact O-OG 3.12Å |
| 54 | L | 97.2 | Very high | 90.6 | Very high | 105 Ų | 105 | 108.5 Ų | 108.5 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.9 | -72.7 | 168.1 | 0 | 0 | 0 | 112.5 | R50 Q51 S57 A58 | R50-L54 HydrophobicContact CG-CD1 4.36Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.04Å; R50-L54 VanDerWaalsContact O-N 3.09Å; Q51-L54 PolarHBondContact O-N 3.14Å; L54-S57 WeakPolarHBondContact CA-OG 3.44Å; L54-S57 PolarHBondContact O-N 2.9Å; L54-S57 PolarHBondContact O-OG 3.19Å; L54-A58 PolarHBondContact O-N 2.9Å |
| 55 | V | 97.1 | Very high | 88.9 | Confident | 74 Ų | 74 | 110 Ų | 110 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | Q51 Q52 S57 A58 L59 | Q51-V55 WeakPolarHBondContact O-CG2 3.39Å; Q51-V55 PolarHBondContact O-N 2.91Å; Q52-V55 PolarHBondContact O-N 3.12Å; V55-S57 VanDerWaalsContact C-N 3.32Å; V55-S57 PolarHBondContact O-N 2.97Å; V55-A58 PolarHBondContact O-N 2.79Å; V55-L59 HydrophobicContact CG1-CD1 3.81Å; V55-L59 HydrophobicContact CG1-CG 4.33Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.42Å |
| 56 | L | 95.9 | Very high | 87.1 | Confident | 97 Ų | 97 | 108.1 Ų | 108.1 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.8 | -30.5 | 176.7 | -72.1 | 171.8 | 0 | 0 | 0 | 113.1 | Q52 L53 K60 | Q52-L56 HydrophobicContact CG-CD1 4.07Å; Q52-L56 WeakPolarHBondContact O-CB 3.36Å; Q52-L56 VanDerWaalsContact O-CG 3.27Å; Q52-L56 WeakPolarHBondContact O-CG 3.46Å; Q52-L56 PolarHBondContact O-N 3.49Å; L53-L56 PolarHBondContact O-N 2.92Å; L56-K60 WeakPolarHBondContact O-CB 3.4Å; L56-K60 PolarHBondContact O-N 3.31Å |
| 57 | S | 92.9 | Very high | 85.3 | Confident | 62 Ų | 62 | 109.8 Ų | 109.8 | 43% | 0.434 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.3 | -44.6 | 170.2 | 45.8 | 0 | 0 | 0 | 0 | 112.3 | L53 L54 V55 K60 E61 | L53-S57 PolarHBondContact O-N 3.46Å; L53-S57 PolarHBondContact O-OG 3.12Å; L53-S57 VanDerWaalsContact O-OG 3.12Å; L54-S57 WeakPolarHBondContact CA-OG 3.44Å; L54-S57 PolarHBondContact O-N 2.9Å; L54-S57 PolarHBondContact O-OG 3.19Å; V55-S57 VanDerWaalsContact C-N 3.32Å; V55-S57 PolarHBondContact O-N 2.97Å; S57-K60 CarbonylContact O-C 3.57Å; S57-K60 PolarHBondContact O-N 3.31Å; S57-E61 PolarHBondContact O-N 2.97Å |
| 58 | A | 92.4 | Very high | 83.6 | Confident | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -48.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L54 V55 K60 E61 E62 | L54-A58 PolarHBondContact O-N 2.9Å; V55-A58 PolarHBondContact O-N 2.79Å; A58-K60 PolarHBondContact O-N 3.42Å; A58-E61 WeakPolarHBondContact O-CA 3.2Å; A58-E61 WeakPolarHBondContact O-CB 3.25Å; A58-E61 PolarHBondContact O-N 2.99Å; A58-E62 PolarHBondContact O-N 3.11Å |
| 59 | L | 89.4 | Confident | 81.7 | Confident | 87 Ų | 87 | 105.9 Ų | 105.9 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60 | -32.2 | 175.6 | -67.5 | 170.3 | 0 | 0 | 0 | 112.4 | V55 E61 V63 | V55-L59 HydrophobicContact CG1-CD1 3.81Å; V55-L59 HydrophobicContact CG1-CG 4.33Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.42Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-V63 WeakPolarHBondContact O-CB 3.47Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.25Å; L59-V63 VanDerWaalsContact O-N 3.13Å |
| 60 | K | 84.4 | Confident | 80.2 | Confident | 144 Ų | 144 | 103.8 Ų | 103.8 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -79.2 | -15.3 | 176.4 | -173.8 | 169.7 | -178 | 175.1 | 0 | 113.3 | L56 S57 A58 K64 | L56-K60 WeakPolarHBondContact O-CB 3.4Å; L56-K60 PolarHBondContact O-N 3.31Å; S57-K60 CarbonylContact O-C 3.57Å; S57-K60 PolarHBondContact O-N 3.31Å; A58-K60 PolarHBondContact O-N 3.42Å; K60-K64 WeakPolarHBondContact O-CD 3.33Å; K60-K64 VanDerWaalsContact O-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CG 3.2Å |
| 61 | E | 72.5 | Confident | 78.7 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -87.2 | -48.4 | 174.3 | -162.3 | 143.3 | -126.4 | 0 | 0 | 109.6 | S57 A58 L59 V63 K64 E65 | S57-E61 PolarHBondContact O-N 2.97Å; A58-E61 WeakPolarHBondContact O-CA 3.2Å; A58-E61 WeakPolarHBondContact O-CB 3.25Å; A58-E61 PolarHBondContact O-N 2.99Å; L59-E61 VanDerWaalsContact C-N 3.33Å; E61-V63 PolarHBondContact O-N 2.96Å; E61-K64 WeakPolarHBondContact O-CA 3.33Å; E61-K64 WeakPolarHBondContact O-CB 3.25Å; E61-K64 PolarHBondContact O-N 2.93Å; E61-E65 PolarHBondContact O-N 2.87Å |
| 62 | E | 67.7 | Low | 77.1 | Confident | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -53.6 | -46.7 | 172.1 | -174.4 | 173.9 | -152.6 | 0 | 0 | 112.5 | A58 K64 E65 A66 | A58-E62 PolarHBondContact O-N 3.11Å; E62-K64 PolarHBondContact O-N 2.94Å; E62-E65 PolarHBondContact O-N 3.03Å; E62-A66 WeakPolarHBondContact O-CB 3.49Å; E62-A66 PolarHBondContact O-N 3.47Å |
| 63 | V | 68 | Low | 75.7 | Confident | 81 Ų | 81 | 98.7 Ų | 98.7 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.2 | -16.8 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 113.4 | L59 E61 R67 | L59-V63 WeakPolarHBondContact O-CB 3.47Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.25Å; L59-V63 VanDerWaalsContact O-N 3.13Å; E61-V63 PolarHBondContact O-N 2.96Å; V63-R67 VanDerWaalsContact O-CD 3.27Å; V63-R67 WeakPolarHBondContact O-CD 3.42Å; V63-R67 WeakPolarHBondContact O-CG 3.29Å |
| 64 | K | 65 | Low | 74.3 | Confident | 122 Ų | 122 | 96.4 Ų | 96.4 | 53% | 0.53 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -85 | -47.4 | 170.1 | -74.8 | 168.9 | 177.1 | -178.4 | 0 | 111.4 | K60 E61 E62 R67 C68 | K60-K64 WeakPolarHBondContact O-CD 3.33Å; K60-K64 VanDerWaalsContact O-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CG 3.2Å; E61-K64 WeakPolarHBondContact O-CA 3.33Å; E61-K64 WeakPolarHBondContact O-CB 3.25Å; E61-K64 PolarHBondContact O-N 2.93Å; E62-K64 PolarHBondContact O-N 2.94Å; K64-R67 CarbonylContact O-C 3.58Å; K64-R67 WeakPolarHBondContact O-CB 3.46Å; K64-R67 PolarHBondContact O-N 3.27Å; K64-C68 PolarHBondContact O-N 3.26Å; K64-C68 PolarHBondContact O-SG 3.28Å |
| 65 | E | 60.9 | Low | 73.5 | Confident | 129 Ų | 129 | 96 Ų | 96 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.4 | -51.3 | -177.1 | -162.8 | 160.6 | -147.7 | 0 | 0 | 109.9 | E61 E62 R67 C68 D69 | E61-E65 PolarHBondContact O-N 2.87Å; E62-E65 PolarHBondContact O-N 3.03Å; E65-R67 PolarHBondContact O-N 3.19Å; E65-R67 VanDerWaalsContact O-N 3.15Å; E65-C68 PolarHBondContact O-N 3.31Å; E65-C68 VanDerWaalsContact O-N 3.09Å; E65-D69 PolarHBondContact O-N 2.79Å |
| 66 | A | 61.6 | Low | 72.8 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -28.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E62 A70 | E62-A66 WeakPolarHBondContact O-CB 3.49Å; E62-A66 PolarHBondContact O-N 3.47Å; A66-A70 VanDerWaalsContact O-CB 3.29Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.42Å |
| 67 | R | 60.3 | Low | 72.4 | Confident | 182 Ų | 182 | 98.8 Ų | 98.8 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -80.1 | -38.1 | 174.7 | -77.1 | 179.8 | -178.9 | -146.5 | -2.1 | 112.4 | V63 K64 E65 Q71 | V63-R67 VanDerWaalsContact O-CD 3.27Å; V63-R67 WeakPolarHBondContact O-CD 3.42Å; V63-R67 WeakPolarHBondContact O-CG 3.29Å; K64-R67 CarbonylContact O-C 3.58Å; K64-R67 WeakPolarHBondContact O-CB 3.46Å; K64-R67 PolarHBondContact O-N 3.27Å; E65-R67 PolarHBondContact O-N 3.19Å; E65-R67 VanDerWaalsContact O-N 3.15Å; R67-Q71 VanDerWaalsContact O-CB 3.26Å; R67-Q71 WeakPolarHBondContact O-CB 3.35Å; R67-Q71 PolarHBondContact O-N 2.93Å |
| 68 | C | 61.3 | Low | 72.4 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 175.9 | -73.3 | 0 | 0 | 0 | 0 | 110.8 | K64 E65 Q71 L72 | K64-C68 PolarHBondContact O-N 3.26Å; K64-C68 PolarHBondContact O-SG 3.28Å; E65-C68 PolarHBondContact O-N 3.31Å; E65-C68 VanDerWaalsContact O-N 3.09Å; C68-Q71 PolarHBondContact O-N 3.42Å; C68-L72 WeakPolarHBondContact O-CB 3.41Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.28Å; C68-L72 PolarHBondContact O-N 3.27Å |
| 69 | D | 60.2 | Low | 72.3 | Confident | 101 Ų | 101 | 102.1 Ų | 102.1 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 179.9 | -68.5 | -14.1 | 0 | 0 | 0 | 111.9 | E65 Q71 S73 | E65-D69 PolarHBondContact O-N 2.79Å; D69-Q71 PolarHBondContact O-N 3.42Å; D69-S73 VanDerWaalsContact O-CB 3.25Å; D69-S73 WeakPolarHBondContact O-CB 3.41Å; D69-S73 PolarHBondContact O-N 3Å |
| 70 | A | 65.6 | Low | 72.4 | Confident | 54 Ų | 54 | 101.6 Ų | 101.6 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A66 C74 | A66-A70 VanDerWaalsContact O-CB 3.29Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.42Å; A70-C74 WeakPolarHBondContact O-CB 3.44Å; A70-C74 PolarHBondContact O-N 3.49Å; A70-C74 PolarHBondContact O-SG 2.95Å |
| 71 | Q | 67.2 | Low | 72.8 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 179.2 | -176.6 | 173.7 | -21.7 | 0 | 0 | 112.2 | R67 C68 D69 C74 E75 | R67-Q71 VanDerWaalsContact O-CB 3.26Å; R67-Q71 WeakPolarHBondContact O-CB 3.35Å; R67-Q71 PolarHBondContact O-N 2.93Å; C68-Q71 PolarHBondContact O-N 3.42Å; D69-Q71 PolarHBondContact O-N 3.42Å; Q71-C74 PolarHBondContact O-N 3.48Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.2Å; Q71-E75 PolarHBondContact NE2-OE1 3.34Å; Q71-E75 WeakPolarHBondContact O-CG 3.42Å; Q71-E75 PolarHBondContact O-N 3.44Å |
| 72 | L | 65.3 | Low | 73.7 | Confident | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 177.1 | -71.5 | 169 | 0 | 0 | 0 | 111.1 | C68 C74 E75 E76 | C68-L72 WeakPolarHBondContact O-CB 3.41Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.28Å; C68-L72 PolarHBondContact O-N 3.27Å; L72-C74 VanDerWaalsContact C-N 3.34Å; L72-C74 PolarHBondContact O-N 3.12Å; L72-E75 PolarHBondContact O-N 2.92Å; L72-E76 WeakPolarHBondContact O-CG 3.45Å; L72-E76 PolarHBondContact O-N 3.21Å |
| 73 | S | 67.6 | Low | 74.8 | Confident | 60 Ų | 60 | 102.8 Ų | 102.8 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 173.1 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | D69 N77 | D69-S73 VanDerWaalsContact O-CB 3.25Å; D69-S73 WeakPolarHBondContact O-CB 3.41Å; D69-S73 PolarHBondContact O-N 3Å; S73-N77 WeakPolarHBondContact O-CB 3.43Å; S73-N77 PolarHBondContact O-N 3.42Å; S73-N77 PolarHBondContact O-ND2 2.97Å |
| 74 | C | 67.1 | Low | 75.9 | Confident | 73 Ų | 73 | 104 Ų | 104 | 49% | 0.493 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.5 | -75 | 0 | 0 | 0 | 0 | 112.6 | A70 Q71 L72 N77 I78 | A70-C74 WeakPolarHBondContact O-CB 3.44Å; A70-C74 PolarHBondContact O-N 3.49Å; A70-C74 PolarHBondContact O-SG 2.95Å; Q71-C74 PolarHBondContact O-N 3.48Å; L72-C74 VanDerWaalsContact C-N 3.34Å; L72-C74 PolarHBondContact O-N 3.12Å; C74-N77 PolarHBondContact O-N 2.89Å; C74-I78 WeakPolarHBondContact O-CB 3.27Å; C74-I78 WeakPolarHBondContact O-CD1 3.24Å; C74-I78 WeakPolarHBondContact O-CG1 3.2Å; C74-I78 PolarHBondContact O-N 3.25Å |
| 75 | E | 80.4 | Confident | 77 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 178.8 | -73.3 | 179.4 | -155.7 | 0 | 0 | 112.2 | Q71 L72 I78 L79 | Q71-E75 WeakPolarHBondContact CG-OE1 3.2Å; Q71-E75 PolarHBondContact NE2-OE1 3.34Å; Q71-E75 WeakPolarHBondContact O-CG 3.42Å; Q71-E75 PolarHBondContact O-N 3.44Å; L72-E75 PolarHBondContact O-N 2.92Å; E75-I78 PolarHBondContact O-N 2.98Å; E75-L79 WeakPolarHBondContact O-CG 3.4Å; E75-L79 PolarHBondContact O-N 3.03Å |
| 76 | E | 82.6 | Confident | 78.1 | Confident | 138 Ų | 138 | 99.4 Ų | 99.4 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 173.2 | -72.3 | -170.1 | 164.2 | 0 | 0 | 112.2 | L72 I78 L79 V80 | L72-E76 WeakPolarHBondContact O-CG 3.45Å; L72-E76 PolarHBondContact O-N 3.21Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 3.22Å; E76-L79 WeakPolarHBondContact O-CB 3.42Å; E76-L79 PolarHBondContact O-N 3.04Å; E76-L79 VanDerWaalsContact O-N 3.12Å; E76-V80 WeakPolarHBondContact O-CG2 3.35Å; E76-V80 PolarHBondContact O-N 2.93Å |
| 77 | N | 88.2 | Confident | 79 | Confident | 90 Ų | 90 | 98.6 Ų | 98.6 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 176.5 | -80.8 | -67.3 | 0 | 0 | 0 | 112 | S73 C74 L79 V80 L81 | S73-N77 WeakPolarHBondContact O-CB 3.43Å; S73-N77 PolarHBondContact O-N 3.42Å; S73-N77 PolarHBondContact O-ND2 2.97Å; C74-N77 PolarHBondContact O-N 2.89Å; N77-L79 VanDerWaalsContact C-N 3.31Å; N77-L79 PolarHBondContact O-N 3.48Å; N77-V80 PolarHBondContact O-N 3.25Å; N77-L81 WeakPolarHBondContact O-CB 3.44Å; N77-L81 WeakPolarHBondContact O-CG 3.36Å; N77-L81 PolarHBondContact O-N 3.17Å |
| 78 | I | 92.5 | Very high | 79.9 | Confident | 76 Ų | 76 | 95.3 Ų | 95.3 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 174.1 | -72.2 | 165.2 | 0 | 0 | 0 | 111.3 | C74 E75 E76 R82 | C74-I78 WeakPolarHBondContact O-CB 3.27Å; C74-I78 WeakPolarHBondContact O-CD1 3.24Å; C74-I78 WeakPolarHBondContact O-CG1 3.2Å; C74-I78 PolarHBondContact O-N 3.25Å; E75-I78 PolarHBondContact O-N 2.98Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 3.22Å; I78-R82 WeakPolarHBondContact O-CB 3.2Å; I78-R82 WeakPolarHBondContact O-CG 3.26Å; I78-R82 PolarHBondContact O-N 2.97Å |
| 79 | L | 90.9 | Very high | 80.5 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.3 | -39.7 | 174.9 | -72.3 | 168.3 | 0 | 0 | 0 | 112.3 | E75 E76 N77 R82 K83 | E75-L79 WeakPolarHBondContact O-CG 3.4Å; E75-L79 PolarHBondContact O-N 3.03Å; E76-L79 WeakPolarHBondContact O-CB 3.42Å; E76-L79 PolarHBondContact O-N 3.04Å; E76-L79 VanDerWaalsContact O-N 3.12Å; N77-L79 VanDerWaalsContact C-N 3.31Å; N77-L79 PolarHBondContact O-N 3.48Å; L79-R82 PolarHBondContact O-N 3.14Å; L79-K83 WeakPolarHBondContact O-CB 3.29Å; L79-K83 PolarHBondContact O-N 3.37Å |
| 80 | V | 92 | Very high | 81 | Confident | 76 Ų | 76 | 103.7 Ų | 103.7 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 111 | E76 N77 R82 K83 Q84 | E76-V80 WeakPolarHBondContact O-CG2 3.35Å; E76-V80 PolarHBondContact O-N 2.93Å; N77-V80 PolarHBondContact O-N 3.25Å; V80-R82 PolarHBondContact O-N 2.85Å; V80-K83 WeakPolarHBondContact O-CB 3.5Å; V80-K83 PolarHBondContact O-N 3.2Å; V80-K83 VanDerWaalsContact O-N 3.12Å; V80-Q84 WeakPolarHBondContact O-CG 3.37Å; V80-Q84 PolarHBondContact O-N 3.41Å |
| 81 | L | 92.3 | Very high | 81 | Confident | 97 Ų | 97 | 105.4 Ų | 105.4 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 177.2 | -72.5 | 167.7 | 0 | 0 | 0 | 112 | N77 K83 Q84 L85 | N77-L81 WeakPolarHBondContact O-CB 3.44Å; N77-L81 WeakPolarHBondContact O-CG 3.36Å; N77-L81 PolarHBondContact O-N 3.17Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 2.85Å; L81-Q84 PolarHBondContact O-N 2.82Å; L81-L85 WeakPolarHBondContact O-CB 3.37Å; L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 2.93Å |
| 82 | R | 90.4 | Very high | 80.7 | Confident | 167 Ų | 167 | 101.7 Ų | 101.7 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -37.2 | 173.7 | -76.5 | 171.2 | 177.4 | 174.6 | 1.3 | 112.4 | I78 L79 V80 S86 | I78-R82 WeakPolarHBondContact O-CB 3.2Å; I78-R82 WeakPolarHBondContact O-CG 3.26Å; I78-R82 PolarHBondContact O-N 2.97Å; L79-R82 PolarHBondContact O-N 3.14Å; V80-R82 PolarHBondContact O-N 2.85Å; R82-S86 WeakPolarHBondContact O-CB 3.39Å; R82-S86 PolarHBondContact O-N 3.41Å |
| 83 | K | 90.8 | Very high | 80.8 | Confident | 155 Ų | 155 | 98.3 Ų | 98.3 | 67% | 0.674 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.5 | -41.9 | 175.8 | -171.3 | -177.3 | 177.3 | -176 | 0 | 111.9 | L79 V80 L81 S86 C87 | L79-K83 WeakPolarHBondContact O-CB 3.29Å; L79-K83 PolarHBondContact O-N 3.37Å; V80-K83 WeakPolarHBondContact O-CB 3.5Å; V80-K83 PolarHBondContact O-N 3.2Å; V80-K83 VanDerWaalsContact O-N 3.12Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 2.85Å; K83-S86 WeakPolarHBondContact O-CB 3.34Å; K83-S86 PolarHBondContact O-N 2.99Å; K83-C87 PolarHBondContact O-N 3.3Å; K83-C87 PolarHBondContact O-SG 3.13Å |
| 84 | Q | 91.3 | Very high | 81.1 | Confident | 107 Ų | 107 | 99.2 Ų | 99.2 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 174.8 | -73.3 | 172.2 | -28.7 | 0 | 0 | 111.6 | V80 L81 S86 C87 L88 | V80-Q84 WeakPolarHBondContact O-CG 3.37Å; V80-Q84 PolarHBondContact O-N 3.41Å; L81-Q84 PolarHBondContact O-N 2.82Å; Q84-S86 PolarHBondContact O-N 2.91Å; Q84-C87 WeakPolarHBondContact O-CA 3.17Å; Q84-C87 WeakPolarHBondContact O-CB 3.25Å; Q84-C87 PolarHBondContact O-N 3.41Å; Q84-L88 PolarHBondContact O-N 3.35Å |
| 85 | L | 89.6 | Confident | 81.4 | Confident | 95 Ų | 95 | 101.6 Ų | 101.6 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -31.5 | 173.6 | -72 | 168.4 | 0 | 0 | 0 | 112.4 | L81 R89 | L81-L85 WeakPolarHBondContact O-CB 3.37Å; L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 2.93Å; L85-R89 VanDerWaalsContact O-CB 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.23Å; L85-R89 WeakPolarHBondContact O-CG 3.43Å; L85-R89 PolarHBondContact O-N 3.05Å |
| 86 | S | 84 | Confident | 81.4 | Confident | 59 Ų | 59 | 100.5 Ų | 100.5 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -28.6 | 171.7 | 176.2 | 0 | 0 | 0 | 0 | 113.3 | R82 K83 Q84 R90 | R82-S86 WeakPolarHBondContact O-CB 3.39Å; R82-S86 PolarHBondContact O-N 3.41Å; K83-S86 WeakPolarHBondContact O-CB 3.34Å; K83-S86 PolarHBondContact O-N 2.99Å; Q84-S86 PolarHBondContact O-N 2.91Å; S86-R90 VanDerWaalsContact O-CZ 3.23Å; S86-R90 PolarHBondContact O-N 3.43Å; S86-R90 PolarHBondContact O-NE 3.09Å; S86-R90 VanDerWaalsContact O-NE 3.12Å; S86-R90 PolarHBondContact O-NH2 2.83Å |
| 87 | C | 79.6 | Confident | 81.5 | Confident | 47 Ų | 47 | 99.4 Ų | 99.4 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.5 | -57 | 168.9 | -65.7 | 0 | 0 | 0 | 0 | 110.6 | K83 Q84 R89 R90 D91 | K83-C87 PolarHBondContact O-N 3.3Å; K83-C87 PolarHBondContact O-SG 3.13Å; Q84-C87 WeakPolarHBondContact O-CA 3.17Å; Q84-C87 WeakPolarHBondContact O-CB 3.25Å; Q84-C87 PolarHBondContact O-N 3.41Å; C87-R89 PolarHBondContact O-N 2.9Å; C87-R89 VanDerWaalsContact O-N 3.11Å; C87-R90 VanDerWaalsContact CA-NH2 3.33Å; C87-R90 WeakPolarHBondContact O-CA 3.49Å; C87-R90 WeakPolarHBondContact O-CB 3.11Å; C87-R90 PolarHBondContact O-N 3.06Å; C87-R90 PolarHBondContact SG-NH2 3.28Å; C87-D91 VanDerWaalsContact C-OD2 3.29Å; C87-D91 PolarHBondContact O-N 3.37Å; C87-D91 VanDerWaalsContact O-OD2 3.07Å |
| 88 | L | 78.3 | Confident | 81.3 | Confident | 114 Ų | 114 | 100.8 Ų | 100.8 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -31.3 | -178.3 | -62.3 | 170.8 | 0 | 0 | 0 | 112.9 | Q84 D91 A92 | Q84-L88 PolarHBondContact O-N 3.35Å; L88-D91 WeakPolarHBondContact CA-OD2 3.36Å; L88-D91 PolarHBondContact O-N 3.15Å; L88-A92 PolarHBondContact O-N 3.06Å |
| 89 | R | 75.4 | Confident | 80.9 | Confident | 201 Ų | 201 | 103.3 Ų | 103.3 | 76% | 0.758 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -78.2 | -12.8 | 173.2 | -73.1 | 176.9 | -179.8 | -137.4 | 0.5 | 115.2 | L85 C87 | L85-R89 VanDerWaalsContact O-CB 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.23Å; L85-R89 WeakPolarHBondContact O-CG 3.43Å; L85-R89 PolarHBondContact O-N 3.05Å; C87-R89 PolarHBondContact O-N 2.9Å; C87-R89 VanDerWaalsContact O-N 3.11Å |
| 90 | R | 69.8 | Low | 80.9 | Confident | 145 Ų | 145 | 103.7 Ų | 103.7 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -86.2 | -36.6 | 164.5 | -81.6 | 178.1 | -83.5 | 99.6 | -0.8 | 110.7 | S86 C87 A92 G93 | S86-R90 VanDerWaalsContact O-CZ 3.23Å; S86-R90 PolarHBondContact O-N 3.43Å; S86-R90 PolarHBondContact O-NE 3.09Å; S86-R90 VanDerWaalsContact O-NE 3.12Å; S86-R90 PolarHBondContact O-NH2 2.83Å; C87-R90 VanDerWaalsContact CA-NH2 3.33Å; C87-R90 WeakPolarHBondContact O-CA 3.49Å; C87-R90 WeakPolarHBondContact O-CB 3.11Å; C87-R90 PolarHBondContact O-N 3.06Å; C87-R90 PolarHBondContact SG-NH2 3.28Å; R90-A92 PolarHBondContact O-N 3.32Å; R90-G93 PolarHBondContact O-N 3.15Å |
| 91 | D | 65.2 | Low | 80.8 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.4 | -19.7 | 173.9 | -47.8 | -34.1 | 0 | 0 | 0 | 111.3 | C87 L88 G93 V94 | C87-D91 VanDerWaalsContact C-OD2 3.29Å; C87-D91 PolarHBondContact O-N 3.37Å; C87-D91 VanDerWaalsContact O-OD2 3.07Å; L88-D91 WeakPolarHBondContact CA-OD2 3.36Å; L88-D91 PolarHBondContact O-N 3.15Å; D91-G93 PolarHBondContact O-N 2.8Å; D91-G93 VanDerWaalsContact O-N 3.16Å; D91-V94 VanDerWaalsContact O-CB 3.25Å; D91-V94 WeakPolarHBondContact O-CB 3.4Å; D91-V94 WeakPolarHBondContact O-CG2 3.35Å; D91-V94 PolarHBondContact O-N 2.75Å |
| 92 | A | 62.3 | Low | 80.7 | Confident | 40 Ų | 40 | 103.9 Ų | 103.9 | 33% | 0.331 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -13.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L88 R90 V94 I95 | L88-A92 PolarHBondContact O-N 3.06Å; R90-A92 PolarHBondContact O-N 3.32Å; A92-V94 PolarHBondContact O-N 3.16Å; A92-I95 HydrophobicContact CB-CD1 4.15Å; A92-I95 VanDerWaalsContact O-CB 3.31Å; A92-I95 WeakPolarHBondContact O-CB 3.4Å; A92-I95 PolarHBondContact O-N 3.26Å |
| 93 | G | 66.7 | Low | 80.6 | Confident | 27 Ų | 27 | 100.8 Ų | 100.8 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -31.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R90 D91 I95 S96 E97 | R90-G93 PolarHBondContact O-N 3.15Å; D91-G93 PolarHBondContact O-N 2.8Å; D91-G93 VanDerWaalsContact O-N 3.16Å; G93-I95 PolarHBondContact O-N 2.83Å; G93-S96 PolarHBondContact O-N 3.15Å; G93-S96 VanDerWaalsContact O-N 3.14Å; G93-S96 PolarHBondContact O-OG 3.28Å; G93-E97 WeakPolarHBondContact O-CG 3.21Å; G93-E97 PolarHBondContact O-N 2.82Å |
| 94 | V | 73.1 | Confident | 80.6 | Confident | 80 Ų | 80 | 97.4 Ų | 97.4 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -24.6 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | D91 A92 E97 L98 | D91-V94 VanDerWaalsContact O-CB 3.25Å; D91-V94 WeakPolarHBondContact O-CB 3.4Å; D91-V94 WeakPolarHBondContact O-CG2 3.35Å; D91-V94 PolarHBondContact O-N 2.75Å; A92-V94 PolarHBondContact O-N 3.16Å; V94-E97 PolarHBondContact O-N 3.14Å; V94-L98 WeakPolarHBondContact O-CB 3.48Å; V94-L98 PolarHBondContact O-N 3.46Å |
| 95 | I | 74.2 | Confident | 80.4 | Confident | 122 Ų | 122 | 96.1 Ų | 96.1 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.6 | -38.5 | 175.5 | -55.5 | 173.4 | 0 | 0 | 0 | 110.6 | A92 G93 L98 H99 | A92-I95 HydrophobicContact CB-CD1 4.15Å; A92-I95 VanDerWaalsContact O-CB 3.31Å; A92-I95 WeakPolarHBondContact O-CB 3.4Å; A92-I95 PolarHBondContact O-N 3.26Å; G93-I95 PolarHBondContact O-N 2.83Å; I95-L98 PolarHBondContact O-N 3.46Å; I95-H99 WeakPolarHBondContact O-CB 3.27Å; I95-H99 PolarHBondContact O-N 2.81Å |
| 96 | S | 80.1 | Confident | 80.1 | Confident | 75 Ų | 75 | 95 Ų | 95 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 170.4 | 31.1 | 0 | 0 | 0 | 0 | 112.2 | G93 L98 H99 E100 | G93-S96 PolarHBondContact O-N 3.15Å; G93-S96 VanDerWaalsContact O-N 3.14Å; G93-S96 PolarHBondContact O-OG 3.28Å; S96-L98 VanDerWaalsContact C-N 3.33Å; S96-L98 PolarHBondContact O-N 2.8Å; S96-H99 PolarHBondContact O-N 3.47Å; S96-E100 WeakPolarHBondContact O-CB 3.27Å; S96-E100 PolarHBondContact O-N 2.74Å |
| 97 | E | 84.6 | Confident | 80.1 | Confident | 115 Ų | 115 | 98.3 Ų | 98.3 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 174.3 | -67 | 166.7 | -177.2 | 0 | 0 | 111.6 | G93 V94 E100 L101 | G93-E97 WeakPolarHBondContact O-CG 3.21Å; G93-E97 PolarHBondContact O-N 2.82Å; V94-E97 PolarHBondContact O-N 3.14Å; E97-E100 PolarHBondContact O-N 3.35Å; E97-L101 WeakPolarHBondContact O-CB 3.46Å; E97-L101 VanDerWaalsContact O-CG 3.31Å; E97-L101 WeakPolarHBondContact O-CG 3.27Å; E97-L101 PolarHBondContact O-N 2.79Å |
| 98 | L | 84.6 | Confident | 80.1 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -37.7 | 175 | -139.3 | 78.2 | 0 | 0 | 0 | 112.5 | V94 I95 S96 L101 D102 | V94-L98 WeakPolarHBondContact O-CB 3.48Å; V94-L98 PolarHBondContact O-N 3.46Å; I95-L98 PolarHBondContact O-N 3.46Å; S96-L98 VanDerWaalsContact C-N 3.33Å; S96-L98 PolarHBondContact O-N 2.8Å; L98-L101 PolarHBondContact O-N 2.78Å; L98-D102 PolarHBondContact O-N 3.33Å |
| 99 | H | 84.9 | Confident | 79.7 | Confident | 130 Ų | 130 | 104.8 Ų | 104.8 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.3 | -36.1 | 176.6 | -173.9 | -54 | 0 | 0 | 0 | 111.8 | I95 S96 D102 Q103 | I95-H99 WeakPolarHBondContact O-CB 3.27Å; I95-H99 PolarHBondContact O-N 2.81Å; S96-H99 PolarHBondContact O-N 3.47Å; H99-D102 PolarHBondContact O-N 3.01Å; H99-Q103 WeakPolarHBondContact O-CB 3.37Å; H99-Q103 PolarHBondContact O-N 2.77Å |
| 100 | E | 90.4 | Very high | 78.7 | Confident | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 173.1 | -169.5 | 173.7 | 171 | 0 | 0 | 110.9 | S96 E97 Q103 Q104 | S96-E100 WeakPolarHBondContact O-CB 3.27Å; S96-E100 PolarHBondContact O-N 2.74Å; E97-E100 PolarHBondContact O-N 3.35Å; E100-Q103 PolarHBondContact O-N 3.03Å; E100-Q104 VanDerWaalsContact O-CG 3.29Å; E100-Q104 WeakPolarHBondContact O-CG 3.33Å; E100-Q104 PolarHBondContact O-N 2.79Å |
| 101 | L | 89.9 | Confident | 77.7 | Confident | 92 Ų | 92 | 104.6 Ų | 104.6 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 172.2 | -75.8 | 168.1 | 0 | 0 | 0 | 113.1 | E97 L98 Q104 I105 | E97-L101 WeakPolarHBondContact O-CB 3.46Å; E97-L101 VanDerWaalsContact O-CG 3.31Å; E97-L101 WeakPolarHBondContact O-CG 3.27Å; E97-L101 PolarHBondContact O-N 2.79Å; L98-L101 PolarHBondContact O-N 2.78Å; L101-Q104 PolarHBondContact O-N 2.8Å; L101-I105 WeakPolarHBondContact O-CB 3.26Å; L101-I105 VanDerWaalsContact O-CG1 3.25Å; L101-I105 WeakPolarHBondContact O-CG1 3.38Å; L101-I105 PolarHBondContact O-N 3Å |
| 102 | D | 88.9 | Confident | 77.2 | Confident | 85 Ų | 85 | 105.9 Ų | 105.9 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.6 | -169.5 | 76.2 | 0 | 0 | 0 | 111.3 | L98 H99 Q104 I105 N106 | L98-D102 PolarHBondContact O-N 3.33Å; H99-D102 PolarHBondContact O-N 3.01Å; D102-Q104 PolarHBondContact O-N 3.27Å; D102-I105 PolarHBondContact O-N 3.31Å; D102-N106 VanDerWaalsContact O-CG 3.26Å; D102-N106 PolarHBondContact O-N 3.42Å; D102-N106 PolarHBondContact O-ND2 2.97Å; D102-N106 PolarHBondContact OD2-ND2 2.86Å |
| 103 | Q | 89 | Confident | 76.4 | Confident | 103 Ų | 103 | 112.8 Ų | 112.8 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.1 | -46.9 | 172 | -176.6 | 177.4 | -25.9 | 0 | 0 | 111.4 | H99 E100 I105 N106 E107 | H99-Q103 WeakPolarHBondContact O-CB 3.37Å; H99-Q103 PolarHBondContact O-N 2.77Å; E100-Q103 PolarHBondContact O-N 3.03Å; Q103-I105 VanDerWaalsContact C-N 3.31Å; Q103-I105 PolarHBondContact O-N 2.88Å; Q103-N106 CarbonylContact O-C 3.5Å; Q103-N106 PolarHBondContact O-N 3.25Å; Q103-N106 VanDerWaalsContact O-N 3.11Å; Q103-E107 HydrophobicContact CG-CG 4.49Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.47Å; Q103-E107 PolarHBondContact NE2-OE1 3.18Å; Q103-E107 WeakPolarHBondContact O-CG 3.4Å; Q103-E107 PolarHBondContact O-N 3.23Å |
| 104 | Q | 91.3 | Very high | 75.6 | Confident | 83 Ų | 83 | 119.7 Ų | 119.7 | 39% | 0.388 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.9 | -36.5 | 175.6 | -72.8 | 172 | 17.5 | 0 | 0 | 112.5 | E100 L101 D102 N106 E107 L108 | E100-Q104 VanDerWaalsContact O-CG 3.29Å; E100-Q104 WeakPolarHBondContact O-CG 3.33Å; E100-Q104 PolarHBondContact O-N 2.79Å; L101-Q104 PolarHBondContact O-N 2.8Å; D102-Q104 PolarHBondContact O-N 3.27Å; Q104-N106 VanDerWaalsContact C-N 3.33Å; Q104-E107 PolarHBondContact O-N 3.31Å; Q104-L108 VanDerWaalsContact O-CB 3.3Å; Q104-L108 WeakPolarHBondContact O-CB 3.41Å; Q104-L108 WeakPolarHBondContact O-CD1 3.36Å; Q104-L108 WeakPolarHBondContact O-CG 3.22Å; Q104-L108 PolarHBondContact O-N 2.96Å |
| 105 | I | 87.1 | Confident | 74.6 | Confident | 80 Ų | 80 | 119.5 Ų | 119.5 | 41% | 0.41 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.5 | -37.4 | 174.1 | -72.4 | 163.4 | 0 | 0 | 0 | 111 | L101 D102 Q103 R109 | L101-I105 WeakPolarHBondContact O-CB 3.26Å; L101-I105 VanDerWaalsContact O-CG1 3.25Å; L101-I105 WeakPolarHBondContact O-CG1 3.38Å; L101-I105 PolarHBondContact O-N 3Å; D102-I105 PolarHBondContact O-N 3.31Å; Q103-I105 VanDerWaalsContact C-N 3.31Å; Q103-I105 PolarHBondContact O-N 2.88Å; I105-R109 VanDerWaalsContact O-CG 3.27Å; I105-R109 WeakPolarHBondContact O-CG 3.38Å; I105-R109 PolarHBondContact O-N 2.93Å |
| 106 | N | 82.6 | Confident | 73.2 | Confident | 73 Ų | 73 | 121.8 Ų | 121.8 | 39% | 0.39 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -74.9 | -32.4 | 177 | -64.5 | -38.6 | 0 | 0 | 0 | 112.5 | D102 Q103 Q104 R109 | D102-N106 VanDerWaalsContact O-CG 3.26Å; D102-N106 PolarHBondContact O-N 3.42Å; D102-N106 PolarHBondContact O-ND2 2.97Å; D102-N106 PolarHBondContact OD2-ND2 2.86Å; Q103-N106 CarbonylContact O-C 3.5Å; Q103-N106 PolarHBondContact O-N 3.25Å; Q103-N106 VanDerWaalsContact O-N 3.11Å; Q104-N106 VanDerWaalsContact C-N 3.33Å; N106-R109 PolarHBondContact O-N 2.93Å; N106-R109 PolarHBondContact OD1-NH1 2.78Å |
| 107 | E | 83.1 | Confident | 71.3 | Confident | 127 Ų | 127 | 124.9 Ų | 124.9 | 59% | 0.593 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.7 | -31.1 | 170.9 | -71.2 | 173.3 | -166.7 | 0 | 0 | 112.5 | Q103 Q104 | Q103-E107 HydrophobicContact CG-CG 4.49Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.47Å; Q103-E107 PolarHBondContact NE2-OE1 3.18Å; Q103-E107 WeakPolarHBondContact O-CG 3.4Å; Q103-E107 PolarHBondContact O-N 3.23Å; Q104-E107 PolarHBondContact O-N 3.31Å |
| 108 | L | 81.2 | Confident | 69.8 | Low | 139 Ų | 139 | 128 Ų | 128 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -80.4 | -15.8 | 173.9 | -71.8 | 168.8 | 0 | 0 | 0 | 113.5 | Q104 L110 | Q104-L108 VanDerWaalsContact O-CB 3.3Å; Q104-L108 WeakPolarHBondContact O-CB 3.41Å; Q104-L108 WeakPolarHBondContact O-CD1 3.36Å; Q104-L108 WeakPolarHBondContact O-CG 3.22Å; Q104-L108 PolarHBondContact O-N 2.96Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 3Å |
| 109 | R | 68.4 | Low | 68.1 | Low | 158 Ų | 158 | 129.8 Ų | 129.8 | 60% | 0.596 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -77.2 | 85 | 167.9 | -79.2 | 166.3 | 175.1 | 153.5 | 0.4 | 108.8 | I105 N106 E111 | I105-R109 VanDerWaalsContact O-CG 3.27Å; I105-R109 WeakPolarHBondContact O-CG 3.38Å; I105-R109 PolarHBondContact O-N 2.93Å; N106-R109 PolarHBondContact O-N 2.93Å; N106-R109 PolarHBondContact OD1-NH1 2.78Å; R109-E111 VanDerWaalsContact C-N 3.34Å; R109-E111 PolarHBondContact O-N 3.01Å |
| 110 | L | 54.6 | Low | 66.4 | Low | 164 Ų | 164 | 132.8 Ų | 132.8 | 86% | 0.859 | 67% | 0.667 | S | S | * | * | | | trans | -58.6 | 91.6 | 173.2 | -65.9 | 171.9 | 0 | 0 | 0 | 110.9 | L108 | L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 3Å |
| 111 | E | 48.5 | Very low | 64.2 | Low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 131.7 | 165 | -163.7 | 162.8 | -159.7 | 0 | 0 | 108.1 | R109 E113 | R109-E111 VanDerWaalsContact C-N 3.34Å; R109-E111 PolarHBondContact O-N 3.01Å; E111-E113 PolarHBondContact O-N 2.99Å |
| 112 | P | 54.8 | Low | 62.1 | Low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 120.3 | -165.4 | 26.2 | -34.2 | 0 | 0 | 0 | 112 | L114 | P112-L114 PolarHBondContact O-N 3.29Š|
| 113 | E | 47.3 | Very low | 60.2 | Low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.4 | 175.6 | -67.3 | -174.3 | 118.8 | 0 | 0 | 111.6 | E111 | E111-E113 PolarHBondContact O-N 2.99Š|
| 114 | L | 48.1 | Very low | 58.6 | Low | 171 Ų | 171 | 143.6 Ų | 143.6 | 90% | 0.895 | 73% | 0.729 | S | S | * | * | | | trans | -122 | 75.9 | 164.2 | -102.3 | 169.9 | 0 | 0 | 0 | 109.2 | P112 | P112-L114 PolarHBondContact O-N 3.29Š|
| 115 | A | 52.8 | Low | 56.5 | Low | 77 Ų | 77 | 145.4 Ų | 145.4 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | -131 | 62 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 116 | H | 45.7 | Very low | 54.6 | Low | 169 Ų | 169 | 147.1 Ų | 147.1 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | | | trans | -161.3 | 152 | 153.1 | -97.3 | 63.8 | 0 | 0 | 0 | 105.3 | | |
| 117 | D | 39.4 | Very low | 53 | Low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | | | cis | -143.1 | 163.8 | 16 | -144.6 | -28.6 | 0 | 0 | 0 | 112.2 | | |
| 118 | Q | 53 | Low | 51 | Low | 181 Ų | 181 | 146.5 Ų | 146.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -112.3 | 94 | 177.8 | -176.9 | -167.8 | -25.5 | 0 | 0 | 110.7 | | |
| 119 | L | 49.9 | Very low | 49.3 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -147.7 | 124.7 | 168.5 | -148 | 79.3 | 0 | 0 | 0 | 113.3 | | |
| 120 | E | 48.6 | Very low | 48.2 | Very low | 193 Ų | 193 | 150.4 Ų | 150.4 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -83.5 | 118.9 | 161.2 | -66.5 | 177.4 | 109.7 | 0 | 0 | 109.1 | | |
| 121 | T | 43.2 | Very low | 48 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -156.7 | 133.9 | 139.8 | -12.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 122 | D | 46.7 | Very low | 47.8 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | | | trans | -48.2 | 135.6 | 168.9 | 173.5 | 30.8 | 0 | 0 | 0 | 115.4 | | |
| 123 | S | 49.2 | Very low | 47.5 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -174.4 | 116.3 | 138.5 | -81.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 124 | R | 54.4 | Low | 47.5 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | | | trans | -101.8 | 140.5 | 160.4 | -74.7 | -177.4 | 171.8 | -169.8 | -2.1 | 109.9 | | |
| 125 | P | 48.6 | Very low | 47.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | | -122.2 | 159.3 | 96.5 | -0.2 | 22 | 0 | 0 | 0 | 111.4 | | |
| 126 | S | 45.8 | Very low | 47.1 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | cis | 77.5 | 141.8 | 45.7 | -156.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 127 | S | 49.6 | Very low | 46.7 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | 71.4 | 118.2 | -170.5 | -160.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 128 | G | 42 | Very low | 46.4 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | cis | 123.5 | 98 | -15.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 129 | F | 43.8 | Very low | 45.9 | Very low | 204 Ų | 204 | 133.5 Ų | 133.5 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -160.5 | 130.1 | 149.2 | -127.3 | -99 | 0 | 0 | 0 | 105.9 | | |
| 130 | Y | 46.5 | Very low | 45.5 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | cis | 100.1 | 84.6 | 28.3 | -143.8 | -77.6 | 0 | 0 | 0 | 114.1 | L132 | Y130-L132 HydrophobicContact CD1-CD1 4.27Å; Y130-L132 HydrophobicContact CD1-CG 4.31Å; Y130-L132 HydrophobicContact CE1-CD1 3.41Å; Y130-L132 VanDerWaalsContact CE1-CD1 3.41Å; Y130-L132 HydrophobicContact CE1-CG 3.86Å |
| 131 | E | 50.4 | Low | 44.9 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -172.8 | 106 | 143.2 | -102.4 | 171 | 163.7 | 0 | 0 | 104.6 | | |
| 132 | L | 43.7 | Very low | 44.7 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | | | | 59.1 | 127.6 | 60.7 | -66.1 | -165.8 | 0 | 0 | 0 | 114.8 | Y130 | Y130-L132 HydrophobicContact CD1-CD1 4.27Å; Y130-L132 HydrophobicContact CD1-CG 4.31Å; Y130-L132 HydrophobicContact CE1-CD1 3.41Å; Y130-L132 VanDerWaalsContact CE1-CD1 3.41Å; Y130-L132 HydrophobicContact CE1-CG 3.86Å |
| 133 | S | 48.2 | Very low | 44.5 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | 64.2 | 138 | 152.4 | -80.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 134 | D | 47.8 | Very low | 44.5 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | cis | -135.2 | 157.7 | -2.6 | -83.4 | -42.2 | 0 | 0 | 0 | 109.7 | | |
| 135 | G | 50.6 | Low | 43.6 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | | 71 | 68.3 | 91 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 136 | A | 41.9 | Very low | 43.5 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | | 67.6 | 120.1 | 77.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 137 | S | 36.5 | Very low | 43.4 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 92% | 0.923 | 76% | 0.759 | S | S | * | * | | | trans | 63.2 | 172.7 | 174.6 | -62.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 138 | G | 34.8 | Very low | 42.9 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | 107.7 | 74 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 139 | S | 42.7 | Very low | 42.8 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | -36.8 | 142.6 | 146.3 | -45.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 140 | L | 39.7 | Very low | 42.4 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | | | | -177 | 119.1 | 115.9 | -88.9 | 161.8 | 0 | 0 | 0 | 106.4 | | |
| 141 | S | 36.4 | Very low | 42 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | | 50.4 | 94.1 | 89.2 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 142 | N | 40.5 | Very low | 41.3 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | | | trans | -149.8 | 144.6 | 151.1 | -110.7 | -3.8 | 0 | 0 | 0 | 104.7 | | |
| 143 | S | 42.1 | Very low | 40.8 | Very low | 86 Ų | 86 | 121.9 Ų | 121.9 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | | | cis | 150 | 153.4 | 2.1 | 50.2 | 0 | 0 | 0 | 0 | 104.7 | | |
| 144 | S | 49.3 | Very low | 40.1 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | cis | -167.3 | 128.6 | -15.1 | -94.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 145 | H | 34.1 | Very low | 39.6 | Very low | 181 Ų | 181 | 121.7 Ų | 121.7 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -160.1 | 115 | 146.1 | -111.6 | 55.2 | 0 | 0 | 0 | 106.9 | | |
| 146 | S | 46.3 | Very low | 39.1 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | | 83.1 | 120.8 | 84 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 147 | V | 44 | Very low | 38.7 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | cis | -153.2 | 138.4 | 12.1 | -177.4 | 0 | 0 | 0 | 0 | 111 | | |
| 148 | F | 38.9 | Very low | 39 | Very low | 197 Ų | 197 | 122.9 Ų | 122.9 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | | | trans | 58.7 | 133.3 | 164.3 | -80.9 | -138.5 | 0 | 0 | 0 | 118.2 | | |
| 149 | S | 40.6 | Very low | 39 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 56% | 0.559 | 75% | 0.748 | S | S | * | * | | | cis | -151.3 | -135.4 | -5.1 | -67.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 150 | E | 35.8 | Very low | 38.6 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | cis | -158.4 | -129.7 | 4.2 | -154.6 | 67.5 | 88.6 | 0 | 0 | 112.3 | | |
| 151 | C | 38.2 | Very low | 38.4 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 63% | 0.628 | 74% | 0.742 | S | S | * | * | | | trans | -127.6 | 160.6 | -159.9 | -66.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 152 | F | 35.1 | Very low | 38.3 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 82% | 0.82 | 75% | 0.746 | S | S | * | * | | | cis | -166.8 | 154.4 | -17.7 | -112.9 | -53.6 | 0 | 0 | 0 | 111.2 | | |
| 153 | C | 33.6 | Very low | 37.8 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | | | trans | 63.2 | 134.1 | 163.1 | -58.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 154 | S | 33.9 | Very low | 37.4 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | cis | 85.8 | 144.9 | 33 | -49.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 155 | T | 37 | Very low | 36.5 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | cis | -159 | 167.6 | 29.7 | 47.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 156 | A | 38.9 | Very low | 36.4 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | | | trans | 72.4 | 134.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 157 | D | 34.8 | Very low | 36 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | cis | 96.4 | 146.2 | 38.3 | -65.8 | -36.5 | 0 | 0 | 0 | 112.7 | | |
| 158 | A | 42.7 | Very low | 35.7 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | | | cis | -168.9 | 175.3 | -18.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 159 | E | 34 | Very low | 35.3 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | | | trans | 64.8 | 164.5 | 162.6 | -56.9 | -149.4 | -137.4 | 0 | 0 | 119.5 | | |
| 160 | G | 34.8 | Very low | 34.7 | Very low | 63 Ų | 63 | 135.3 Ų | 135.3 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | cis | 169.7 | 149.4 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 161 | Y | 35 | Very low | 34.5 | Very low | 214 Ų | 214 | 132.2 Ų | 132.2 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | trans | 75.1 | 168.3 | 161.7 | -76.3 | -87.1 | 0 | 0 | 0 | 123 | | |
| 162 | F | 33.9 | Very low | 34.5 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | -107.9 | 160.9 | -161 | -63.2 | -113.2 | 0 | 0 | 0 | 113.4 | | |
| 163 | L | 31.8 | Very low | 34.3 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | | | | -174.1 | 177.4 | 119.7 | -103 | 168.2 | 0 | 0 | 0 | 113.4 | | |
| 164 | S | 31.8 | Very low | 34.3 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -132.8 | 138 | -175.5 | 162.2 | 0 | 0 | 0 | 0 | 111 | | |
| 165 | S | 31 | Very low | 34.2 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | trans | -175.4 | 162.1 | 138.7 | -123.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 166 | E | 31.5 | Very low | 34.1 | Very low | 149 Ų | 149 | 137 Ų | 137 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | | | trans | 36.1 | 122.8 | 144.2 | -92.4 | 49.3 | -135.6 | 0 | 0 | 122 | | |
| 167 | E | 38.1 | Very low | 34.1 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | | 40.9 | 100.9 | 112.3 | -167.8 | 174.6 | -120.8 | 0 | 0 | 117.9 | | |
| 168 | L | 37.9 | Very low | 34 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | | | trans | -145.9 | 139.7 | 133 | -118.4 | 168.9 | 0 | 0 | 0 | 110.2 | | |
| 169 | A | 31.1 | Very low | 33.4 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | trans | -114.5 | 168 | -171 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 170 | S | 28.4 | Very low | 33.2 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | 79.2 | 159.4 | 154.4 | -161.6 | 0 | 0 | 0 | 0 | 118.1 | | |
| 171 | C | 31.4 | Very low | 33 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | | | trans | 76.7 | 129.5 | 166.9 | -55.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 172 | L | 38.5 | Very low | 33.1 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | cis | -152.7 | 161.2 | -9.8 | -117.7 | 175.3 | 0 | 0 | 0 | 110.5 | | |
| 173 | E | 30.7 | Very low | 32.9 | Very low | 136 Ų | 136 | 139 Ų | 139 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | trans | -101 | 171.1 | 172.8 | -166.8 | -176.2 | 155.9 | 0 | 0 | 109 | | |
| 174 | Y | 33.5 | Very low | 33 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | | | trans | 75.5 | 142.7 | 175.6 | -58.7 | -83.7 | 0 | 0 | 0 | 116.6 | | |
| 175 | D | 30.9 | Very low | 33.2 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | cis | -146.5 | 168.5 | -5.5 | -144.3 | -14.2 | 0 | 0 | 0 | 114.2 | | |
| 176 | V | 35.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 139 Ų | 139 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | | | trans | -67.5 | 142.4 | 169.1 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 177 | L | 38.9 | Very low | 33.2 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | | 176.6 | 145.4 | 122.8 | -95 | 171.5 | 0 | 0 | 0 | 115.9 | | |
| 178 | V | 33.5 | Very low | 32.9 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | 60.9 | 100.6 | 157.7 | -176 | 0 | 0 | 0 | 0 | 118.8 | | |
| 179 | G | 30 | Very low | 32.4 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | | 104.1 | 121 | 103.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 180 | G | 28.9 | Very low | 32.5 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 145.2 | 115.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 181 | F | 31.6 | Very low | 32.7 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -77.6 | 144.8 | 156.4 | -72.6 | -106.6 | 0 | 0 | 0 | 108.3 | | |
| 182 | Y | 35.3 | Very low | 32.8 | Very low | 224 Ų | 224 | 139.9 Ų | 139.9 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | | -171.5 | 173.9 | 129.7 | -99.9 | -61.6 | 0 | 0 | 0 | 110.1 | | |
| 183 | D | 30.5 | Very low | 32.6 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -98.2 | 154.2 | -152.7 | -49.1 | -75.4 | 0 | 0 | 0 | 116.6 | | |
| 184 | D | 34 | Very low | 32.7 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 65.6 | 175.7 | 143.5 | -154.3 | 13.4 | 0 | 0 | 0 | 119.4 | | |
| 185 | L | 36.4 | Very low | 32.6 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | 71 | 134.5 | -170.9 | -54.7 | 122.3 | 0 | 0 | 0 | 114.6 | | |
| 186 | G | 28.3 | Very low | 32.6 | Very low | 68 Ų | 68 | 137.1 Ų | 137.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | cis | 142 | 155.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 187 | S | 34.5 | Very low | 32.3 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | 77.2 | 132.3 | 166.8 | -156.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 188 | S | 30.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 44.9 | 134.8 | 140.1 | -155.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 189 | G | 28.1 | Very low | 32 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | cis | 161.4 | -149.9 | 4.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 190 | V | 33.7 | Very low | 31.9 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | 75.7 | 97.4 | 176.3 | -168.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 191 | V | 31.9 | Very low | 31.6 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -90 | 143.1 | 164.3 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 192 | R | 33.4 | Very low | 31.3 | Very low | 232 Ų | 232 | 139.4 Ų | 139.4 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | | | trans | -170.8 | 155.1 | 141 | -66.3 | -150.2 | 177.6 | 176.2 | 1 | 109.3 | | |
| 193 | R | 34.4 | Very low | 31.2 | Very low | 208 Ų | 208 | 136 Ų | 136 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | cis | -164.9 | 173 | -29.9 | -114.2 | -175.1 | -178.5 | -175.5 | 0.1 | 105.5 | | |
| 194 | S | 32 | Very low | 30.9 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 62% | 0.622 | 80% | 0.803 | S | S | * | * | | | cis | -143.4 | 174.4 | 11.1 | -106.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 195 | L | 32.1 | Very low | 30.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | | 66.1 | 136 | 53.7 | -44 | 179.8 | 0 | 0 | 0 | 114.2 | | |
| 196 | S | 29.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | cis | -157 | 170.7 | 29.6 | 57.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 197 | A | 29.8 | Very low | 30.2 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -129.4 | 169.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 198 | P | 39.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | | -159.7 | 158.6 | 112.8 | 38.7 | -19.3 | 0 | 0 | 0 | 120 | | |
| 199 | H | 26.8 | Very low | 30.1 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 89% | 0.889 | 79% | 0.792 | S | S | * | * | | | trans | 84.6 | 165.7 | 136.9 | -78.9 | 21 | 0 | 0 | 0 | 123.2 | | |
| 200 | Q | 28 | Very low | 30.6 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | -134.1 | 167.5 | -155.8 | -62 | 177.5 | -52.6 | 0 | 0 | 113.4 | | |
| 201 | A | 23.5 | Very low | 30.5 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -143.4 | 161.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 202 | S | 24.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -162.9 | 171.8 | 179.6 | -165.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 203 | L | 33 | Very low | 30.2 | Very low | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | 66.1 | 158.2 | -178.8 | -53.9 | 177 | 0 | 0 | 0 | 114.2 | | |
| 204 | E | 25 | Very low | 30.8 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | cis | -142.4 | -172.2 | 0.5 | -146.2 | 175.4 | 179.2 | 0 | 0 | 110.6 | | |
| 205 | A | 28.2 | Very low | 30.8 | Very low | 84 Ų | 84 | 131.2 Ų | 131.2 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | | | trans | -107.9 | 164.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 206 | T | 28.7 | Very low | 31 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | trans | 166.1 | 126.2 | 132.3 | -76 | 0 | 0 | 0 | 0 | 114.6 | | |
| 207 | S | 27.1 | Very low | 31.2 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | | | trans | 46.1 | 119.8 | 148.7 | -159.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 208 | L | 32.6 | Very low | 31.2 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | | -168.7 | 172.4 | 101.4 | -103.3 | 171.7 | 0 | 0 | 0 | 114.4 | | |
| 209 | A | 30.2 | Very low | 30.8 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | trans | -80.2 | 170.3 | -159.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 210 | P | 38.2 | Very low | 30.8 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | | | trans | -98.1 | 168.5 | -172.6 | 39.3 | -35.3 | 0 | 0 | 0 | 114.8 | | |
| 211 | T | 33.1 | Very low | 31 | Very low | 142 Ų | 142 | 135 Ų | 135 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | | | trans | -140.4 | 134.4 | 165.6 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 212 | D | 25.7 | Very low | 31.6 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | -74.9 | 170.7 | 175.8 | -76.8 | -70.2 | 0 | 0 | 0 | 114.9 | | |
| 213 | S | 32.4 | Very low | 32.7 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | 120.6 | 153.8 | 134.4 | 78.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 214 | P | 46.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | | | trans | -132 | 143.7 | -157.9 | 38.5 | -19.7 | 0 | 0 | 0 | 117.5 | | |
| 215 | S | 32.5 | Very low | 32.9 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -148.8 | 127 | 161.5 | 53 | 0 | 0 | 0 | 0 | 109.6 | | |
| 216 | K | 35.8 | Very low | 33.1 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | | | | 57 | 85.5 | 57 | -70.4 | -171.9 | 176.9 | 176.3 | 0 | 114.6 | | |
| 217 | T | 34.1 | Very low | 33.4 | Very low | 144 Ų | 144 | 142 Ų | 142 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -148.4 | 138.2 | 146.8 | 16.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 218 | L | 30.8 | Very low | 33.8 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -89.5 | 149.5 | 168.4 | -70.8 | 153 | 0 | 0 | 0 | 108.9 | | |
| 219 | C | 30.7 | Very low | 34.1 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -147.1 | 129.3 | 149.8 | -165.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 220 | S | 26.1 | Very low | 34.5 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | | | trans | -138 | 112.2 | -178.7 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 221 | F | 32.1 | Very low | 34.4 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -133.9 | 124.1 | 170.7 | -82.4 | -78.6 | 0 | 0 | 0 | 110.6 | | |
| 222 | F | 36.1 | Very low | 34.2 | Very low | 204 Ų | 204 | 154.1 Ų | 154.1 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | | | trans | -132.2 | 149.2 | 165.5 | -86.5 | -73.8 | 0 | 0 | 0 | 107.4 | | |
| 223 | P | 47 | Very low | 34.6 | Very low | 119 Ų | 119 | 157.4 Ų | 157.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -136.8 | 121.9 | 131.9 | 32.4 | -18.4 | 0 | 0 | 0 | 114 | | |
| 224 | R | 31.9 | Very low | 34.7 | Very low | 224 Ų | 224 | 156.9 Ų | 156.9 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | | | trans | 31.5 | 124.5 | 135.1 | -41.4 | -179.4 | -166.9 | -168.6 | 3.1 | 117.1 | | |
| 225 | N | 32 | Very low | 34.1 | Very low | 142 Ų | 142 | 156.5 Ų | 156.5 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | | | | -151 | 128.3 | 66.3 | -82.4 | -37.8 | 0 | 0 | 0 | 110.8 | | |
| 226 | V | 32.5 | Very low | 34.1 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | | | | 67.1 | 122.5 | 90 | 171.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 227 | S | 34.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 155.5 Ų | 155.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | cis | -172.5 | 171.4 | -10.5 | 59.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 228 | D | 35.3 | Very low | 34.2 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | cis | -147.4 | -111.5 | 6.9 | -176.2 | -103 | 0 | 0 | 0 | 109.3 | | |
| 229 | I | 38.8 | Very low | 34.5 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 69.5 | 80 | 178.2 | -49.6 | -170.9 | 0 | 0 | 0 | 114.9 | | |
| 230 | Y | 39 | Very low | 34.5 | Very low | 215 Ų | 215 | 150.9 Ų | 150.9 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | 77.6 | 111.8 | 152.9 | -80.6 | -100 | 0 | 0 | 0 | 119.4 | | |
| 231 | N | 34.3 | Very low | 34.7 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | | | trans | -80.1 | 123.1 | 170.6 | -75 | -100.9 | 0 | 0 | 0 | 111.4 | | |
| 232 | Y | 29.5 | Very low | 34.9 | Very low | 233 Ų | 233 | 151.8 Ų | 151.8 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | | | trans | -79.8 | 124.6 | 162.5 | -143.1 | -91.5 | 0 | 0 | 0 | 109 | | |
| 233 | R | 34.7 | Very low | 34.8 | Very low | 228 Ų | 228 | 145.6 Ų | 145.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -107.4 | 97.3 | -174.4 | -169.2 | 179.5 | -173.9 | 114 | 0.6 | 112.1 | | |
| 234 | S | 34.3 | Very low | 34.1 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -61.3 | 142.2 | 168 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 235 | P | 33.9 | Very low | 34.1 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | | -126.5 | 132.4 | 123 | 2.5 | 18.5 | 0 | 0 | 0 | 111.5 | | |
| 236 | S | 32.5 | Very low | 34 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | -78.2 | 137.7 | 167.4 | 43.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 237 | H | 37 | Very low | 33.9 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | | | trans | -166.1 | 94.2 | 148.4 | -87.6 | -50.4 | 0 | 0 | 0 | 109.9 | | |
| 238 | A | 34.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -144.8 | 119.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 239 | T | 38 | Very low | 33.5 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -142.9 | 123 | -176.5 | 45.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 240 | A | 30.1 | Very low | 33 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | 65 | 150.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 241 | V | 31.8 | Very low | 32.4 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | cis | -114.5 | 159.2 | 11.5 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 242 | Q | 36.3 | Very low | 32 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -60.5 | 150.3 | -178.7 | -62.9 | 142.7 | -63.5 | 0 | 0 | 113.9 | | |
| 243 | G | 33.4 | Very low | 31.8 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | -130.6 | 98.5 | 161 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 244 | S | 32.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -123.7 | 126 | 166.8 | -53.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 245 | V | 32.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | | | cis | 76.8 | 92.8 | 33.4 | -170.4 | 0 | 0 | 0 | 0 | 113.7 | L247 | V245-L247 HydrophobicContact CG1-CD1 4.43Š|
| 246 | L | 30 | Very low | 30.7 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | trans | -163.8 | 137.5 | 134.3 | -113.7 | 123.7 | 0 | 0 | 0 | 106.1 | | |
| 247 | L | 29.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 67% | 0.665 | 79% | 0.791 | S | S | * | * | | | cis | 97.6 | 140.1 | 27.7 | -82.1 | 168.1 | 0 | 0 | 0 | 115.4 | V245 | V245-L247 HydrophobicContact CG1-CD1 4.43Š|
| 248 | Q | 28.3 | Very low | 29.8 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | 69.1 | 138.7 | 161.9 | -70.3 | 142.4 | -32.8 | 0 | 0 | 118.5 | | |
| 249 | V | 32.5 | Very low | 29.6 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | cis | 98.4 | 146.5 | 18.5 | 178.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 250 | S | 29.4 | Very low | 29.3 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | 80.5 | 140.1 | -176 | -54.6 | 0 | 0 | 0 | 0 | 115 | | |
| 251 | G | 25.5 | Very low | 29.2 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | cis | -164.6 | -158.3 | -3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 252 | D | 26 | Very low | 29.1 | Very low | 167 Ų | 167 | 123.2 Ų | 123.2 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | | | cis | -168.7 | 157.4 | -7.1 | -173.9 | 23.1 | 0 | 0 | 0 | 109.8 | | |
| 253 | G | 26 | Very low | 28.8 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | 63.8 | 152 | 169.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 254 | G | 26.8 | Very low | 28.4 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | cis | -160.8 | 152.5 | -8.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 255 | Q | 28.7 | Very low | 28.5 | Very low | 198 Ų | 198 | 126.3 Ų | 126.3 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | | | | 65.1 | 124.6 | 75.1 | -162.2 | 163.3 | 92.6 | 0 | 0 | 111.9 | | |
| 256 | C | 23.6 | Very low | 28.3 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | cis | -162.7 | 162.3 | 8.5 | -142.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 257 | R | 26.6 | Very low | 28.2 | Very low | 207 Ų | 207 | 127.6 Ų | 127.6 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | trans | 62.3 | 174.2 | 157.1 | -71.1 | -168.6 | 170.6 | -75.1 | -3.6 | 115.5 | | |
| 258 | D | 25.3 | Very low | 27.9 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | | | cis | -164.3 | 158.9 | -26.5 | -96.7 | 0.9 | 0 | 0 | 0 | 105 | | |
| 259 | E | 29.8 | Very low | 27.9 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | cis | -164.8 | 176.2 | -13.7 | -114.9 | -79.5 | -133 | 0 | 0 | 108.3 | | |
| 260 | A | 30.5 | Very low | 27.6 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | 67.7 | 117.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 261 | G | 27.8 | Very low | 28.1 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 92% | 0.918 | 76% | 0.763 | S | S | * | * | | | | 108.4 | 133.5 | 127.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 262 | G | 31.1 | Very low | 28.1 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | | | trans | 140.8 | 82.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 263 | E | 28.8 | Very low | 28.4 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | -51.3 | 133.4 | 171.4 | -83.2 | -174.3 | 98.7 | 0 | 0 | 113.5 | | |
| 264 | C | 26.1 | Very low | 28.5 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | | | | 91.5 | -179 | 80.7 | -156.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 265 | L | 34.4 | Very low | 28.7 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | 67.8 | 107.3 | -167.2 | -51.2 | -174 | 0 | 0 | 0 | 111.9 | | |
| 266 | K | 27.1 | Very low | 28.6 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | cis | 53.1 | 126.4 | 31.6 | -64 | -178.3 | -179.1 | 174.4 | 0 | 111.7 | | |
| 267 | T | 27.7 | Very low | 29.1 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | cis | -159.8 | 149.4 | 18.1 | -8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 268 | E | 23.2 | Very low | 29.2 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | trans | 40.6 | 115.4 | 130.1 | -70.6 | -72.5 | 123.4 | 0 | 0 | 121.1 | | |
| 269 | T | 29.1 | Very low | 29.4 | Very low | 117 Ų | 117 | 123 Ų | 123 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | | | | 90.7 | 139.7 | 115.4 | -69.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 270 | S | 26.8 | Very low | 29.6 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | -83 | 163 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | V272 | S270-V272 PolarHBondContact OG-N 2.89Š|
| 271 | P | 39.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | | -141.2 | 118.9 | 120.5 | 30.6 | -14.3 | 0 | 0 | 0 | 116.7 | | |
| 272 | V | 26.1 | Very low | 30.1 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | | 53.8 | 111.2 | 112.7 | -179.2 | 0 | 0 | 0 | 0 | 120.2 | S270 | S270-V272 PolarHBondContact OG-N 2.89Š|
| 273 | L | 32 | Very low | 30.2 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | | | trans | 69.9 | 122.2 | 146.2 | -70.1 | 170.2 | 0 | 0 | 0 | 122.9 | | |
| 274 | G | 27 | Very low | 30.4 | Very low | 78 Ų | 78 | 129.4 Ų | 129.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -162.1 | 136.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 275 | S | 30.5 | Very low | 30.7 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -145.5 | 116.6 | -167.2 | 170.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 276 | V | 28.5 | Very low | 31.1 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | | | trans | -148.4 | 141.3 | 156.6 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 277 | S | 32.5 | Very low | 31.5 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -77.8 | 134.8 | 175.7 | -62 | 0 | 0 | 0 | 0 | 113.2 | | |
| 278 | G | 28.7 | Very low | 32.3 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -151.4 | 118.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 279 | S | 31.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -87.1 | 114.8 | -179.2 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 280 | L | 33.5 | Very low | 34.3 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | | | trans | -133.3 | 144.9 | 167.4 | -75.5 | 176.1 | 0 | 0 | 0 | 112.1 | | |
| 281 | R | 31.8 | Very low | 35.7 | Very low | 210 Ų | 210 | 127.4 Ų | 127.4 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 126.5 | -173.5 | 166.5 | -172.6 | 173.1 | -173.1 | 0 | 110.2 | Q283 | R281-Q283 PolarHBondContact O-N 2.59Š|
| 282 | P | 36.3 | Very low | 36.8 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -66 | 120.6 | 170.3 | -20.1 | 32.9 | 0 | 0 | 0 | 111.3 | | |
| 283 | Q | 33.8 | Very low | 39.1 | Very low | 161 Ų | 161 | 122 Ų | 122 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 148.9 | 147.1 | -75.7 | -80.6 | 39.7 | 0 | 0 | 107.6 | R281 | R281-Q283 PolarHBondContact O-N 2.59Š|
| 284 | G | 33.5 | Very low | 41.2 | Very low | 81 Ų | 81 | 120.5 Ų | 120.5 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 151.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 285 | S | 31.5 | Very low | 44.1 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | | | trans | -138.3 | 155.5 | 157.6 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 286 | T | 44 | Very low | 46.8 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | | | trans | -109.7 | 111.2 | -159.3 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | Q288 | T286-Q288 HydrophobicContact CG2-CG 4.07Š|
| 287 | F | 35.3 | Very low | 49.7 | Very low | 197 Ų | 197 | 122.4 Ų | 122.4 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | | | trans | -129.9 | 93 | 159.1 | -72.6 | -74.5 | 0 | 0 | 0 | 109.3 | T289 | F287-T289 PolarHBondContact O-N 3.05Š|
| 288 | Q | 43.5 | Very low | 52.4 | Low | 111 Ų | 111 | 122.6 Ų | 122.6 | 52% | 0.519 | 66% | 0.664 | S | S | . | * | | | trans | -83.1 | 96.9 | 177.8 | -73.3 | -177.9 | -9.5 | 0 | 0 | 110.4 | T286 | T286-Q288 HydrophobicContact CG2-CG 4.07Š|
| 289 | T | 42.3 | Very low | 55.4 | Low | 91 Ų | 91 | 123 Ų | 123 | 56% | 0.558 | 65% | 0.648 | S | S | * | * | | | trans | -63.9 | 135.7 | 162 | 51.5 | 0 | 0 | 0 | 0 | 109.1 | F287 S291 S292 | F287-T289 PolarHBondContact O-N 3.05Å; T289-S291 PolarHBondContact O-N 3.45Å; T289-S292 PolarHBondContact O-N 3.22Å |
| 290 | H | 52.5 | Low | 58 | Low | 164 Ų | 164 | 123.1 Ų | 123.1 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -17 | -170.2 | -72.6 | -115.5 | 0 | 0 | 0 | 113.4 | | |
| 291 | S | 56.7 | Low | 60.7 | Low | 85 Ų | 85 | 115.9 Ų | 115.9 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -29.5 | 171.6 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | T289 K293 H294 L295 | T289-S291 PolarHBondContact O-N 3.45Å; S291-K293 VanDerWaalsContact C-N 3.28Å; S291-K293 PolarHBondContact O-N 3.22Å; S291-H294 PolarHBondContact O-N 2.9Å; S291-H294 VanDerWaalsContact O-N 3.15Å; S291-L295 PolarHBondContact O-N 3.34Å; S291-L295 VanDerWaalsContact O-N 3.14Å |
| 292 | S | 61 | Low | 63.2 | Low | 27 Ų | 27 | 108.8 Ų | 108.8 | 19% | 0.189 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -60.6 | -39.5 | -175.9 | 98.2 | 0 | 0 | 0 | 0 | 111.4 | T289 H294 L295 E296 | T289-S292 PolarHBondContact O-N 3.22Å; S292-H294 VanDerWaalsContact C-N 3.3Å; S292-H294 PolarHBondContact O-N 3.38Å; S292-L295 CarbonylContact O-C 3.59Å; S292-L295 PolarHBondContact O-N 2.86Å; S292-L295 VanDerWaalsContact O-N 3.16Å; S292-E296 WeakPolarHBondContact O-CB 3.31Å; S292-E296 VanDerWaalsContact O-CG 3.29Å; S292-E296 WeakPolarHBondContact O-CG 3.46Å; S292-E296 PolarHBondContact O-N 3.47Å; S292-E296 PolarHBondContact OG-OE1 3.09Å |
| 293 | K | 74.8 | Confident | 65.5 | Low | 88 Ų | 88 | 108.2 Ų | 108.2 | 38% | 0.383 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -32 | -179.7 | -67.2 | 170.6 | -177.9 | 167.1 | 0 | 113.1 | S291 K297 | S291-K293 VanDerWaalsContact C-N 3.28Å; S291-K293 PolarHBondContact O-N 3.22Å; K293-K297 WeakPolarHBondContact O-CB 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.38Å; K293-K297 PolarHBondContact O-N 2.94Å; K293-K297 VanDerWaalsContact O-N 3.15Å |
| 294 | H | 76.8 | Confident | 67.4 | Low | 141 Ų | 141 | 106.7 Ų | 106.7 | 65% | 0.653 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75.2 | -43.8 | 173.8 | -174 | -105.1 | 0 | 0 | 0 | 110.8 | S291 S292 K297 Y298 | S291-H294 PolarHBondContact O-N 2.9Å; S291-H294 VanDerWaalsContact O-N 3.15Å; S292-H294 VanDerWaalsContact C-N 3.3Å; S292-H294 PolarHBondContact O-N 3.38Å; H294-K297 PolarHBondContact O-N 3.12Å; H294-Y298 VanDerWaalsContact O-CB 3.27Å; H294-Y298 WeakPolarHBondContact O-CB 3.44Å; H294-Y298 PolarHBondContact O-N 2.96Å |
| 295 | L | 88.4 | Confident | 69 | Low | 98 Ų | 98 | 111 Ų | 111 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.6 | -43.9 | 176.2 | -177.1 | 61.2 | 0 | 0 | 0 | 112 | S291 S292 Y298 I299 | S291-L295 PolarHBondContact O-N 3.34Å; S291-L295 VanDerWaalsContact O-N 3.14Å; S292-L295 CarbonylContact O-C 3.59Å; S292-L295 PolarHBondContact O-N 2.86Å; S292-L295 VanDerWaalsContact O-N 3.16Å; L295-Y298 PolarHBondContact O-N 3.42Å; L295-I299 HydrophobicContact CD1-CD1 3.91Å; L295-I299 HydrophobicContact CD1-CG1 4.24Å; L295-I299 HydrophobicContact CG-CD1 3.81Å; L295-I299 HydrophobicContact CG-CG1 4.49Å; L295-I299 WeakPolarHBondContact O-CB 3.49Å; L295-I299 VanDerWaalsContact O-CG1 3.25Å; L295-I299 WeakPolarHBondContact O-CG1 3.25Å; L295-I299 PolarHBondContact O-N 2.91Å |
| 296 | E | 86.3 | Confident | 70.2 | Confident | 116 Ų | 116 | 116 Ų | 116 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -46 | 175.1 | -74.9 | 163.5 | -146.3 | 0 | 0 | 111.6 | S292 Y298 I299 F300 | S292-E296 WeakPolarHBondContact O-CB 3.31Å; S292-E296 VanDerWaalsContact O-CG 3.29Å; S292-E296 WeakPolarHBondContact O-CG 3.46Å; S292-E296 PolarHBondContact O-N 3.47Å; S292-E296 PolarHBondContact OG-OE1 3.09Å; E296-Y298 VanDerWaalsContact C-N 3.32Å; E296-Y298 PolarHBondContact O-N 3.45Å; E296-I299 PolarHBondContact O-N 3.37Å; E296-F300 WeakPolarHBondContact O-CB 3.45Å; E296-F300 PolarHBondContact O-N 3.41Å |
| 297 | K | 88.4 | Confident | 70.8 | Confident | 165 Ų | 165 | 114.1 Ų | 114.1 | 72% | 0.717 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.5 | -36.7 | 173.6 | -80.1 | -178.6 | 176.1 | -178.5 | 0 | 112.4 | K293 H294 G301 | K293-K297 WeakPolarHBondContact O-CB 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.38Å; K293-K297 PolarHBondContact O-N 2.94Å; K293-K297 VanDerWaalsContact O-N 3.15Å; H294-K297 PolarHBondContact O-N 3.12Å; K297-G301 PolarHBondContact O-N 3.34Å |
| 298 | Y | 89.9 | Confident | 71.7 | Confident | 129 Ų | 129 | 111.9 Ų | 111.9 | 51% | 0.506 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.9 | -45.5 | 177.2 | 179.8 | -110.9 | 0 | 0 | 0 | 111.8 | H294 L295 E296 G301 L302 | H294-Y298 VanDerWaalsContact O-CB 3.27Å; H294-Y298 WeakPolarHBondContact O-CB 3.44Å; H294-Y298 PolarHBondContact O-N 2.96Å; L295-Y298 PolarHBondContact O-N 3.42Å; E296-Y298 VanDerWaalsContact C-N 3.32Å; E296-Y298 PolarHBondContact O-N 3.45Å; Y298-G301 CarbonylContact O-C 3.59Å; Y298-G301 PolarHBondContact O-N 3.36Å; Y298-L302 HydrophobicContact CD1-CD1 3.88Å; Y298-L302 HydrophobicContact CE1-CD1 3.45Å; Y298-L302 VanDerWaalsContact CE1-CD1 3.45Å; Y298-L302 HydrophobicContact CE2-CD1 4.24Å; Y298-L302 HydrophobicContact CG-CD1 4.45Å; Y298-L302 WeakPolarHBondContact O-CB 3.28Å; Y298-L302 PolarHBondContact O-N 2.95Å |
| 299 | I | 92.5 | Very high | 71.9 | Confident | 83 Ų | 83 | 111.9 Ų | 111.9 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 174.7 | -70.3 | 169.5 | 0 | 0 | 0 | 110.6 | L295 E296 G301 L302 L303 | L295-I299 HydrophobicContact CD1-CD1 3.91Å; L295-I299 HydrophobicContact CD1-CG1 4.24Å; L295-I299 HydrophobicContact CG-CD1 3.81Å; L295-I299 HydrophobicContact CG-CG1 4.49Å; L295-I299 WeakPolarHBondContact O-CB 3.49Å; L295-I299 VanDerWaalsContact O-CG1 3.25Å; L295-I299 WeakPolarHBondContact O-CG1 3.25Å; L295-I299 PolarHBondContact O-N 2.91Å; E296-I299 PolarHBondContact O-N 3.37Å; I299-G301 VanDerWaalsContact C-N 3.34Å; I299-G301 PolarHBondContact O-N 3.48Å; I299-L302 WeakPolarHBondContact O-CB 3.37Å; I299-L302 PolarHBondContact O-N 3.01Å; I299-L302 VanDerWaalsContact O-N 3.14Å; I299-L303 HydrophobicContact CG2-CD1 3.88Å; I299-L303 HydrophobicContact CG2-CG 4.37Å; I299-L303 WeakPolarHBondContact O-CB 3.43Å; I299-L303 VanDerWaalsContact O-CG 3.31Å; I299-L303 WeakPolarHBondContact O-CG 3.5Å; I299-L303 PolarHBondContact O-N 3.46Å |
| 300 | F | 85.3 | Confident | 72.1 | Confident | 127 Ų | 127 | 115.5 Ų | 115.5 | 56% | 0.557 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.7 | -42.8 | 175.3 | -171.7 | -91.4 | 0 | 0 | 0 | 111.2 | E296 L302 L303 Q304 | E296-F300 WeakPolarHBondContact O-CB 3.45Å; E296-F300 PolarHBondContact O-N 3.41Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 3.3Å; F300-L303 PolarHBondContact O-N 2.91Å; F300-Q304 VanDerWaalsContact O-CB 3.23Å; F300-Q304 WeakPolarHBondContact O-CB 3.45Å; F300-Q304 PolarHBondContact O-N 3.25Å |
| 301 | G | 90.7 | Very high | 71.9 | Confident | 18 Ų | 18 | 117.8 Ų | 117.8 | 19% | 0.186 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -66.9 | -25.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K297 Y298 I299 R305 | K297-G301 PolarHBondContact O-N 3.34Å; Y298-G301 CarbonylContact O-C 3.59Å; Y298-G301 PolarHBondContact O-N 3.36Å; I299-G301 VanDerWaalsContact C-N 3.34Å; I299-G301 PolarHBondContact O-N 3.48Å; G301-R305 VanDerWaalsContact O-CB 3.24Å; G301-R305 WeakPolarHBondContact O-CB 3.41Å; G301-R305 WeakPolarHBondContact O-CG 3.34Å; G301-R305 PolarHBondContact O-N 3.47Å; G301-R305 VanDerWaalsContact O-N 3.17Å; G301-R305 PolarHBondContact O-NE 2.92Å |
| 302 | L | 83.9 | Confident | 71.4 | Confident | 62 Ų | 62 | 117.5 Ų | 117.5 | 33% | 0.325 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.9 | -45.9 | 170.6 | -94.8 | 161.2 | 0 | 0 | 0 | 111.4 | Y298 I299 F300 R305 R306 | Y298-L302 HydrophobicContact CD1-CD1 3.88Å; Y298-L302 HydrophobicContact CE1-CD1 3.45Å; Y298-L302 VanDerWaalsContact CE1-CD1 3.45Å; Y298-L302 HydrophobicContact CE2-CD1 4.24Å; Y298-L302 HydrophobicContact CG-CD1 4.45Å; Y298-L302 WeakPolarHBondContact O-CB 3.28Å; Y298-L302 PolarHBondContact O-N 2.95Å; I299-L302 WeakPolarHBondContact O-CB 3.37Å; I299-L302 PolarHBondContact O-N 3.01Å; I299-L302 VanDerWaalsContact O-N 3.14Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 3.3Å; L302-R305 PolarHBondContact O-N 2.91Å; L302-R306 WeakPolarHBondContact O-CB 3.33Å; L302-R306 PolarHBondContact O-N 3.33Å |
| 303 | L | 83.8 | Confident | 70.5 | Confident | 110 Ų | 110 | 123.5 Ų | 123.5 | 58% | 0.576 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61 | -45.9 | 175.5 | -72.5 | 169.1 | 0 | 0 | 0 | 110.7 | I299 F300 R306 A307 | I299-L303 HydrophobicContact CG2-CD1 3.88Å; I299-L303 HydrophobicContact CG2-CG 4.37Å; I299-L303 WeakPolarHBondContact O-CB 3.43Å; I299-L303 VanDerWaalsContact O-CG 3.31Å; I299-L303 WeakPolarHBondContact O-CG 3.5Å; I299-L303 PolarHBondContact O-N 3.46Å; F300-L303 PolarHBondContact O-N 2.91Å; L303-R306 PolarHBondContact O-N 3.49Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.98Å |
| 304 | Q | 75.2 | Confident | 69.6 | Low | 129 Ų | 129 | 129.6 Ų | 129.6 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.1 | -32.3 | 179.7 | -162.8 | 170.1 | 42.2 | 0 | 0 | 112.6 | F300 | F300-Q304 VanDerWaalsContact O-CB 3.23Å; F300-Q304 WeakPolarHBondContact O-CB 3.45Å; F300-Q304 PolarHBondContact O-N 3.25Å |
| 305 | R | 65.6 | Low | 68 | Low | 171 Ų | 171 | 128 Ų | 128 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.3 | -29 | 171.3 | -77 | -179.8 | -71.9 | -176.5 | -0.8 | 113.4 | G301 L302 | G301-R305 VanDerWaalsContact O-CB 3.24Å; G301-R305 WeakPolarHBondContact O-CB 3.41Å; G301-R305 WeakPolarHBondContact O-CG 3.34Å; G301-R305 PolarHBondContact O-N 3.47Å; G301-R305 VanDerWaalsContact O-N 3.17Å; G301-R305 PolarHBondContact O-NE 2.92Å; L302-R305 PolarHBondContact O-N 2.91Å |
| 306 | R | 56.2 | Low | 65.9 | Low | 217 Ų | 217 | 134.7 Ų | 134.7 | 82% | 0.819 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81 | -31.8 | 171.1 | -76.5 | -175.1 | 170.2 | -179.4 | -1.7 | 112.9 | L302 L303 Q308 | L302-R306 WeakPolarHBondContact O-CB 3.33Å; L302-R306 PolarHBondContact O-N 3.33Å; L303-R306 PolarHBondContact O-N 3.49Å; R306-Q308 PolarHBondContact O-N 2.96Å |
| 307 | A | 57.8 | Low | 64.3 | Low | 68 Ų | 68 | 134.8 Ų | 134.8 | 56% | 0.562 | 65% | 0.648 | S | S | * | * | | | trans | -81.3 | 49.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L303 P309 | L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.98Å; A307-P309 WeakPolarHBondContact O-CD 3.33Å |
| 308 | Q | 54 | Low | 62.1 | Low | 150 Ų | 150 | 134 Ų | 134 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | | | trans | -53 | 122.4 | 154 | -79.2 | -75.7 | -22.8 | 0 | 0 | 107.4 | R306 I310 | R306-Q308 PolarHBondContact O-N 2.96Å; Q308-I310 PolarHBondContact O-N 3.34Å |
| 309 | P | 48.3 | Very low | 60.3 | Low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 67% | 0.665 | S | S | * | * | | | trans | -63 | 114.4 | 179.9 | 25 | -32.5 | 0 | 0 | 0 | 108.1 | A307 R311 | A307-P309 WeakPolarHBondContact O-CD 3.33Å; P309-R311 PolarHBondContact O-N 3.39Å |
| 310 | I | 45.7 | Very low | 57.9 | Low | 166 Ų | 166 | 135.4 Ų | 135.4 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | | | trans | -57.7 | 102.7 | 179.3 | -62.6 | 175.9 | 0 | 0 | 0 | 107.1 | Q308 A312 | Q308-I310 PolarHBondContact O-N 3.34Å; I310-A312 VanDerWaalsContact C-N 3.35Å; I310-A312 PolarHBondContact O-N 3.41Å |
| 311 | R | 48 | Very low | 56.3 | Low | 212 Ų | 212 | 136.1 Ų | 136.1 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | | | trans | -66.5 | 96.4 | -172.1 | -165.2 | -172.2 | -156.9 | -165.7 | 10.5 | 107.9 | P309 N313 | P309-R311 PolarHBondContact O-N 3.39Å; R311-N313 PolarHBondContact O-N 3.49Å |
| 312 | A | 47.4 | Very low | 53.9 | Low | 80 Ų | 80 | 138.1 Ų | 138.1 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | | | trans | -59.2 | 104 | -174 | 0 | 0 | 0 | 0 | 0 | 109.7 | I310 R314 | I310-A312 VanDerWaalsContact C-N 3.35Å; I310-A312 PolarHBondContact O-N 3.41Å; A312-R314 PolarHBondContact O-N 2.97Å |
| 313 | N | 41.5 | Very low | 52.4 | Low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | trans | -74.1 | 58.2 | 176.6 | -75.3 | -42.2 | 0 | 0 | 0 | 110.5 | R311 | R311-N313 PolarHBondContact O-N 3.49Š|
| 314 | R | 55.5 | Low | 50.5 | Low | 215 Ų | 215 | 142.5 Ų | 142.5 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | | | trans | -66.5 | 123.5 | 158.5 | -74.9 | -173.3 | 172.4 | -170.5 | -1.6 | 107.1 | A312 R316 | A312-R314 PolarHBondContact O-N 2.97Å; R314-R316 PolarHBondContact O-N 3.34Å |
| 315 | P | 44.2 | Very low | 49.7 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | | | trans | -60.7 | 127.5 | 169.9 | 25.9 | -32.7 | 0 | 0 | 0 | 108.6 | T317 | P315-T317 VanDerWaalsContact C-N 3.28Å; P315-T317 PolarHBondContact O-N 2.94Å |
| 316 | R | 43.5 | Very low | 48.5 | Very low | 239 Ų | 239 | 141 Ų | 141 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | | | trans | -75.2 | 80.7 | 175.4 | -79.5 | -174.2 | 166.7 | 121.4 | -8.5 | 109.9 | R314 N318 | R314-R316 PolarHBondContact O-N 3.34Å; R316-N318 PolarHBondContact O-N 3.38Å |
| 317 | T | 52.5 | Low | 48 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | trans | -73.2 | 67.7 | 169.1 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | P315 I319 | P315-T317 VanDerWaalsContact C-N 3.28Å; P315-T317 PolarHBondContact O-N 2.94Å; T317-I319 PolarHBondContact O-N 3.05Å |
| 318 | N | 42.6 | Very low | 47.5 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | -84.1 | 65.2 | -179.3 | -163.7 | 27 | 0 | 0 | 0 | 111.4 | R316 S320 | R316-N318 PolarHBondContact O-N 3.38Å; N318-S320 PolarHBondContact O-N 2.96Å |
| 319 | I | 52.2 | Low | 47.2 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -81.1 | 95.5 | 165.7 | 39.9 | 170.8 | 0 | 0 | 0 | 108.6 | T317 T321 | T317-I319 PolarHBondContact O-N 3.05Å; I319-T321 PolarHBondContact O-N 3.15Å |
| 320 | S | 41.4 | Very low | 46.9 | Very low | 90 Ų | 90 | 146.5 Ų | 146.5 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | -66.5 | 125.7 | 173.8 | -180 | 0 | 0 | 0 | 0 | 110.2 | N318 D322 | N318-S320 PolarHBondContact O-N 2.96Å; S320-D322 PolarHBondContact O-N 3.38Å |
| 321 | T | 52.2 | Low | 46.7 | Very low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 75% | 0.75 | S | S | * | * | | | trans | -89.4 | 53.3 | 174.1 | 57.1 | 0 | 0 | 0 | 0 | 111 | I319 | I319-T321 PolarHBondContact O-N 3.15Š|
| 322 | D | 39.7 | Very low | 46.6 | Very low | 61 Ų | 61 | 139 Ų | 139 | 33% | 0.326 | 75% | 0.748 | S | S | . | * | | | trans | -110.8 | 104.5 | 172.1 | 178.6 | 5.9 | 0 | 0 | 0 | 108.8 | S320 L324 K325 | S320-D322 PolarHBondContact O-N 3.38Å; D322-L324 PolarHBondContact O-N 2.99Å; D322-K325 IonicContact OD2-NZ 2.59Å; D322-K325 PolarHBondContact OD2-NZ 3.27Å |
| 323 | P | 52.8 | Low | 46.3 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 2.8 | -166.9 | 29.2 | -35.3 | 0 | 0 | 0 | 115 | | |
| 324 | L | 45.3 | Very low | 45.9 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 10.4 | -171.3 | -63.4 | 177.2 | 0 | 0 | 0 | 115.2 | D322 | D322-L324 PolarHBondContact O-N 2.99Š|
| 325 | K | 57.1 | Low | 44.6 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | | | trans | -131.3 | 21.7 | -173.7 | -58.3 | -164.5 | -178.7 | 82.2 | 0 | 116.5 | D322 V327 | D322-K325 IonicContact OD2-NZ 2.59Å; D322-K325 PolarHBondContact OD2-NZ 3.27Å; K325-V327 VanDerWaalsContact C-N 3.32Å; K325-V327 PolarHBondContact O-N 2.97Å |
| 326 | S | 41.8 | Very low | 44.2 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -80.7 | 61.2 | -179.4 | 45.3 | 0 | 0 | 0 | 0 | 114.4 | V328 | S326-V328 PolarHBondContact O-N 2.99Š|
| 327 | V | 45.3 | Very low | 43.7 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -71.5 | 124.5 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | K325 | K325-V327 VanDerWaalsContact C-N 3.32Å; K325-V327 PolarHBondContact O-N 2.97Å |
| 328 | V | 46.6 | Very low | 42.5 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | | | trans | -63 | 138.3 | -179.7 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | S326 | S326-V328 PolarHBondContact O-N 2.99Š|
| 329 | R | 46.9 | Very low | 41.9 | Very low | 242 Ų | 242 | 141.3 Ų | 141.3 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | | | trans | -122.5 | 115.7 | 164.3 | -83 | -170.5 | 156.8 | -163.4 | -7.9 | 111.5 | | |
| 330 | Q | 42.4 | Very low | 40.8 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | -71 | 147 | 174.3 | -72.5 | -82.9 | -8.4 | 0 | 0 | 111.3 | | |
| 331 | P | 41.3 | Very low | 40.9 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -88.2 | 111 | 172.4 | 33.1 | -30.2 | 0 | 0 | 0 | 111.5 | L333 | P331-L333 PolarHBondContact O-N 3.4Š|
| 332 | S | 46.1 | Very low | 39.7 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -82.4 | 114.5 | 175.8 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 333 | L | 41.1 | Very low | 39.3 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | | | trans | -77 | 132.7 | 165.8 | -66.1 | 172 | 0 | 0 | 0 | 109.3 | P331 | P331-L333 PolarHBondContact O-N 3.4Š|
| 334 | C | 32.6 | Very low | 38.1 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -120.1 | 110.2 | 177 | -64 | 0 | 0 | 0 | 0 | 110.4 | | |
| 335 | L | 29.6 | Very low | 37.4 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 97% | 0.969 | 80% | 0.803 | S | S | * | * | | | trans | -93.1 | 160.9 | 169.9 | -164.8 | 61.3 | 0 | 0 | 0 | 109.9 | | |
| 336 | R | 34.7 | Very low | 36.1 | Very low | 229 Ų | 229 | 134.9 Ų | 134.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -107.5 | 128 | -161.2 | 170.1 | -170.4 | 176.2 | -122.3 | 2.4 | 113.7 | | |
| 337 | Q | 32.6 | Very low | 35.7 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | 176.4 | 158.5 | 154.5 | -96.5 | 152.9 | 21.9 | 0 | 0 | 108.1 | | |
| 338 | A | 27.5 | Very low | 35 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | | | cis | -164.8 | 162.7 | -23.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 339 | S | 30.6 | Very low | 34.2 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | 56.4 | 138 | 166 | 45.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 340 | G | 28.8 | Very low | 33.2 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | -101.6 | -148.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 341 | P | 44.7 | Very low | 32.9 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | cis | -133.4 | -158.4 | 3.5 | 35.3 | -12.3 | 0 | 0 | 0 | 113.8 | | |
| 342 | F | 25.8 | Very low | 32.3 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | 70.7 | 167 | 175.7 | -55.3 | -68.9 | 0 | 0 | 0 | 116.6 | | |
| 343 | S | 31.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | cis | -170.3 | 159.1 | -40.8 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 344 | G | 28.5 | Very low | 31.2 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | 87.5 | 141.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 345 | A | 29.6 | Very low | 30.8 | Very low | 108 Ų | 108 | 134 Ų | 134 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | cis | 95.9 | 132.4 | 23.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 346 | G | 29.9 | Very low | 30.7 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | 91.6 | 122.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 347 | T | 32.4 | Very low | 30.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | cis | 89 | 124.9 | 29.9 | 73.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 348 | L | 31 | Very low | 31.4 | Very low | 159 Ų | 159 | 126 Ų | 126 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | 68.5 | 165.9 | 164.1 | -56.6 | 168.5 | 0 | 0 | 0 | 117.6 | | |
| 349 | K | 30.2 | Very low | 31.5 | Very low | 192 Ų | 192 | 126.8 Ų | 126.8 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | cis | -174.6 | 136.4 | -39.5 | -179.8 | 177.1 | 177.6 | -174.3 | 0 | 108.7 | | |
| 350 | G | 26.4 | Very low | 31.4 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 76.3 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 351 | S | 35.8 | Very low | 31.5 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | cis | -162.2 | 121.9 | -7.4 | 48.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 352 | E | 28.2 | Very low | 31 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | 94 | 167.4 | 87.4 | -161.3 | -173.3 | -120.3 | 0 | 0 | 112.8 | | |
| 353 | I | 34.2 | Very low | 31.2 | Very low | 126 Ų | 126 | 126 Ų | 126 | 65% | 0.646 | 78% | 0.781 | S | S | * | * | | | trans | 97.9 | 105.1 | 157 | -55.7 | 175.7 | 0 | 0 | 0 | 119.6 | | |
| 354 | K | 29.6 | Very low | 31.1 | Very low | 202 Ų | 202 | 124 Ų | 124 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | | | trans | 66.3 | 161.6 | 146.6 | -71 | 174.6 | -176.6 | 174.4 | 0 | 119.9 | | |
| 355 | S | 25.3 | Very low | 31.2 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | cis | -132.5 | 171.8 | 3 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 356 | V | 27.3 | Very low | 31.2 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | | | trans | -150.8 | 153.3 | -161.5 | 152.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 357 | F | 32 | Very low | 31.3 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | 69.8 | 167 | 165.5 | -73.6 | -27.5 | 0 | 0 | 0 | 118.2 | | |
| 358 | P | 50.2 | Low | 31.1 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | cis | -121.1 | -172.9 | 15.8 | 45.9 | -32.1 | 0 | 0 | 0 | 114.8 | | |
| 359 | A | 29.4 | Very low | 31 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | | | cis | -133.8 | 160.3 | -5 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 360 | G | 28.6 | Very low | 30.8 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | cis | 111.7 | 137 | 39.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 361 | E | 30.9 | Very low | 30.8 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | | | cis | -145.7 | -159.2 | -6.9 | -69.1 | -167.9 | 57.4 | 0 | 0 | 107.5 | | |
| 362 | T | 33.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | cis | -159.3 | 160.3 | 6.5 | -29 | 0 | 0 | 0 | 0 | 109.4 | | |
| 363 | S | 29.7 | Very low | 31 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | 51.1 | 141.2 | 155.1 | -80.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 364 | A | 31.7 | Very low | 31 | Very low | 76 Ų | 76 | 133 Ų | 133 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | | | cis | -168.7 | 150.4 | -15.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 365 | E | 29.4 | Very low | 30.9 | Very low | 185 Ų | 185 | 133 Ų | 133 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | 56.1 | 168.4 | 142.8 | -69.2 | -176.4 | 158 | 0 | 0 | 123.1 | | |
| 366 | V | 30.8 | Very low | 31 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | | | | -157.5 | 156.1 | -59.4 | 118.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 367 | I | 30.3 | Very low | 31.3 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | -16.2 | 109.9 | 171.1 | -61.7 | 165.7 | 0 | 0 | 0 | 120 | | |
| 368 | T | 28.3 | Very low | 31.3 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | trans | 57.7 | 157.1 | 138.8 | 66.9 | 0 | 0 | 0 | 0 | 125.3 | | |
| 369 | I | 30 | Very low | 30.4 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | | | trans | 82.9 | 106.3 | 161.3 | -41.3 | 179.9 | 0 | 0 | 0 | 118 | | |
| 370 | S | 25.8 | Very low | 30.8 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | | 168.6 | 156.7 | 114.2 | 49.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 371 | S | 26.8 | Very low | 31 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | 39.3 | 130.1 | 150.4 | 54.4 | 0 | 0 | 0 | 0 | 123.5 | | |
| 372 | S | 31.1 | Very low | 31 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | -81 | 157.4 | 150.6 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 373 | P | 37.2 | Very low | 30.9 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | | | | -136.4 | 178.3 | 102.5 | 37.3 | -25.5 | 0 | 0 | 0 | 114.4 | | |
| 374 | R | 33.2 | Very low | 31 | Very low | 234 Ų | 234 | 135.1 Ų | 135.1 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | | | trans | -88.6 | 150.8 | -175.6 | -54.5 | 171.7 | 175.5 | -173.5 | -2.5 | 113 | | |
| 375 | Q | 28.9 | Very low | 31.1 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 94% | 0.939 | 75% | 0.75 | S | S | * | * | | | trans | -164.7 | 163 | 135 | -112.4 | 169.2 | 7.4 | 0 | 0 | 112.5 | | |
| 376 | S | 27.1 | Very low | 31 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -160.2 | 140.1 | -170.6 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 377 | S | 32.4 | Very low | 30.9 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | trans | -177.9 | 159.3 | 176.2 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 378 | L | 33.2 | Very low | 30.9 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | cis | -175.6 | 160.8 | -12.7 | -94.5 | 167.7 | 0 | 0 | 0 | 103.5 | | |
| 379 | E | 29.9 | Very low | 30.8 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | cis | -163.8 | 177.2 | -33.6 | -141.2 | 73.2 | 134.6 | 0 | 0 | 104.2 | | |
| 380 | S | 38.9 | Very low | 30.7 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | cis | -150.6 | -154.9 | 6.7 | 37.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 381 | K | 31.9 | Very low | 31.2 | Very low | 160 Ų | 160 | 138 Ų | 138 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | | | cis | -155.4 | 169.2 | 22.9 | -88.8 | -163.8 | 154.7 | -80.6 | 0 | 107.7 | | |
| 382 | N | 32.1 | Very low | 32.1 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 45% | 0.449 | 75% | 0.752 | S | S | . | * | | | cis | -154.4 | 155.1 | -5 | -126 | 20.5 | 0 | 0 | 0 | 109.4 | | |
| 383 | E | 30.6 | Very low | 32.1 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | | | trans | 54.8 | 142.2 | 150 | -78.9 | 127.4 | -146.9 | 0 | 0 | 120.8 | | |
| 384 | E | 30.9 | Very low | 31.7 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | | | cis | -154.5 | 170.5 | -8.4 | -172.9 | 160.4 | -163.2 | 0 | 0 | 111.8 | | |
| 385 | K | 34.1 | Very low | 31.9 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | | | trans | -37.6 | 160.7 | 177.1 | -50.9 | 144.5 | -169.6 | 160 | 0 | 116.6 | | |
| 386 | G | 27.3 | Very low | 32.1 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | | | cis | 149.4 | 159.8 | -7.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 387 | T | 30 | Very low | 32.5 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | trans | 72.3 | 121.6 | 148.1 | -54.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 388 | Q | 29.6 | Very low | 32.6 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | | | trans | 91.2 | 122.6 | 150.1 | -85.5 | -175.1 | 101.5 | 0 | 0 | 124.5 | | |
| 389 | R | 25.9 | Very low | 32.7 | Very low | 220 Ų | 220 | 138.5 Ų | 138.5 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | | | trans | 43.3 | 132.4 | 133 | -68.7 | -177.9 | -174.6 | -103.6 | 4.1 | 123.2 | | |
| 390 | A | 28.4 | Very low | 32.8 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | 76.4 | 143.1 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 391 | S | 35.6 | Very low | 32.6 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | -89.5 | 155.6 | 154.4 | 56 | 0 | 0 | 0 | 0 | 109.3 | | |
| 392 | P | 45.5 | Very low | 32.6 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | | -143.1 | -164.1 | 85.3 | 41 | -24.7 | 0 | 0 | 0 | 114 | | |
| 393 | D | 30.8 | Very low | 32.8 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -72 | -169.4 | 179.6 | -56.6 | -88 | 0 | 0 | 0 | 115.5 | | |
| 394 | D | 29.3 | Very low | 32.9 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | 112.6 | 145.8 | 161.2 | -70.3 | -22.9 | 0 | 0 | 0 | 117 | | |
| 395 | T | 37 | Very low | 33 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | cis | -161.3 | 163.4 | -46.8 | 9.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 396 | D | 34.4 | Very low | 32.9 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | 56.5 | 139.6 | 158.2 | -68 | -12.8 | 0 | 0 | 0 | 122.8 | | |
| 397 | I | 34.2 | Very low | 33 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | | -168.2 | 145.3 | 119.8 | -98.6 | 159.3 | 0 | 0 | 0 | 109.7 | | |
| 398 | M | 34.6 | Very low | 33.1 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -98 | 148.4 | -173.7 | -94.8 | -160 | -175.9 | 0 | 0 | 115 | | |
| 399 | Q | 36.2 | Very low | 33.3 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | | | trans | 47.9 | 134.9 | 144.3 | -56.1 | -179.7 | 31.5 | 0 | 0 | 121.3 | | |
| 400 | I | 31.8 | Very low | 33.4 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | | -175.5 | 156.1 | 99.3 | -92.4 | 171.6 | 0 | 0 | 0 | 110.8 | | |
| 401 | S | 34.8 | Very low | 33.6 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -85 | 155.8 | -164.9 | -52.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 402 | S | 31.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -158.9 | 161.8 | 135.8 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 403 | K | 35.7 | Very low | 32.7 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | -128.1 | 157.5 | 179.7 | -65.1 | 177.3 | 177.8 | 176.6 | 0 | 109.5 | | |
| 404 | I | 32.8 | Very low | 32.7 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -169.4 | 149.1 | 130.5 | -99.6 | 153 | 0 | 0 | 0 | 112.7 | | |
| 405 | N | 33.3 | Very low | 32.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | -73.9 | 171 | -165.7 | -61.3 | -55.1 | 0 | 0 | 0 | 118.2 | | |
| 406 | K | 32 | Very low | 32.6 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | 74.8 | 147.9 | 152.1 | -74.9 | 171.5 | 178.7 | -169.4 | 0 | 117.8 | | |
| 407 | G | 30 | Very low | 32.2 | Very low | 63 Ų | 63 | 140.1 Ų | 140.1 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | cis | 178 | -171.5 | -3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 408 | D | 30.7 | Very low | 32.1 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | 68.4 | 93.3 | 157.3 | -55.3 | -40 | 0 | 0 | 0 | 122 | | |
| 409 | S | 33.9 | Very low | 31.7 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | | 59.2 | 119.5 | 106.2 | -56.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 410 | N | 28.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 79.2 | 165.4 | 133.9 | -67.2 | -27.7 | 0 | 0 | 0 | 121.5 | | |
| 411 | S | 32.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | trans | 60.7 | 108.7 | -174.1 | 45.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 412 | N | 26.9 | Very low | 31.2 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | cis | 68.1 | 124.8 | 45.8 | -162.8 | 18.9 | 0 | 0 | 0 | 113.6 | | |
| 413 | L | 36.4 | Very low | 31.2 | Very low | 139 Ų | 139 | 136 Ų | 136 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | 31.2 | 116.1 | 159.3 | -80.7 | 168 | 0 | 0 | 0 | 118 | | |
| 414 | Q | 29.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | | 179.8 | 164.1 | 102.9 | -107.7 | 172.8 | 31 | 0 | 0 | 116.8 | | |
| 415 | N | 31.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 134 Ų | 134 | 58% | 0.583 | 74% | 0.743 | S | S | * | * | | | trans | 68.5 | 127.7 | 141.1 | -68.7 | -14.1 | 0 | 0 | 0 | 122.3 | | |
| 416 | N | 32.3 | Very low | 31.2 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | | 69 | 157.8 | 129.7 | -60.5 | -10 | 0 | 0 | 0 | 119.5 | | |
| 417 | C | 28 | Very low | 31.4 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | cis | -165.6 | 156.3 | -31 | -107.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 418 | S | 30.1 | Very low | 31.8 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | 70.7 | 146.1 | 144.7 | -67.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 419 | V | 27.7 | Very low | 32.1 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | | | trans | 75.2 | 127.8 | 139.9 | 160.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 420 | T | 29.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | cis | -157.6 | 171.4 | 8.5 | 2.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 421 | S | 31.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | 80.7 | 149.1 | 165.4 | 87.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 422 | R | 31.5 | Very low | 32.7 | Very low | 225 Ų | 225 | 141.5 Ų | 141.5 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | | | cis | -144.2 | 99.9 | 7.6 | -175.6 | -178 | -67 | -136.9 | -0.4 | 113.4 | | |
| 423 | V | 31 | Very low | 33.1 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | | | | 50.9 | 107.9 | 120.7 | -178.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 424 | K | 35.3 | Very low | 33.4 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | 61 | 152.3 | 138.8 | -60.4 | 175.8 | -170.6 | 173 | 0 | 121 | | |
| 425 | N | 33.6 | Very low | 33.8 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | cis | -173.2 | 141.6 | -20.6 | -102 | -1.7 | 0 | 0 | 0 | 110.3 | | |
| 426 | T | 33.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | | | trans | -178.6 | 157.8 | 147.1 | 22.8 | 0 | 0 | 0 | 0 | 112 | | |
| 427 | S | 35 | Very low | 34.1 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | | -178.6 | 102.5 | -79.7 | 175 | 0 | 0 | 0 | 0 | 113.9 | | |
| 428 | T | 40.2 | Very low | 34.2 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | | | trans | -156.4 | 119.2 | 156.2 | 38.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 429 | K | 36.9 | Very low | 34.2 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | | | | 67.7 | 128.6 | 70.2 | -68.4 | 176.1 | -179.4 | 171.7 | 0 | 112.3 | | |
| 430 | R | 32.8 | Very low | 34.3 | Very low | 214 Ų | 214 | 144.4 Ų | 144.4 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | cis | -161.3 | 132.1 | 16.6 | -126.7 | -178.1 | 177.7 | -166.4 | 0.2 | 114.5 | | |
| 431 | L | 35.8 | Very low | 34.3 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | 54.3 | -175.8 | 153.3 | -54.3 | 166.6 | 0 | 0 | 0 | 116.6 | | |
| 432 | I | 38.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | cis | -151.2 | 162.9 | -6.7 | -146.3 | 162.1 | 0 | 0 | 0 | 106.7 | | |
| 433 | S | 34.3 | Very low | 34 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | cis | -125.3 | -158 | 9.3 | -76.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 434 | K | 43.2 | Very low | 33.9 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | cis | 69.8 | 139.9 | 15.1 | -57.4 | -178 | 179.6 | -179.1 | 0 | 116.5 | | |
| 435 | T | 37.7 | Very low | 33.6 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | | | cis | -126.9 | 165.5 | -4.3 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 436 | G | 33.3 | Very low | 33.3 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | | | cis | 156.1 | 134.5 | -12.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 437 | K | 35.7 | Very low | 33.4 | Very low | 222 Ų | 222 | 134.2 Ų | 134.2 | 97% | 0.965 | 80% | 0.798 | S | S | * | * | | | trans | 69.5 | 149 | -179.1 | -50 | 177.9 | -178.4 | -177.9 | 0 | 113.7 | | |
| 438 | G | 31.4 | Very low | 33.5 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | cis | 132.9 | 148.6 | 8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 439 | S | 29.8 | Very low | 32.9 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | cis | -177.2 | 138.7 | 0.6 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 440 | L | 29.3 | Very low | 32.4 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | 63.4 | 170.5 | 159.6 | -52.3 | 169 | 0 | 0 | 0 | 115.9 | | |
| 441 | S | 28.9 | Very low | 32.1 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | cis | -149.5 | 153.2 | 1.2 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 442 | L | 29.8 | Very low | 31.6 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -7.4 | 158.2 | 152.9 | -67.3 | 157.9 | 0 | 0 | 0 | 122.8 | | |
| 443 | S | 28.6 | Very low | 31 | Very low | 130 Ų | 130 | 128 Ų | 128 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | 78.3 | 150.6 | 160.1 | -140 | 0 | 0 | 0 | 0 | 116.5 | | |
| 444 | G | 28.4 | Very low | 31 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | cis | -156.1 | -171.6 | 3.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 445 | A | 28.8 | Very low | 30.3 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -93.7 | 177 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 446 | S | 27.8 | Very low | 30 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | 89.7 | 136.8 | 170.4 | 79.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 447 | V | 34.3 | Very low | 29.9 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -102.4 | 142.4 | 170.7 | 173 | 0 | 0 | 0 | 0 | 107 | | |
| 448 | P | 38.4 | Very low | 29.6 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -126.4 | 162.2 | 139 | 36.3 | -28.8 | 0 | 0 | 0 | 112.7 | | |
| 449 | T | 27.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -103.9 | 172.2 | -169.5 | -22.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 450 | L | 26 | Very low | 31.1 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | | | trans | 78.7 | 158.7 | 149 | -80 | 166.9 | 0 | 0 | 0 | 120.4 | | |
| 451 | L | 25.7 | Very low | 31.1 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | 68.4 | 128.6 | 170.9 | -62.7 | 176.7 | 0 | 0 | 0 | 115.1 | | |
| 452 | T | 26.7 | Very low | 31.1 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | | | cis | 56.5 | 107.9 | 29.4 | 78 | 0 | 0 | 0 | 0 | 113.1 | | |
| 453 | D | 26.9 | Very low | 31.1 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | | -169.5 | 162.3 | 72.5 | -147.3 | 10.6 | 0 | 0 | 0 | 114.6 | | |
| 454 | N | 33 | Very low | 31.5 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | | | trans | 61.6 | 153.6 | 161.2 | -59.6 | -54 | 0 | 0 | 0 | 119.3 | | |
| 455 | T | 29.4 | Very low | 32.1 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | | | cis | -155.6 | 165.7 | 20.3 | -28.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 456 | V | 31.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | trans | 83.7 | 95.7 | 158.4 | -175.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 457 | Q | 31 | Very low | 32.6 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | | 58.7 | 141.1 | 129.5 | -55.3 | -171.5 | 14.4 | 0 | 0 | 125.6 | | |
| 458 | R | 29.2 | Very low | 32.7 | Very low | 219 Ų | 219 | 140.3 Ų | 140.3 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | 86.1 | 59.5 | 139.9 | -133.1 | 165.6 | -172.6 | 148.1 | -2.4 | 121.7 | | |
| 459 | S | 37.7 | Very low | 32.3 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | | 15.4 | 146.7 | 125.4 | 63.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 460 | P | 54.8 | Low | 32.5 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | cis | -138.5 | -154.8 | 13.1 | 44.7 | -23.8 | 0 | 0 | 0 | 112.5 | | |
| 461 | K | 29.6 | Very low | 32.6 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | cis | -157.5 | 152.5 | -3.5 | -160.3 | 61.2 | -174.6 | -179.2 | 0 | 111.1 | | |
| 462 | C | 28.8 | Very low | 33.6 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | | | trans | 44.9 | 85.4 | 154.6 | -72.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 463 | N | 29.3 | Very low | 33.5 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | | 70 | 150 | 110.7 | -59.1 | 13 | 0 | 0 | 0 | 122.6 | | |
| 464 | S | 38.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -151 | 166.3 | -173.1 | 58 | 0 | 0 | 0 | 0 | 113.1 | | |
| 465 | S | 39.1 | Very low | 34 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | 31.5 | 144 | 148.5 | 60.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 466 | N | 32.8 | Very low | 34 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -137.8 | 142.5 | 162 | -99.2 | -13 | 0 | 0 | 0 | 112.6 | | |
| 467 | K | 34.5 | Very low | 33.8 | Very low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | | | trans | -165.3 | 148.4 | 150.3 | -139 | -171.4 | 178.9 | -162.6 | 0 | 111.9 | | |
| 468 | E | 36.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -95.5 | 177.3 | -173.6 | -44.8 | 117.6 | 112.8 | 0 | 0 | 114.7 | | |
| 469 | T | 30.8 | Very low | 34.1 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | | -179 | 133.1 | 116.4 | -62.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 470 | S | 30.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 48.8 | 123.1 | 156.9 | 71.7 | 0 | 0 | 0 | 0 | 125.6 | | |
| 471 | Q | 28.7 | Very low | 32.8 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | | 23 | 164.9 | 119.7 | -99.4 | -164.4 | -2.1 | 0 | 0 | 123.6 | | |
| 472 | P | 46.7 | Very low | 32.8 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -140.1 | -169.2 | -7.2 | 38.8 | -18 | 0 | 0 | 0 | 117.1 | | |
| 473 | C | 25.1 | Very low | 32.8 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | 93.3 | 142.3 | 158.2 | -69.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 474 | C | 28.9 | Very low | 32.7 | Very low | 124 Ų | 124 | 137 Ų | 137 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | -106.9 | -177.2 | -175.3 | -49.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 475 | P | 41.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | | -158.6 | -175 | 81.2 | 44.3 | -24.1 | 0 | 0 | 0 | 117.7 | | |
| 476 | V | 28 | Very low | 31.8 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 77.4 | 136.5 | 160.7 | -177.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 477 | D | 28.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | -90.9 | 176.7 | -179.2 | -57.2 | -88.6 | 0 | 0 | 0 | 114.5 | | |
| 478 | Q | 32.3 | Very low | 31.5 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | | 136.5 | 109.1 | 114.8 | -159.1 | 165.1 | 14.1 | 0 | 0 | 115 | | |
| 479 | E | 32.7 | Very low | 31.3 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | | | trans | 62.6 | 169.6 | 145.4 | -67.9 | 175 | -147.7 | 0 | 0 | 120.3 | | |
| 480 | Q | 33.8 | Very low | 31.2 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 64% | 0.64 | 76% | 0.761 | S | S | * | * | | | cis | -164.6 | 171.8 | -44.5 | -106.3 | -173.8 | 61.6 | 0 | 0 | 105.5 | | |
| 481 | I | 32.3 | Very low | 31.4 | Very low | 138 Ų | 138 | 139 Ų | 139 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | trans | 68.9 | 141.7 | 147.1 | -82.1 | 166.1 | 0 | 0 | 0 | 116.4 | | |
| 482 | I | 30.2 | Very low | 31.4 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 58% | 0.579 | 76% | 0.76 | S | S | * | * | | | cis | -165.8 | 157.1 | -11 | -132.5 | 174.3 | 0 | 0 | 0 | 109 | | |
| 483 | K | 27.6 | Very low | 30.5 | Very low | 176 Ų | 176 | 136 Ų | 136 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | | | trans | 35.6 | 152.3 | 153.3 | -58.9 | 162.8 | -162.8 | 168.3 | 0 | 122.5 | | |
| 484 | S | 27.6 | Very low | 30.9 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | cis | 172.3 | 157.5 | -30.3 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 485 | V | 27.5 | Very low | 31.1 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | | | trans | 87.4 | 153.3 | 159.8 | -169.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 486 | L | 31.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | trans | 88 | 130.5 | 178 | -56.6 | -179 | 0 | 0 | 0 | 115.4 | | |
| 487 | T | 30.8 | Very low | 30.8 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | cis | -141.2 | 167.2 | 2.3 | 15.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 488 | A | 29.8 | Very low | 31.7 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | -59.4 | 147.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 489 | K | 32.3 | Very low | 31.8 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | | | | -161.6 | 157.7 | 118.7 | -112.5 | 174 | -176.6 | 176.1 | 0 | 112.2 | | |
| 490 | T | 29.2 | Very low | 32.2 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -98.4 | 164.7 | 174.9 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 491 | Q | 33.7 | Very low | 32.6 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | cis | -117.5 | -169 | 9.3 | -50.3 | 178.6 | 26.1 | 0 | 0 | 110.1 | | |
| 492 | T | 28.9 | Very low | 32.6 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | | | cis | -156.8 | 174.1 | 8.4 | -14.7 | 0 | 0 | 0 | 0 | 105.7 | | |
| 493 | A | 28.6 | Very low | 32.9 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | cis | -145.3 | -98.2 | 5.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 494 | A | 32.8 | Very low | 33.2 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | -160 | 152.8 | -164.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 495 | S | 33.4 | Very low | 33.3 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | | | cis | -159.3 | 129 | -8.6 | -109.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 496 | K | 34.5 | Very low | 34.6 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | 55.3 | 118.5 | 132.9 | -60.1 | -178.4 | 179.8 | -178.4 | 0 | 122.6 | | |
| 497 | K | 28.9 | Very low | 34.7 | Very low | 202 Ų | 202 | 139 Ų | 139 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | | | | -139.7 | 154.3 | 129 | -66.2 | -171.4 | -178.8 | -178.1 | 0 | 106.6 | | |
| 498 | L | 47.4 | Very low | 34.8 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | cis | -148.4 | -178.5 | -5.3 | -154.2 | 72.3 | 0 | 0 | 0 | 107.8 | | |
| 499 | S | 33.1 | Very low | 34.8 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -146.7 | 142 | 174.6 | 55.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 500 | K | 42.7 | Very low | 35 | Very low | 202 Ų | 202 | 139 Ų | 139 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | | | trans | -113.2 | 165.9 | 164.3 | -68.1 | -174.9 | 176.4 | -174.5 | 0 | 109.8 | | |
| 501 | P | 41.6 | Very low | 35.2 | Very low | 133 Ų | 133 | 137 Ų | 137 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -118 | -167.2 | 145.9 | 33.8 | -21.2 | 0 | 0 | 0 | 112.7 | | |
| 502 | L | 31.7 | Very low | 35.1 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -155.9 | 176.7 | -155.4 | -144.7 | 140.3 | 0 | 0 | 0 | 111.2 | | |
| 503 | Q | 37.8 | Very low | 35.2 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | 78.5 | 160.4 | 165.3 | -65.4 | 179.4 | -23.5 | 0 | 0 | 118.5 | | |
| 504 | S | 32.2 | Very low | 35.3 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | cis | 177.9 | 148.5 | -44.9 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 505 | G | 30.5 | Very low | 35.3 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | -176.1 | 149.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 506 | P | 55.3 | Low | 35.3 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -141.6 | 168 | -163.5 | 43.6 | -25.2 | 0 | 0 | 0 | 119.9 | | |
| 507 | S | 33.3 | Very low | 35.2 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -168.2 | 138 | 140.9 | 57.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 508 | E | 33.6 | Very low | 35.3 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | | 63.6 | 132 | 58.3 | -63.5 | -166.3 | 168.6 | 0 | 0 | 113.2 | | |
| 509 | D | 30.3 | Very low | 34.6 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | | | cis | -151.6 | 161.8 | 16.9 | -153 | 15.4 | 0 | 0 | 0 | 116.8 | | |
| 510 | K | 35.1 | Very low | 35.3 | Very low | 154 Ų | 154 | 131 Ų | 131 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | trans | 20.7 | 147.4 | 156.8 | -76.2 | 167 | -158.1 | 74.4 | 0 | 123.1 | | |
| 511 | S | 34.2 | Very low | 34.7 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | cis | -177.7 | -166.5 | -6.4 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 512 | E | 30.8 | Very low | 34.5 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | cis | -157.7 | -54.1 | 5.7 | -144.6 | 150.8 | 104.4 | 0 | 0 | 117.1 | | |
| 513 | L | 31.3 | Very low | 34.7 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | | | trans | -131.9 | 150 | -161.3 | -105.3 | 61 | 0 | 0 | 0 | 110.6 | | |
| 514 | V | 31.5 | Very low | 34.3 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 65% | 0.648 | 72% | 0.717 | S | S | * | * | | | cis | -169.2 | 165.7 | -9.7 | 93 | 0 | 0 | 0 | 0 | 106.7 | | |
| 515 | H | 33.2 | Very low | 34.3 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | cis | -145 | -153.9 | 6.8 | -111 | -49.5 | 0 | 0 | 0 | 106.8 | | |
| 516 | S | 32.8 | Very low | 34.5 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | | | | -157.5 | 173 | -87.9 | -79.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 517 | S | 32.3 | Very low | 33.5 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | | | trans | 51.6 | 94.5 | -171.5 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 518 | A | 30.8 | Very low | 33.5 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 69% | 0.694 | S | S | * | * | | | cis | 66.2 | 103.6 | 37.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 519 | E | 33.6 | Very low | 33.4 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | | | | 98.9 | 170.3 | 80.4 | -82.4 | -102.6 | -149 | 0 | 0 | 110.2 | | |
| 520 | P | 46.5 | Very low | 33.3 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 58% | 0.584 | 70% | 0.695 | S | S | * | * | | | cis | -138.2 | -174.1 | -3.2 | 21.3 | 5.9 | 0 | 0 | 0 | 117.6 | | |
| 521 | F | 30.6 | Very low | 33.6 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 80% | 0.803 | 70% | 0.704 | S | S | * | * | | | trans | 80.8 | 105.2 | 159.7 | -69.6 | -69.2 | 0 | 0 | 0 | 118.1 | | |
| 522 | A | 38.3 | Very low | 33.2 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 60% | 0.603 | 71% | 0.712 | S | S | * | * | | | cis | 71.8 | 149 | 24.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 523 | Q | 35.4 | Very low | 33.2 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 77% | 0.771 | 72% | 0.719 | S | S | * | * | | | cis | -166.5 | 177.5 | -9.5 | -117.4 | 175.9 | 21.5 | 0 | 0 | 106.5 | | |
| 524 | N | 29.3 | Very low | 33 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | | | cis | -148 | 174.8 | 7.5 | -108 | -35.6 | 0 | 0 | 0 | 106.9 | | |
| 525 | H | 32.2 | Very low | 32.9 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 73% | 0.731 | 72% | 0.72 | S | S | * | * | | | | 51.1 | 143 | 60.4 | -61.4 | -54 | 0 | 0 | 0 | 114.7 | | |
| 526 | K | 35.1 | Very low | 32.8 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | | | cis | -160.2 | -173.2 | -1.5 | -120 | 170.7 | 150.1 | -154.2 | 0 | 106.6 | | |
| 527 | E | 33.8 | Very low | 32.8 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | | | cis | -161.9 | 157.4 | 9.9 | -134.4 | 143.7 | 176.5 | 0 | 0 | 109.7 | | |
| 528 | D | 32.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | | | | 35.9 | 152.6 | 129.5 | -74.1 | 30.3 | 0 | 0 | 0 | 124.5 | | |
| 529 | I | 32.4 | Very low | 32.6 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 62% | 0.621 | 73% | 0.729 | S | S | * | * | | | cis | -168.8 | 176.9 | -21.9 | -137 | 170.3 | 0 | 0 | 0 | 109.8 | | |
| 530 | R | 27.6 | Very low | 32.5 | Very low | 215 Ų | 215 | 139.7 Ų | 139.7 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | | | trans | 85.3 | 128.4 | 157.8 | -115.1 | 168.1 | -75.2 | -124.6 | -2.4 | 120.5 | | |
| 531 | V | 42 | Very low | 31.9 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | | | trans | -106.7 | 139.4 | 167.4 | 172.7 | 0 | 0 | 0 | 0 | 109 | | |
| 532 | V | 26.6 | Very low | 32 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | | | trans | -140.9 | 141.8 | 169.4 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 533 | R | 30 | Very low | 31.6 | Very low | 235 Ų | 235 | 142.8 Ų | 142.8 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | | | trans | -74.9 | 155.1 | 175.5 | -53.3 | 164.8 | 173.5 | 143 | -7.3 | 111.7 | | |
| 534 | R | 26.9 | Very low | 31.3 | Very low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | | -162.5 | 145 | 115.6 | -130.3 | 169.7 | -176.7 | 149 | 5 | 114.9 | | |
| 535 | S | 29.2 | Very low | 31.5 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 57% | 0.573 | 76% | 0.758 | S | S | * | * | | | trans | -68.7 | 173.5 | 173.1 | 42.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 536 | H | 30.5 | Very low | 31.5 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | | | | 165.6 | 137.1 | 109.6 | -82.4 | -63.2 | 0 | 0 | 0 | 113 | | |
| 537 | V | 32.8 | Very low | 31.3 | Very low | 139 Ų | 139 | 146 Ų | 146 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | | | trans | 52.1 | 132.3 | 150.1 | -174.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 538 | G | 28.2 | Very low | 31.1 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | | | cis | 118.6 | 100.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 539 | N | 31.5 | Very low | 31.4 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | | | trans | -170.8 | 155.1 | 164.2 | -125.9 | -23 | 0 | 0 | 0 | 115.5 | | |
| 540 | G | 31 | Very low | 31.3 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | 95 | 98.3 | 146 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 541 | N | 33.8 | Very low | 31.7 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | -112 | 124.9 | 164.8 | -86.5 | -38 | 0 | 0 | 0 | 111.6 | | |
| 542 | L | 32.6 | Very low | 31.3 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | trans | -169.9 | 126.4 | 155.8 | -131.9 | 66.8 | 0 | 0 | 0 | 107.6 | | |
| 543 | A | 29.6 | Very low | 31.5 | Very low | 78 Ų | 78 | 150 Ų | 150 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | | | cis | 93.1 | 125.3 | 25.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 544 | K | 30.9 | Very low | 31.6 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | 71.2 | 157.4 | 169.1 | -60 | 178.6 | -179.4 | 177 | 0 | 116.7 | | |
| 545 | Q | 32.1 | Very low | 32.3 | Very low | 162 Ų | 162 | 139 Ų | 139 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | cis | -168.6 | 168.4 | -24.7 | -109.9 | 173.4 | -35 | 0 | 0 | 108.9 | | |
| 546 | H | 33.5 | Very low | 33 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | trans | 65.8 | 163.8 | 161.4 | -107 | -169.8 | 0 | 0 | 0 | 116.3 | | |
| 547 | N | 30.2 | Very low | 33.4 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | cis | -150.2 | 140.9 | -24.2 | -141.4 | -3.5 | 0 | 0 | 0 | 105.1 | | |
| 548 | G | 30.4 | Very low | 33.7 | Very low | 57 Ų | 57 | 143 Ų | 143 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | | 84.1 | 102.3 | 60 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 549 | K | 36.9 | Very low | 33.9 | Very low | 216 Ų | 216 | 148.8 Ų | 148.8 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | | | trans | -158.9 | 153.7 | 159.3 | -111.9 | 158.9 | -170.6 | 173.2 | 0 | 111.6 | | |
| 550 | H | 30.6 | Very low | 34.5 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | -112.4 | 169.5 | -162.1 | -69.7 | -99.8 | 0 | 0 | 0 | 114.4 | | |
| 551 | R | 37.4 | Very low | 34.6 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | 111.9 | 150.8 | 143.9 | -64.2 | -168.8 | 178 | -161.5 | 1.1 | 116.3 | | |
| 552 | K | 33.3 | Very low | 34.6 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | | | cis | -171.6 | 118.8 | -25.6 | 174.4 | 174.9 | 178.4 | 179.2 | 0 | 110.4 | | |
| 553 | G | 31 | Very low | 34.7 | Very low | 75 Ų | 75 | 149.7 Ų | 149.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | 79.7 | -179.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 554 | N | 30.5 | Very low | 34.8 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | | | cis | -170.9 | 94 | -19.8 | -179.9 | 44.7 | 0 | 0 | 0 | 112.7 | R556 | N554-R556 PolarHBondContact ND2-NH2 3.43Å; N554-R556 PolarHBondContact OD1-NH2 2.93Å |
| 555 | S | 43.3 | Very low | 35.1 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -165.4 | 134 | 167.4 | 38.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 556 | R | 43.7 | Very low | 35.3 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | cis | 65.1 | 117.9 | 12.7 | -72.4 | -170.2 | -82.6 | 176 | -9.7 | 114 | N554 | N554-R556 PolarHBondContact ND2-NH2 3.43Å; N554-R556 PolarHBondContact OD1-NH2 2.93Å |
| 557 | N | 39.1 | Very low | 35.3 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | cis | -139.8 | -171 | 3 | -52.8 | -76.1 | 0 | 0 | 0 | 109.2 | | |
| 558 | V | 37.9 | Very low | 35.4 | Very low | 129 Ų | 129 | 151 Ų | 151 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | | | cis | -155.2 | 130.7 | 46.6 | 172.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 559 | K | 33.6 | Very low | 35.5 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | 7.4 | 130 | 151.5 | -54 | 171.4 | -177.7 | 174.2 | 0 | 120.5 | | |
| 560 | I | 42.3 | Very low | 35.1 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | | | trans | -121.2 | 138.2 | 133.3 | -60.8 | 179.1 | 0 | 0 | 0 | 107.7 | | |
| 561 | T | 33.5 | Very low | 35.1 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -123.5 | 153.1 | 179.3 | 44.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 562 | K | 33.2 | Very low | 34.6 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | cis | 163.7 | 167 | -2.9 | -179.7 | -174.1 | 173.7 | -178.4 | 0 | 103 | | |
| 563 | V | 34.9 | Very low | 34.6 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | 83.7 | 135.2 | 165.5 | -174.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 564 | K | 33.3 | Very low | 34.5 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | cis | -170.2 | 141.6 | -20.7 | 167.6 | -177.1 | 176 | -173.6 | 0 | 109 | | |
| 565 | S | 35.5 | Very low | 34.4 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -158 | 152.3 | 152.6 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 566 | T | 37.4 | Very low | 33.7 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 58% | 0.577 | 77% | 0.767 | S | S | * | * | | | trans | -153.9 | 133.4 | -167.4 | 47.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 567 | N | 33.2 | Very low | 33 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | | | trans | 71 | 111.7 | 144.9 | -58.6 | -3.2 | 0 | 0 | 0 | 122.2 | | |
| 568 | R | 32.3 | Very low | 32.6 | Very low | 223 Ų | 223 | 146 Ų | 146 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | | 44.2 | 139.4 | 115.3 | -94.4 | -175.3 | 163.6 | -161.4 | -4.8 | 122.6 | | |
| 569 | T | 33.1 | Very low | 32.1 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 65.9 | 151.9 | 145.4 | 48.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 570 | S | 29 | Very low | 32.2 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | cis | -161.5 | 162.9 | -18 | -168.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 571 | T | 30.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | 4.4 | 137 | 154.7 | 52.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 572 | M | 27.2 | Very low | 32.1 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | | -168.6 | 164.4 | 129.3 | -108.3 | -57.8 | -83.8 | 0 | 0 | 113.7 | | |
| 573 | L | 33.2 | Very low | 32.1 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -119.4 | 130.2 | 172.9 | -77.2 | 170.3 | 0 | 0 | 0 | 111.4 | | |
| 574 | A | 27.6 | Very low | 32.1 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | | | trans | -172.3 | 142.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 575 | S | 30 | Very low | 32.1 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | cis | 82.1 | 100.4 | 11.5 | -154.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 576 | E | 28.3 | Very low | 31.8 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | trans | 63 | 136.2 | 154.1 | -74.5 | -146.8 | 120.5 | 0 | 0 | 123.3 | | |
| 577 | R | 29 | Very low | 31.6 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | | | trans | 68.1 | 137.1 | 143.6 | -73.5 | 171.9 | -155.9 | -91.4 | -15.7 | 118.2 | | |
| 578 | K | 29.9 | Very low | 31.4 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | cis | -134.3 | 174.9 | -12.2 | -72 | 179.3 | 178.3 | 171 | 0 | 106.2 | | |
| 579 | E | 28.3 | Very low | 31.2 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | | | cis | -153.4 | -173.1 | 44.6 | -74.2 | -168.8 | 131.8 | 0 | 0 | 114 | | |
| 580 | V | 35.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | trans | -115.7 | 149.6 | -170.6 | 166.6 | 0 | 0 | 0 | 0 | 107 | | |
| 581 | P | 42.1 | Very low | 31.6 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | cis | -126.8 | -167.2 | 37.2 | 31.8 | -7.4 | 0 | 0 | 0 | 113.2 | | |
| 582 | S | 31.1 | Very low | 32.1 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | cis | -158.2 | 149.1 | 20.4 | -156 | 0 | 0 | 0 | 0 | 115.4 | | |
| 583 | E | 32.8 | Very low | 32.2 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 64% | 0.64 | 74% | 0.744 | S | S | * | * | | | trans | 45.9 | 124.2 | 146.9 | -71.9 | -162.9 | 153.8 | 0 | 0 | 126 | | |
| 584 | K | 34.7 | Very low | 32.3 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 62% | 0.617 | 75% | 0.745 | S | S | * | * | | | | 72.2 | 119.6 | 128.6 | -66.6 | 170.2 | -173.4 | 153.1 | 0 | 122.2 | | |
| 585 | K | 32.8 | Very low | 32.4 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | 68 | 160.2 | 131.3 | -68.6 | -177.6 | 179.8 | -177 | 0 | 117.8 | | |
| 586 | D | 30.4 | Very low | 32.7 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 55% | 0.551 | 75% | 0.751 | S | S | * | * | | | cis | -151.1 | 163.7 | -20.4 | -132.4 | -31.7 | 0 | 0 | 0 | 109.4 | | |
| 587 | K | 33.4 | Very low | 33.4 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | | | trans | 34.1 | 122.8 | 146.2 | -70.2 | 153 | -164.5 | 140.2 | 0 | 122.7 | | |
| 588 | F | 27.8 | Very low | 33.6 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | | | | 67.2 | 126.5 | 128 | -72.6 | -57.8 | 0 | 0 | 0 | 123.3 | | |
| 589 | C | 29.2 | Very low | 34 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 69% | 0.689 | 76% | 0.759 | S | S | * | * | | | | 87.3 | 124.8 | 125.9 | -78.9 | 0 | 0 | 0 | 0 | 123.4 | | |
| 590 | L | 29.6 | Very low | 34.5 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | trans | 83 | 133.6 | 135.8 | -66.2 | 168.1 | 0 | 0 | 0 | 120.6 | | |
| 591 | I | 40.4 | Very low | 34.3 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | | | trans | -85 | 140.6 | 168.9 | -53.5 | 160.2 | 0 | 0 | 0 | 108 | | |
| 592 | P | 40.5 | Very low | 33.8 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -133.8 | 176.6 | 133 | 25.8 | -7.8 | 0 | 0 | 0 | 113.5 | | |
| 593 | N | 29.8 | Very low | 33.9 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -117.8 | 150.9 | -169.2 | -103 | -64.7 | 0 | 0 | 0 | 112.4 | | |
| 594 | K | 34.2 | Very low | 34 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | 58.8 | 132.7 | 150.1 | -64.4 | 176.7 | 177.1 | -174.1 | 0 | 121 | | |
| 595 | V | 30.6 | Very low | 33.9 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -141.6 | 148.4 | 148.4 | 179 | 0 | 0 | 0 | 0 | 109.5 | | |
| 596 | L | 36 | Very low | 34.3 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -129.8 | 149.5 | 165.7 | -82.4 | 168.3 | 0 | 0 | 0 | 108.3 | | |
| 597 | P | 43.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | | -143.8 | 140.1 | 128.7 | 27.1 | -6.7 | 0 | 0 | 0 | 113.7 | | |
| 598 | V | 33.8 | Very low | 35 | Very low | 131 Ų | 131 | 149 Ų | 149 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | | 75.3 | 120.5 | 90.8 | 178.8 | 0 | 0 | 0 | 0 | 115 | | |
| 599 | D | 37 | Very low | 35.6 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | | -173.2 | 174.6 | 110.2 | -137.5 | -78.4 | 0 | 0 | 0 | 112.4 | | |
| 600 | D | 38.3 | Very low | 35.9 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -86.3 | 154 | -166.9 | -77 | -50.4 | 0 | 0 | 0 | 114.8 | | |
| 601 | G | 32.4 | Very low | 36.5 | Very low | 78 Ų | 78 | 148.6 Ų | 148.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | | 82.2 | 123.7 | 83.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 602 | R | 31.3 | Very low | 36 | Very low | 252 Ų | 252 | 145.2 Ų | 145.2 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | | | cis | -162.7 | 161.4 | 24.3 | -178.3 | -178 | -171.7 | -127.9 | 6.6 | 110.2 | | |
| 603 | S | 34.6 | Very low | 36 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | | | trans | 102.7 | 113.5 | 167.9 | -157.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 604 | N | 33.1 | Very low | 36.4 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 26.3 | 120.4 | 152.8 | -49.9 | -16.9 | 0 | 0 | 0 | 118.3 | | |
| 605 | H | 32.5 | Very low | 36.5 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | | | cis | -149.3 | 127.2 | 40.8 | -150 | -101 | 0 | 0 | 0 | 109.6 | | |
| 606 | V | 41.2 | Very low | 36.6 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -76.7 | 145.8 | -153.6 | -172.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 607 | K | 40.3 | Very low | 36.5 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -155.8 | 158.2 | -163.7 | -151.1 | 179.5 | -174.3 | 177.5 | 0 | 113.6 | | |
| 608 | V | 39.8 | Very low | 36.2 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | | | trans | 82.9 | 102.6 | 160.9 | -167.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 609 | S | 39.6 | Very low | 36 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | | | | 44.5 | 139.7 | 118.9 | -147.4 | 0 | 0 | 0 | 0 | 126 | | |
| 610 | N | 36.5 | Very low | 35.7 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | 83.1 | 115.7 | 141.4 | -88.6 | -23.3 | 0 | 0 | 0 | 124.4 | | |
| 611 | K | 40.6 | Very low | 35.3 | Very low | 208 Ų | 208 | 137.5 Ų | 137.5 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | | | trans | 43.7 | 114.4 | 141.3 | -78.1 | -178 | 171.4 | 177.7 | 0 | 121.1 | | |
| 612 | G | 31.1 | Very low | 35.2 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -175.8 | 146.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 613 | S | 39.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -91.6 | 153.1 | -167.4 | -58.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 614 | S | 39.5 | Very low | 35.3 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 75.8 | 130.9 | 137.3 | 60.8 | 0 | 0 | 0 | 0 | 123.8 | | |
| 615 | S | 36.5 | Very low | 35.3 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | 74.3 | 140.8 | 148.8 | 74.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 616 | G | 31.6 | Very low | 35.3 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | 151.2 | 64.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 617 | L | 35 | Very low | 34.8 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | 31.3 | 124.1 | 148.1 | -59.4 | 173.9 | 0 | 0 | 0 | 123.1 | | |
| 618 | K | 35.8 | Very low | 34.4 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | | 71 | 118.1 | 128.4 | -68.3 | 178.8 | 177.5 | 177.1 | 0 | 122.9 | | |
| 619 | N | 30.4 | Very low | 34.3 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | | 101.8 | 111 | 125.2 | -70.2 | 11.6 | 0 | 0 | 0 | 123.6 | | |
| 620 | I | 31.3 | Very low | 35.5 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | trans | 76.1 | 109.1 | 133.7 | -53.7 | 164.1 | 0 | 0 | 0 | 120.5 | | |
| 621 | S | 28.6 | Very low | 35.1 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | 159.4 | 113.8 | 133.8 | -71.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 622 | A | 30.6 | Very low | 34.8 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | | 61.9 | 100.1 | 89.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 623 | S | 35 | Very low | 35.1 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | | 74.9 | 122.7 | 69.3 | -62 | 0 | 0 | 0 | 0 | 114.9 | | |
| 624 | T | 33.3 | Very low | 35.8 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | -168.3 | 157.6 | 161.8 | -80.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 625 | L | 32.4 | Very low | 35.4 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | 105.7 | 124.2 | 175.7 | -63.6 | 178.1 | 0 | 0 | 0 | 112.5 | | |
| 626 | L | 32.4 | Very low | 35.3 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | cis | -144.8 | 176.9 | -2.8 | -79.9 | 119.3 | 0 | 0 | 0 | 107.9 | | |
| 627 | A | 31.8 | Very low | 35.4 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | cis | -176.4 | 140.4 | -40.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 628 | G | 31.7 | Very low | 35.3 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | 80.6 | 157.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 629 | V | 37 | Very low | 35.1 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | cis | -165.5 | 157.7 | -22.7 | 114.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 630 | P | 64.1 | Low | 35.1 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | | | trans | -119.2 | 177.9 | -151.7 | 43.6 | -36.1 | 0 | 0 | 0 | 117.1 | | |
| 631 | D | 28.2 | Very low | 35.1 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | | -169 | 164.1 | 123.9 | -121 | -3.7 | 0 | 0 | 0 | 120 | | |
| 632 | K | 35 | Very low | 35.3 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 68% | 0.683 | 77% | 0.766 | S | S | * | * | | | trans | 12.5 | 126.8 | 161.1 | -45.8 | -55.4 | 157.2 | 140.3 | 0 | 121.2 | | |
| 633 | Q | 36.9 | Very low | 35.5 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | | 78.8 | 164 | 69.8 | -87.7 | -156.2 | -8.3 | 0 | 0 | 116.9 | | |
| 634 | P | 55 | Low | 35.4 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | | | cis | -145.1 | 168.6 | -48.4 | 41.6 | -24.5 | 0 | 0 | 0 | 116.1 | | |
| 635 | R | 30.4 | Very low | 35.4 | Very low | 241 Ų | 241 | 134.4 Ų | 134.4 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | | | trans | -180 | 137.5 | 141.1 | -112.4 | 177.9 | 177.7 | -174.9 | -0.5 | 117.2 | | |
| 636 | S | 34.2 | Very low | 35.3 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | 62.8 | 148.5 | 140.7 | -124 | 0 | 0 | 0 | 0 | 121.4 | | |
| 637 | T | 33.7 | Very low | 35.5 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | cis | -157.6 | 149.3 | 4.6 | -26.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 638 | Q | 33.1 | Very low | 35.5 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | | | trans | 69.5 | 141 | 141.3 | -93.7 | 173.4 | 9.1 | 0 | 0 | 126 | | |
| 639 | I | 31.6 | Very low | 35.5 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | | | trans | 65.2 | 138.3 | 145.3 | -63.5 | 160.6 | 0 | 0 | 0 | 118.8 | | |
| 640 | S | 31 | Very low | 35.3 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | cis | 128.7 | 147.4 | -11.3 | -166.2 | 0 | 0 | 0 | 0 | 115 | | |
| 641 | V | 31.6 | Very low | 33.9 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | 69.5 | 112.1 | 168.1 | -142.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 642 | R | 33.1 | Very low | 34 | Very low | 237 Ų | 237 | 139.3 Ų | 139.3 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | | | | 175.3 | 135.5 | 105.3 | -93.4 | -173.9 | 177.2 | -172.5 | -1.7 | 115.9 | | |
| 643 | S | 34.3 | Very low | 33.9 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -79.6 | 172.7 | 162.4 | -41.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 644 | G | 33.3 | Very low | 33.9 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | | | cis | 100.4 | 114.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 645 | V | 32.2 | Very low | 33 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | trans | -160.3 | 133.4 | -177.6 | 135.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 646 | L | 31.2 | Very low | 33 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | trans | 45.9 | 158.7 | 152.6 | -81.9 | 57.3 | 0 | 0 | 0 | 122.7 | | |
| 647 | K | 36 | Very low | 33 | Very low | 158 Ų | 158 | 136 Ų | 136 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | | | cis | -176.5 | 159.5 | -33.2 | -120.2 | -169.5 | -172.5 | -179.4 | 0 | 110.1 | | |
| 648 | Q | 31.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | trans | 68.9 | 153.7 | 152.8 | -68.7 | 168.4 | -68.3 | 0 | 0 | 117.7 | | |
| 649 | H | 31.6 | Very low | 33.6 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | | | cis | -164.2 | 157.6 | -6.3 | -115.3 | -36.3 | 0 | 0 | 0 | 113.7 | | |
| 650 | H | 33.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 56% | 0.556 | 74% | 0.736 | S | S | * | * | | | trans | 68.3 | 124.7 | 143 | -71.7 | -58.1 | 0 | 0 | 0 | 126 | | |
| 651 | H | 33.4 | Very low | 33.6 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 74% | 0.736 | S | S | * | * | | | trans | 56.6 | 165.8 | 146.4 | -52.4 | -55.3 | 0 | 0 | 0 | 119.9 | | |
| 652 | G | 31.3 | Very low | 33.5 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | cis | 170.9 | 167.6 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 653 | N | 32.5 | Very low | 33.2 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | | | cis | -148.2 | -93.7 | -7.3 | -158.8 | 66.3 | 0 | 0 | 0 | 114.8 | | |
| 654 | H | 37.9 | Very low | 33.2 | Very low | 141 Ų | 141 | 136 Ų | 136 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | | | trans | -151.9 | 170.9 | -166.6 | -70.2 | -21.1 | 0 | 0 | 0 | 115.8 | | |
| 655 | H | 35.2 | Very low | 33 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | | | trans | 77.6 | 152.3 | 155.9 | -58.7 | -47.1 | 0 | 0 | 0 | 118.2 | | |
| 656 | S | 31.1 | Very low | 33 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 57% | 0.566 | 74% | 0.741 | S | S | * | * | | | cis | -171.7 | -179.9 | -15.5 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 657 | H | 34.4 | Very low | 33 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | | | trans | 89.5 | 119.3 | 160.5 | -55.4 | -73.6 | 0 | 0 | 0 | 121 | | |
| 658 | H | 39.8 | Very low | 32.9 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | trans | -101.2 | 151.3 | 154.4 | -142.7 | -51.4 | 0 | 0 | 0 | 107.9 | | |
| 659 | P | 38.7 | Very low | 33.2 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | trans | -117.7 | 165.2 | 150.4 | 35.1 | -27.5 | 0 | 0 | 0 | 112.1 | | |
| 660 | H | 36.1 | Very low | 33.6 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | | | trans | -122.5 | 164.1 | 176 | -63.3 | -89.1 | 0 | 0 | 0 | 110.3 | | |
| 661 | G | 27.7 | Very low | 33.8 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 163.4 | 108.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 662 | C | 29.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 46.9 | 149.9 | 145.5 | -57.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 663 | E | 25.8 | Very low | 33.8 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | cis | -150.6 | -176.5 | -4.2 | -132.5 | 171.6 | 172 | 0 | 0 | 111.6 | | |
| 664 | Q | 33.6 | Very low | 33.9 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -91.2 | 151.8 | -169.2 | -54.3 | 174.8 | 14.4 | 0 | 0 | 113.7 | | |
| 665 | F | 29.1 | Very low | 33.7 | Very low | 214 Ų | 214 | 153.1 Ų | 153.1 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | | | trans | -150.2 | 164.9 | 136.9 | -97.4 | -65 | 0 | 0 | 0 | 111.5 | | |
| 666 | I | 33.8 | Very low | 33.4 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -116 | -179.9 | -159.8 | -64.7 | 167.4 | 0 | 0 | 0 | 110.5 | | |
| 667 | V | 30 | Very low | 33.8 | Very low | 131 Ų | 131 | 154.7 Ų | 154.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | 78.4 | 140 | 177.3 | -149.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 668 | V | 35.3 | Very low | 33.9 | Very low | 137 Ų | 137 | 156.6 Ų | 156.6 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | cis | -137 | 162.3 | 36.1 | -173.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 669 | A | 36.9 | Very low | 33.8 | Very low | 90 Ų | 90 | 160.4 Ų | 160.4 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 167.7 | -172 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 670 | K | 39.3 | Very low | 34 | Very low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 130.7 | 171.9 | -60.7 | 173 | 179.6 | 173.8 | 0 | 113.5 | | |
| 671 | P | 38 | Very low | 34 | Very low | 119 Ų | 119 | 160.4 Ų | 160.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 127 | 144.2 | 33.3 | -25.7 | 0 | 0 | 0 | 109.2 | | |
| 672 | K | 32.8 | Very low | 34.8 | Very low | 192 Ų | 192 | 168.4 Ų | 168.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | | 68.5 | 109.2 | 55.2 | -72.1 | -169.6 | 174.6 | 177.5 | 0 | 115 | | |
| 673 | Y | 33.2 | Very low | 35.1 | Very low | 219 Ų | 219 | 166.8 Ų | 166.8 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | | | trans | 69.7 | 156.9 | 163.5 | -99.1 | -130.1 | 0 | 0 | 0 | 115 | | |
| 674 | K | 33.1 | Very low | 35.7 | Very low | 165 Ų | 165 | 165.7 Ų | 165.7 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | cis | -157.1 | 145.5 | 15.8 | -167.2 | 176.1 | 177 | -174.9 | 0 | 111.6 | | |
| 675 | R | 33.5 | Very low | 36.1 | Very low | 193 Ų | 193 | 165.9 Ų | 165.9 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | | | trans | 39.1 | 129.3 | 156.7 | -83.1 | -175.9 | 151.8 | 79.9 | -4.5 | 122.2 | | |
| 676 | N | 30.6 | Very low | 36.5 | Very low | 120 Ų | 120 | 164.7 Ų | 164.7 | 64% | 0.642 | 81% | 0.808 | S | S | * | * | | | | 47 | 125.2 | 127.3 | -52.5 | 21 | 0 | 0 | 0 | 121.1 | | |
| 677 | D | 39.8 | Very low | 37.1 | Very low | 168 Ų | 168 | 163.9 Ų | 163.9 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | | -148.5 | 142.4 | 124.6 | -104 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 678 | Y | 34.8 | Very low | 37.8 | Very low | 217 Ų | 217 | 163.6 Ų | 163.6 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 134.4 | 174.2 | -81.8 | -100.1 | 0 | 0 | 0 | 109.8 | | |
| 679 | R | 38.7 | Very low | 37.4 | Very low | 238 Ų | 238 | 163.1 Ų | 163.1 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 143.9 | 167.8 | -75.3 | -171.1 | 179.7 | -105.3 | 2.4 | 111.2 | | |
| 680 | P | 42.8 | Very low | 37.7 | Very low | 123 Ų | 123 | 167.2 Ų | 167.2 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 158.3 | 179.5 | -17.2 | 31.9 | 0 | 0 | 0 | 113.6 | | |
| 681 | L | 36.6 | Very low | 37.6 | Very low | 173 Ų | 173 | 161 Ų | 161 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 148 | 168.8 | -68.7 | 163.6 | 0 | 0 | 0 | 111.1 | | |
| 682 | R | 44 | Very low | 37.4 | Very low | 237 Ų | 237 | 162.3 Ų | 162.3 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 144 | 165.6 | -57.8 | -164.4 | -143.7 | -154.1 | 9.6 | 110 | | |
| 683 | A | 36.4 | Very low | 37.5 | Very low | 88 Ų | 88 | 160.4 Ų | 160.4 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -82.7 | -161.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 684 | I | 38.4 | Very low | 37.8 | Very low | 156 Ų | 156 | 159.9 Ų | 159.9 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | | | trans | 84.6 | 129.2 | -164.2 | -52.7 | 158 | 0 | 0 | 0 | 109.2 | | |
| 685 | M | 41 | Very low | 37.9 | Very low | 163 Ų | 163 | 161.3 Ų | 161.3 | 80% | 0.803 | 83% | 0.83 | S | S | * | * | | | cis | -138 | 145.9 | 24.3 | -152.1 | 134.6 | 59.3 | 0 | 0 | 113.3 | | |
| 686 | E | 36.7 | Very low | 37.7 | Very low | 188 Ų | 188 | 155.4 Ų | 155.4 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | | | trans | -84.7 | 152.4 | 163.9 | -65.3 | 176.9 | 165.8 | 0 | 0 | 110.1 | | |
| 687 | V | 47.8 | Very low | 37.7 | Very low | 123 Ų | 123 | 157.8 Ų | 157.8 | 75% | 0.745 | 84% | 0.836 | S | S | * | * | | | trans | -126.4 | 127.6 | 176.6 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 688 | P | 43.6 | Very low | 37.1 | Very low | 125 Ų | 125 | 162 Ų | 162 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 150.7 | -177.8 | -22.5 | 34.2 | 0 | 0 | 0 | 114.4 | | |
| 689 | C | 28.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 162.1 Ų | 162.1 | 86% | 0.858 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -103 | 127.2 | 171.1 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 690 | D | 42.9 | Very low | 36.8 | Very low | 176 Ų | 176 | 158.7 Ų | 158.7 | 94% | 0.941 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 143.2 | 158.4 | -89 | -49.5 | 0 | 0 | 0 | 110 | | |
| 691 | G | 35.9 | Very low | 36.2 | Very low | 72 Ų | 72 | 164.3 Ų | 164.3 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | | | trans | -124.4 | 152.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 692 | V | 33.7 | Very low | 36 | Very low | 146 Ų | 146 | 165.4 Ų | 165.4 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | | | trans | -136.4 | 128.8 | 168 | -174.1 | 0 | 0 | 0 | 0 | 110 | | |
| 693 | N | 35.2 | Very low | 35.8 | Very low | 152 Ų | 152 | 163.8 Ų | 163.8 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | | | trans | -72.3 | 138.4 | -175.5 | -61.7 | -49 | 0 | 0 | 0 | 113.5 | | |
| 694 | K | 39.2 | Very low | 35.7 | Very low | 208 Ų | 208 | 166.4 Ų | 166.4 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | | | trans | -140.8 | 130.5 | 148.6 | -70.4 | -165.3 | 176.8 | 178.4 | 0 | 111.3 | | |
| 695 | H | 35.5 | Very low | 35.5 | Very low | 195 Ų | 195 | 165.2 Ų | 165.2 | 90% | 0.903 | 84% | 0.836 | S | S | * | * | | | trans | -86.6 | 132.7 | -178.4 | -90.7 | -81.8 | 0 | 0 | 0 | 113.3 | | |
| 696 | G | 29.2 | Very low | 35 | Very low | 69 Ų | 69 | 169.2 Ų | 169.2 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | | | | 81.1 | 175.7 | 120.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 697 | Q | 30.6 | Very low | 34.7 | Very low | 170 Ų | 170 | 166.3 Ų | 166.3 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | | | trans | 58.9 | 87.9 | 163.7 | -64.3 | -70.6 | -1.8 | 0 | 0 | 118.4 | | |
| 698 | W | 28.4 | Very low | 33.8 | Very low | 257 Ų | 257 | 166 Ų | 166 | 97% | 0.973 | 84% | 0.836 | S | S | * | * | | | trans | -131.6 | 87.8 | 151.6 | -110.8 | 74.4 | 0 | 0 | 0 | 112.4 | | |
| 699 | R | 36.4 | Very low | 33.2 | Very low | 219 Ų | 219 | 164.9 Ų | 164.9 | 83% | 0.826 | 84% | 0.838 | S | S | * | * | | | trans | -144.6 | 140.4 | 167.5 | -85 | -74.9 | -158.3 | -105.9 | 5 | 108.2 | | |
| 700 | Q | 29.3 | Very low | 33.4 | Very low | 166 Ų | 166 | 163.1 Ų | 163.1 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | | | trans | 61 | 103 | 160.4 | -63.6 | -69.3 | -2.1 | 0 | 0 | 119.8 | | |
| 701 | R | 30.7 | Very low | 32.8 | Very low | 240 Ų | 240 | 164 Ų | 164 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | | | | -177.1 | 134.1 | 127.3 | -93.6 | 147.8 | -169.3 | -130.4 | 2.3 | 107.8 | | |
| 702 | K | 32.7 | Very low | 32.6 | Very low | 197 Ų | 197 | 167.1 Ų | 167.1 | 86% | 0.857 | 83% | 0.832 | S | S | * | * | | | cis | 111.3 | 121.4 | 30.7 | -168.4 | 172.7 | -170.9 | 179.5 | 0 | 109.1 | | |
| 703 | K | 40.6 | Very low | 32.2 | Very low | 202 Ų | 202 | 170.8 Ų | 170.8 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | | | trans | -69.4 | 150.1 | -169.5 | -55.8 | 174.7 | 179.6 | 179.4 | 0 | 113.4 | | |
| 704 | V | 33.9 | Very low | 32.6 | Very low | 143 Ų | 143 | 168.6 Ų | 168.6 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | | | trans | -140.1 | 145.7 | 153.2 | -178.4 | 0 | 0 | 0 | 0 | 110 | | |
| 705 | L | 34.5 | Very low | 31.9 | Very low | 131 Ų | 131 | 165.1 Ų | 165.1 | 69% | 0.686 | 82% | 0.822 | S | S | * | * | | | trans | -57.6 | 158.8 | -176.8 | -89.3 | 51 | 0 | 0 | 0 | 116.3 | N707 | L705-N707 WeakPolarHBondContact CG-OD1 3.35Š|
| 706 | R | 29.4 | Very low | 31.6 | Very low | 247 Ų | 247 | 161.5 Ų | 161.5 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | | | | -141.6 | 139.3 | 127.5 | -151.4 | 179.1 | -63.9 | -160.9 | 3.3 | 109.4 | | |
| 707 | N | 30.2 | Very low | 31.5 | Very low | 127 Ų | 127 | 162 Ų | 162 | 68% | 0.679 | 82% | 0.824 | S | S | * | * | | | trans | -117.3 | 145.6 | -173 | -58.9 | -14.9 | 0 | 0 | 0 | 111.1 | L705 | L705-N707 WeakPolarHBondContact CG-OD1 3.35Š|
| 708 | S | 29.8 | Very low | 31.4 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -166.4 | 122.8 | 151.7 | 53.3 | 0 | 0 | 0 | 0 | 113 | | |
| 709 | A | 30.5 | Very low | 31.5 | Very low | 102 Ų | 102 | 153.2 Ų | 153.2 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | 12.9 | 153.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 710 | A | 31.8 | Very low | 31.1 | Very low | 90 Ų | 90 | 151.3 Ų | 151.3 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | | | cis | -176.4 | 174.6 | -15.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 711 | K | 31.3 | Very low | 31 | Very low | 195 Ų | 195 | 149.3 Ų | 149.3 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | 87.2 | 130.8 | 160.9 | -67.5 | -172.9 | 172.6 | -178.4 | 0 | 120.9 | | |
| 712 | T | 32.3 | Very low | 30.9 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | 64.7 | 104.7 | 148.7 | 42.2 | 0 | 0 | 0 | 0 | 122 | | |
| 713 | Y | 24.8 | Very low | 30.8 | Very low | 223 Ų | 223 | 142.4 Ų | 142.4 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | | | trans | -64.3 | 180 | 147.1 | -67.7 | -76.5 | 0 | 0 | 0 | 113.4 | | |
| 714 | P | 42.5 | Very low | 30.2 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | | | cis | -133.9 | -169.1 | -12.7 | 25 | -0.3 | 0 | 0 | 0 | 114.6 | | |
| 715 | T | 26.4 | Very low | 30.1 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | | | trans | 91.1 | 154.3 | 145.4 | -51.9 | 0 | 0 | 0 | 0 | 119 | | |
| 716 | S | 28.3 | Very low | 30 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | 86.5 | 111.9 | 174.2 | -153.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 717 | G | 28 | Very low | 30.3 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | trans | -95.2 | -172.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 718 | G | 28.5 | Very low | 30.5 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | 147.8 | 134.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 719 | Q | 29.1 | Very low | 30.7 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | 57.6 | 113.3 | 155.4 | -74 | 156.7 | -34.2 | 0 | 0 | 118 | | |
| 720 | Q | 28.1 | Very low | 31.1 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | | 63.2 | 122.6 | 84.6 | -71.9 | -168.8 | 40.6 | 0 | 0 | 114.7 | | |
| 721 | C | 27.2 | Very low | 31.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | | -158.7 | 157.5 | 99.8 | -148 | 0 | 0 | 0 | 0 | 111.8 | | |
| 722 | S | 29.1 | Very low | 32.4 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | | | trans | -84.7 | 154.9 | 163.7 | -179 | 0 | 0 | 0 | 0 | 109.4 | | |
| 723 | Q | 30.1 | Very low | 32.9 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | -126.3 | 113.8 | -179.4 | -154.3 | 167.2 | 17.9 | 0 | 0 | 111 | | |
| 724 | Y | 28.9 | Very low | 33.7 | Very low | 210 Ų | 210 | 135.1 Ų | 135.1 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -124.5 | 156.5 | 177.1 | -115.5 | -86 | 0 | 0 | 0 | 108.7 | | |
| 725 | S | 30.5 | Very low | 34.1 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | 72.4 | 153.8 | 165.8 | 91.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 726 | N | 32.7 | Very low | 34.8 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | cis | -152.6 | 161.5 | -3.3 | -130.5 | -8.8 | 0 | 0 | 0 | 115 | | |
| 727 | V | 37 | Very low | 35.4 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -45.4 | 142.9 | 170.8 | 177.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 728 | A | 34.2 | Very low | 36 | Very low | 103 Ų | 103 | 136 Ų | 136 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | | 168.8 | 138.2 | 126.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 729 | G | 32.7 | Very low | 36.7 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 152.6 | 125 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 730 | S | 40.7 | Very low | 37.5 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -156.1 | 130.1 | -173 | -53.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 731 | D | 42.8 | Very low | 38.8 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | trans | -150.5 | 120.4 | 164.1 | 32.7 | 4.2 | 0 | 0 | 0 | 107.1 | | |
| 732 | S | 47.6 | Very low | 39.8 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | | 60.1 | 122.9 | 85.3 | -155.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 733 | E | 41.6 | Very low | 40.4 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | | | cis | -141.7 | -149.3 | 46.1 | -67.4 | -176.4 | 162.1 | 0 | 0 | 114.9 | | |
| 734 | Y | 42.3 | Very low | 40.9 | Very low | 218 Ų | 218 | 135.3 Ų | 135.3 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -118.4 | 135.4 | -140.3 | -163.5 | -114.3 | 0 | 0 | 0 | 116.4 | | |
| 735 | S | 51.1 | Low | 41.8 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 50% | 0.497 | 78% | 0.777 | S | S | . | * | | | trans | 42.4 | 123.5 | 150.3 | -60.5 | 0 | 0 | 0 | 0 | 123 | | |
| 736 | A | 40.3 | Very low | 42.4 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -151.6 | 48.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C738 | A736-C738 PolarHBondContact O-N 3.43Š|
| 737 | E | 41.4 | Very low | 43.2 | Very low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | -69.7 | 108.5 | -177.6 | 60.4 | -166.2 | 130.8 | 0 | 0 | 113.2 | V739 | E737-V739 PolarHBondContact O-N 3.19Š|
| 738 | C | 40.9 | Very low | 43.1 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 86% | 0.858 | 77% | 0.771 | S | S | * | * | | | trans | -92.7 | 96.1 | 174.8 | -72.4 | 0 | 0 | 0 | 0 | 110.7 | A736 S740 | A736-C738 PolarHBondContact O-N 3.43Å; C738-S740 PolarHBondContact O-N 3.02Å |
| 739 | V | 42.2 | Very low | 43.7 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | -68.7 | 95.8 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | E737 | E737-V739 PolarHBondContact O-N 3.19Š|
| 740 | S | 46.3 | Very low | 44.6 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -94.5 | 96.4 | 154.7 | -158.6 | 0 | 0 | 0 | 0 | 106.3 | C738 | C738-S740 PolarHBondContact O-N 3.02Š|
| 741 | L | 55.1 | Low | 45.1 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 60% | 0.602 | 77% | 0.772 | S | S | * | * | | | | 54.2 | 111.2 | 62.3 | -155.1 | 76.2 | 0 | 0 | 0 | 111.2 | | |
| 742 | F | 49.2 | Very low | 45.3 | Very low | 175 Ų | 175 | 138 Ų | 138 | 77% | 0.768 | 77% | 0.772 | S | S | * | * | | | trans | 72.4 | 68.9 | 178.1 | -49.8 | -62.4 | 0 | 0 | 0 | 118.1 | | |
| 743 | H | 41.2 | Very low | 45.6 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -134.3 | 99.2 | 138.2 | -75 | -65.1 | 0 | 0 | 0 | 109.2 | | |
| 744 | S | 40.4 | Very low | 46.1 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | trans | -128 | 77.7 | 167.2 | -60.9 | 0 | 0 | 0 | 0 | 106.9 | I746 | S744-I746 PolarHBondContact O-N 3.25Š|
| 745 | T | 47.9 | Very low | 46.2 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -78.5 | 98.4 | 169.9 | 42.7 | 0 | 0 | 0 | 0 | 108 | | |
| 746 | I | 43.7 | Very low | 46.1 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | | | trans | -61.3 | 146.5 | 156.3 | 46.9 | 174.7 | 0 | 0 | 0 | 108.8 | S744 D748 | S744-I746 PolarHBondContact O-N 3.25Å; I746-D748 PolarHBondContact O-N 3.06Å |
| 747 | V | 48.8 | Very low | 46.5 | Very low | 130 Ų | 130 | 147 Ų | 147 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | | | trans | -85.3 | 96 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 107.3 | T749 | V747-T749 HydrophobicContact CG1-CG2 4.14Å; V747-T749 PolarHBondContact O-N 3.33Å |
| 748 | D | 35.8 | Very low | 46.9 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | trans | -81.5 | 92.4 | 170.2 | -78.1 | -42.6 | 0 | 0 | 0 | 109.7 | I746 S750 | I746-D748 PolarHBondContact O-N 3.06Å; D748-S750 PolarHBondContact O-N 2.88Å |
| 749 | T | 45.4 | Very low | 47.2 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | | | trans | -77 | 89.2 | 161.2 | 47 | 0 | 0 | 0 | 0 | 108.9 | V747 | V747-T749 HydrophobicContact CG1-CG2 4.14Å; V747-T749 PolarHBondContact O-N 3.33Å |
| 750 | S | 53 | Low | 47.5 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -94.6 | 99.5 | 170.3 | 38 | 0 | 0 | 0 | 0 | 109.9 | D748 | D748-S750 PolarHBondContact O-N 2.88Š|
| 751 | E | 50.1 | Low | 47.8 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -100.4 | -178.9 | 163.4 | -152.3 | 164 | 143.6 | 0 | 0 | 108.7 | | |
| 752 | D | 47.5 | Very low | 47 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | 63 | 72.3 | 180 | -70.9 | -25.3 | 0 | 0 | 0 | 118.1 | R754 | D752-R754 VanDerWaalsContact C-N 3.27Å; D752-R754 PolarHBondContact O-N 2.95Å |
| 753 | D | 54.1 | Low | 46.8 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | | | trans | -89.6 | 51.4 | 164.5 | -152.9 | 3.8 | 0 | 0 | 0 | 111.4 | | |
| 754 | R | 50.8 | Low | 46.7 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -147.7 | 98 | 179.9 | -86.9 | -166.9 | 170.8 | -165.9 | -1.8 | 114.4 | D752 | D752-R754 VanDerWaalsContact C-N 3.27Å; D752-R754 PolarHBondContact O-N 2.95Å |
| 755 | S | 44.8 | Very low | 46.7 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -155.5 | 134.2 | 137.5 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 756 | N | 49.8 | Very low | 46.2 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -103.6 | 128.2 | 179.5 | -84.1 | -57 | 0 | 0 | 0 | 110.8 | | |
| 757 | Y | 48.2 | Very low | 45.9 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | | 40.8 | 93.7 | 127.4 | -156 | -85.8 | 0 | 0 | 0 | 117.7 | T759 | Y757-T759 HydrophobicContact CD1-CG2 4.41Å; Y757-T759 HydrophobicContact CE1-CG2 3.72Å; Y757-T759 WeakPolarHBondContact CE1-OG1 3.38Å; Y757-T759 HydrophobicContact CE2-CG2 4.11Å |
| 758 | T | 49.4 | Very low | 45.6 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -125.6 | 83.9 | 158.9 | 47 | 0 | 0 | 0 | 0 | 110.5 | N760 | T758-N760 PolarHBondContact O-N 3.16Š|
| 759 | T | 48.5 | Very low | 45.7 | Very low | 88 Ų | 88 | 144.7 Ų | 144.7 | 54% | 0.54 | 80% | 0.796 | S | S | . | * | | | trans | -68.6 | 113.2 | 166.8 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | Y757 C761 | Y757-T759 HydrophobicContact CD1-CG2 4.41Å; Y757-T759 HydrophobicContact CE1-CG2 3.72Å; Y757-T759 WeakPolarHBondContact CE1-OG1 3.38Å; Y757-T759 HydrophobicContact CE2-CG2 4.11Å; T759-C761 PolarHBondContact O-N 2.95Å |
| 760 | N | 47 | Very low | 45.2 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -74.4 | 118.2 | 174.8 | -176.8 | 37.7 | 0 | 0 | 0 | 110.7 | T758 F762 | T758-N760 PolarHBondContact O-N 3.16Å; N760-F762 PolarHBondContact O-N 2.83Å |
| 761 | C | 53.8 | Low | 44.6 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | trans | -89.1 | 90.7 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | T759 | T759-C761 PolarHBondContact O-N 2.95Š|
| 762 | F | 38.5 | Very low | 43.9 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | | | trans | -151.8 | 134.4 | 165.9 | -91 | -74.5 | 0 | 0 | 0 | 111.1 | N760 | N760-F762 PolarHBondContact O-N 2.83Š|
| 763 | G | 45.3 | Very low | 43.3 | Very low | 68 Ų | 68 | 148.4 Ų | 148.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | 111.5 | 25.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | S765 | G763-S765 PolarHBondContact O-N 3.02Š|
| 764 | D | 37.8 | Very low | 42.4 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | | | trans | -65.4 | 118.7 | 156 | -70 | -44.9 | 0 | 0 | 0 | 108.3 | | |
| 765 | S | 41.1 | Very low | 41.4 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -142.4 | 113.2 | 171.6 | -70 | 0 | 0 | 0 | 0 | 109.1 | G763 | G763-S765 PolarHBondContact O-N 3.02Š|
| 766 | E | 37.6 | Very low | 40.9 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | | | trans | -67.2 | 142.6 | -179.9 | 59.6 | -119.7 | 73.9 | 0 | 0 | 114.7 | | |
| 767 | S | 37.8 | Very low | 40.2 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -178.9 | 104.7 | 142.7 | -155.5 | 0 | 0 | 0 | 0 | 106.2 | | |
| 768 | S | 41.9 | Very low | 39.4 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | | 36.5 | 106.1 | 76.9 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 769 | E | 36.8 | Very low | 38.6 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | | 113.3 | -175 | 75.6 | -173.3 | 160.3 | 166.5 | 0 | 0 | 107.5 | | |
| 770 | E | 36 | Very low | 38 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | 82.8 | 119.6 | 172 | 93.1 | -171.8 | 171.5 | 0 | 0 | 119.7 | | |
| 771 | E | 39.5 | Very low | 37.3 | Very low | 169 Ų | 169 | 143 Ų | 143 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -111.7 | 112.8 | -177.5 | 166.6 | -167.9 | 168.1 | 0 | 0 | 108 | | |
| 772 | Y | 35.5 | Very low | 36.6 | Very low | 205 Ų | 205 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -144.2 | 120.6 | 161.5 | -73.5 | -78.2 | 0 | 0 | 0 | 107.3 | | |
| 773 | V | 35.1 | Very low | 37.3 | Very low | 109 Ų | 109 | 142 Ų | 142 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | | 73 | 89.9 | 64.1 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 774 | E | 35.3 | Very low | 36.7 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | | 61.3 | 153.1 | 128.5 | -143.7 | 164.1 | -168.9 | 0 | 0 | 122.3 | | |
| 775 | E | 30.2 | Very low | 36.7 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | 66.4 | 145 | 172.6 | -55.4 | -149.1 | 125.1 | 0 | 0 | 118.1 | | |
| 776 | N | 34.7 | Very low | 36.4 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 64% | 0.642 | 78% | 0.782 | S | S | * | * | | | cis | -164.9 | 150.1 | -20.5 | -105.8 | -24 | 0 | 0 | 0 | 109.2 | | |
| 777 | T | 34.3 | Very low | 36.2 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 165 | 121.9 | 132.3 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 778 | T | 31.1 | Very low | 35.9 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | 53 | 140.4 | 137.5 | 65.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 779 | T | 32 | Very low | 35.5 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | | | cis | -162.5 | 157.4 | -7.2 | 13.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 780 | T | 36.5 | Very low | 36 | Very low | 135 Ų | 135 | 138 Ų | 138 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | | | trans | -85 | 154.6 | 174.3 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 781 | D | 31.9 | Very low | 35.9 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | trans | -128.4 | 154.5 | 167 | -171.5 | 24.8 | 0 | 0 | 0 | 110.3 | | |
| 782 | T | 39 | Very low | 35.6 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 60% | 0.595 | 80% | 0.8 | S | S | * | * | | | trans | -147 | 161.8 | -156 | -25.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 783 | E | 53.9 | Low | 35.6 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | 43 | 126.8 | 153.3 | 73.8 | -158.2 | 151.4 | 0 | 0 | 122.5 | | |
| 784 | E | 33.8 | Very low | 35.5 | Very low | 204 Ų | 204 | 123 Ų | 123 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | | | trans | -140.2 | 141 | 150.1 | -164.7 | -173.9 | 99.6 | 0 | 0 | 109.9 | | |
| 785 | S | 37.6 | Very low | 35.4 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | trans | -155.4 | 128.9 | -173.5 | -170.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 786 | V | 35 | Very low | 35.8 | Very low | 148 Ų | 148 | 117.7 Ų | 117.7 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | | | trans | 72.9 | 134.3 | 157.7 | 172.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 787 | G | 32.4 | Very low | 35.7 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | | | trans | 111.6 | 143.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 788 | G | 31.9 | Very low | 35.9 | Very low | 80 Ų | 80 | 116.8 Ų | 116.8 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | | | cis | 178.2 | 153.5 | -5.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 789 | G | 33 | Very low | 35.9 | Very low | 78 Ų | 78 | 114.7 Ų | 114.7 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | | | trans | -85.7 | -167.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 790 | P | 46.8 | Very low | 35.9 | Very low | 138 Ų | 138 | 119.6 Ų | 119.6 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | | | cis | -141.2 | -177.4 | 4.4 | 43.1 | -24.9 | 0 | 0 | 0 | 116.5 | | |
| 791 | G | 34.2 | Very low | 35.6 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | | | trans | 85.1 | 159.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 792 | G | 33.5 | Very low | 35.5 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 87% | 0.866 | 85% | 0.853 | S | S | * | * | | | cis | 170.4 | 146 | -11.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 793 | G | 34.9 | Very low | 35 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 87% | 0.866 | 86% | 0.858 | S | S | * | * | | | trans | 101.4 | 108.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 794 | G | 33.6 | Very low | 34.3 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 92% | 0.918 | 86% | 0.857 | S | S | * | * | | | trans | 43.5 | 127.4 | 137.6 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 795 | G | 32.7 | Very low | 34.2 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 88% | 0.876 | 84% | 0.843 | S | S | * | * | | | trans | 177.9 | 139.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 796 | S | 38.3 | Very low | 34 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 97% | 0.965 | 84% | 0.838 | S | S | * | * | | | trans | -132.5 | 140.6 | 179 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 797 | G | 33 | Very low | 33.9 | Very low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | | | trans | 168.7 | 145.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 798 | T | 39.9 | Very low | 33.9 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | | | trans | -95.6 | 136.2 | -178.9 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 799 | G | 30.4 | Very low | 33.7 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -164.7 | 151.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 800 | R | 30.6 | Very low | 33.6 | Very low | 238 Ų | 238 | 128 Ų | 128 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | -81.8 | 137.3 | 171.6 | -61.6 | 176.2 | 177.9 | -135.6 | 1.3 | 109.4 | | |
| 801 | H | 31.9 | Very low | 33 | Very low | 195 Ų | 195 | 126.9 Ų | 126.9 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | | | | -175.2 | -177.2 | 123.2 | -110.5 | -111.3 | 0 | 0 | 0 | 111.9 | | |
| 802 | R | 29.8 | Very low | 32.9 | Very low | 241 Ų | 241 | 129.6 Ų | 129.6 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -109 | 140.9 | -161.9 | -174.3 | -170.7 | -165.6 | -132.5 | 11.4 | 112.5 | | |
| 803 | G | 28.2 | Very low | 32.8 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | trans | 93.8 | 105.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 804 | Q | 37.8 | Very low | 32.5 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | cis | 71.1 | 138.7 | 40.8 | -153.7 | -155.5 | 61.4 | 0 | 0 | 113.2 | | |
| 805 | L | 33.6 | Very low | 32.3 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | 73.9 | 158.5 | -179 | -48.5 | 137.7 | 0 | 0 | 0 | 112.2 | | |
| 806 | R | 33.4 | Very low | 32.3 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 62% | 0.623 | 78% | 0.784 | S | S | * | * | | | cis | -134.3 | -168.4 | 13.9 | -116.3 | 114.2 | -164.8 | -147.9 | 2.6 | 109.7 | R809 | R806-R809 HydrophobicContact CG-CG 4.34Š|
| 807 | T | 32.3 | Very low | 32.2 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | S | Bend | cis | -154.5 | 161.9 | 22.3 | -20.5 | 0 | 0 | 0 | 0 | 107.7 | R809 | T807-R809 HydrophobicContact CG2-CG 4.37Š|
| 808 | A | 31.5 | Very low | 32.1 | Very low | 83 Ų | 83 | 145.9 Ų | 145.9 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | | | cis | -133.9 | 139.8 | 1.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 809 | R | 29 | Very low | 32.3 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 58% | 0.581 | 77% | 0.769 | S | S | * | * | | | | 65.5 | 152.8 | 63.2 | -57.3 | -178.3 | -159.7 | -175.9 | 9.2 | 112.6 | R806 T807 | R806-R809 HydrophobicContact CG-CG 4.34Å; T807-R809 HydrophobicContact CG2-CG 4.37Å |
| 810 | V | 30.2 | Very low | 32.9 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | cis | -130.6 | 141.4 | 0.4 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 811 | T | 34.3 | Very low | 33.5 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | cis | 83 | 72.1 | -9.5 | 83.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 812 | V | 31.2 | Very low | 34.3 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | trans | -168.7 | 145 | 146 | 136.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 813 | G | 31.3 | Very low | 35.5 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | | | cis | 176.8 | -159.1 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 814 | K | 30 | Very low | 36.3 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | | | cis | -163.9 | 118 | -16.2 | 173.2 | -167.1 | 173.6 | -171 | 0 | 108.8 | | |
| 815 | L | 29.8 | Very low | 37.1 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | | | trans | -154 | 128.4 | 140 | -165 | 61 | 0 | 0 | 0 | 109.2 | | |
| 816 | E | 30.9 | Very low | 38.4 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | -122.2 | 147 | -177.6 | -176.5 | 175.2 | -161 | 0 | 0 | 108.2 | | |
| 817 | M | 36.8 | Very low | 40.2 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -134.9 | 148 | 178.7 | -91.3 | -69.1 | 146.9 | 0 | 0 | 111.9 | | |
| 818 | D | 30.8 | Very low | 42.3 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | | | trans | -71.5 | 139.9 | -157 | -167.9 | 62.8 | 0 | 0 | 0 | 114.6 | A820 | D818-A820 PolarHBondContact O-N 3.31Å; D818-A820 WeakPolarHBondContact OD2-CB 3.39Å |
| 819 | P | 45.4 | Very low | 44.6 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -81.7 | 44 | -174.8 | 35.1 | -37.2 | 0 | 0 | 0 | 113.8 | | |
| 820 | A | 41.3 | Very low | 47 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 61% | 0.612 | 75% | 0.752 | S | S | * | * | | | trans | -106.5 | 11.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D818 | D818-A820 PolarHBondContact O-N 3.31Å; D818-A820 WeakPolarHBondContact OD2-CB 3.39Å |
| 821 | Q | 44.7 | Very low | 49.6 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | trans | -133.9 | 89.9 | 169.8 | -70.2 | -168.2 | 3.6 | 0 | 0 | 112.6 | K823 | Q821-K823 HydrophobicContact CB-CG 4.37Å; Q821-K823 PolarHBondContact O-N 2.73Å |
| 822 | S | 47.2 | Very low | 52.2 | Low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | -72.5 | 72.4 | 169.6 | 60 | 0 | 0 | 0 | 0 | 111.2 | T824 | S822-T824 PolarHBondContact O-N 2.78Š|
| 823 | K | 55.3 | Low | 54.9 | Low | 141 Ų | 141 | 137.1 Ų | 137.1 | 61% | 0.613 | 73% | 0.725 | S | S | * | * | | | trans | -54.6 | 121.7 | -178.5 | -68.5 | 175.3 | -177.6 | 177 | 0 | 110.2 | Q821 F825 | Q821-K823 HydrophobicContact CB-CG 4.37Å; Q821-K823 PolarHBondContact O-N 2.73Å; K823-F825 WeakPolarHBondContact O-CD2 3.46Å; K823-F825 PolarHBondContact O-N 2.8Å |
| 824 | T | 45 | Very low | 57.5 | Low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | | | trans | -68.4 | 102.6 | -175.5 | 42.4 | 0 | 0 | 0 | 0 | 110.6 | S822 V826 | S822-T824 PolarHBondContact O-N 2.78Å; T824-V826 VanDerWaalsContact C-N 3.33Å; T824-V826 PolarHBondContact O-N 3.07Å |
| 825 | F | 55.8 | Low | 60.2 | Low | 189 Ų | 189 | 134.5 Ų | 134.5 | 83% | 0.829 | 70% | 0.697 | S | S | * | * | | | trans | -69.2 | 84.5 | -178.4 | -68.9 | -75.6 | 0 | 0 | 0 | 112.1 | K823 K827 | K823-F825 WeakPolarHBondContact O-CD2 3.46Å; K823-F825 PolarHBondContact O-N 2.8Å; F825-K827 PolarHBondContact O-N 3.26Å |
| 826 | V | 59.6 | Low | 62.8 | Low | 116 Ų | 116 | 133.5 Ų | 133.5 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | | | trans | -61.6 | 103.5 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | T824 I828 | T824-V826 VanDerWaalsContact C-N 3.33Å; T824-V826 PolarHBondContact O-N 3.07Å; V826-I828 VanDerWaalsContact C-N 3.27Å; V826-I828 HydrophobicContact CG1-CG1 4Å; V826-I828 PolarHBondContact O-N 2.8Å |
| 827 | K | 72.8 | Confident | 65.3 | Low | 196 Ų | 196 | 131.7 Ų | 131.7 | 85% | 0.852 | 67% | 0.671 | S | S | * | * | | | trans | -76 | 76.1 | 177.9 | -74.5 | 177.6 | 179.4 | 169.3 | 0 | 111 | F825 K829 | F825-K827 PolarHBondContact O-N 3.26Å; K827-K829 PolarHBondContact O-N 3.45Å; K827-K829 VanDerWaalsContact O-N 3.15Å |
| 828 | I | 75 | Confident | 67.4 | Low | 142 Ų | 142 | 127.8 Ų | 127.8 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | | | trans | -58.5 | 116.4 | 174 | -57.3 | 177.2 | 0 | 0 | 0 | 109.4 | V826 A830 | V826-I828 VanDerWaalsContact C-N 3.27Å; V826-I828 HydrophobicContact CG1-CG1 4Å; V826-I828 PolarHBondContact O-N 2.8Å; I828-A830 PolarHBondContact O-N 3.02Å |
| 829 | K | 79.4 | Confident | 69.6 | Low | 210 Ų | 210 | 126 Ų | 126 | 91% | 0.913 | 64% | 0.643 | S | S | * | * | | | trans | -75.6 | 73.2 | 174.1 | -78.7 | 175.9 | 61.7 | -176.3 | 0 | 110.8 | K827 | K827-K829 PolarHBondContact O-N 3.45Å; K827-K829 VanDerWaalsContact O-N 3.15Å |
| 830 | A | 80 | Confident | 71.1 | Confident | 41 Ų | 41 | 128.2 Ų | 128.2 | 34% | 0.339 | 64% | 0.635 | S | S | . | * | | | trans | -57.2 | 145.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I828 L834 | I828-A830 PolarHBondContact O-N 3.02Å; A830-L834 HydrophobicContact CB-CB 4.27Å; A830-L834 HydrophobicContact CB-CD2 3.89Å; A830-L834 HydrophobicContact CB-CG 4.09Å |
| 831 | S | 85.5 | Confident | 72.3 | Confident | 71 Ų | 71 | 132 Ų | 132 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | | | trans | -60.9 | 156.2 | 173.2 | 73.2 | 0 | 0 | 0 | 0 | 111.3 | N833 L834 K835 | S831-N833 PolarHBondContact O-N 2.96Å; S831-L834 PolarHBondContact O-N 3.34Å; S831-L834 VanDerWaalsContact O-N 3.07Å; S831-L834 WeakPolarHBondContact OG-CB 3.49Å; S831-L834 PolarHBondContact OG-N 3.42Å; S831-K835 PolarHBondContact O-N 3.4Å |
| 832 | Y | 88.1 | Confident | 73.4 | Confident | 170 Ų | 170 | 134.2 Ų | 134.2 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -55 | -39.4 | 177.9 | 177.5 | -104.1 | 0 | 0 | 0 | 112.1 | R836 | Y832-R836 WeakPolarHBondContact O-CB 3.42Å; Y832-R836 PolarHBondContact O-N 3.3Å |
| 833 | N | 88.5 | Confident | 73.9 | Confident | 115 Ų | 115 | 134 Ų | 134 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.3 | -42.2 | 176.6 | -72.4 | -20.2 | 0 | 0 | 0 | 112.4 | S831 R836 K837 | S831-N833 PolarHBondContact O-N 2.96Å; N833-R836 CarbonylContact O-C 3.56Å; N833-R836 PolarHBondContact O-N 2.94Å; N833-K837 PolarHBondContact O-N 3.06Å |
| 834 | L | 86.1 | Confident | 74 | Confident | 82 Ų | 82 | 129.9 Ų | 129.9 | 43% | 0.429 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.6 | -45.4 | 176.2 | 179.6 | 57.3 | 0 | 0 | 0 | 111.3 | A830 S831 R836 K837 I838 | A830-L834 HydrophobicContact CB-CB 4.27Å; A830-L834 HydrophobicContact CB-CD2 3.89Å; A830-L834 HydrophobicContact CB-CG 4.09Å; S831-L834 PolarHBondContact O-N 3.34Å; S831-L834 VanDerWaalsContact O-N 3.07Å; S831-L834 WeakPolarHBondContact OG-CB 3.49Å; S831-L834 PolarHBondContact OG-N 3.42Å; L834-R836 VanDerWaalsContact C-N 3.27Å; L834-R836 PolarHBondContact O-N 2.84Å; L834-K837 PolarHBondContact O-N 2.95Å; L834-I838 HydrophobicContact CD1-CD1 3.98Å; L834-I838 HydrophobicContact CD1-CG1 4.23Å; L834-I838 HydrophobicContact CG-CD1 3.94Å; L834-I838 WeakPolarHBondContact O-CG1 3.32Å; L834-I838 PolarHBondContact O-N 2.7Å |
| 835 | K | 87.1 | Confident | 74.5 | Confident | 127 Ų | 127 | 129.2 Ų | 129.2 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57.8 | -39.7 | 173.2 | -173.5 | 176.3 | 179.1 | 179.2 | 0 | 111.6 | S831 L839 | S831-K835 PolarHBondContact O-N 3.4Å; K835-L839 HydrophobicContact CG-CD1 3.96Å; K835-L839 HydrophobicContact CG-CG 4.49Å; K835-L839 WeakPolarHBondContact O-CB 3.4Å; K835-L839 VanDerWaalsContact O-CG 3.3Å; K835-L839 WeakPolarHBondContact O-CG 3.22Å; K835-L839 PolarHBondContact O-N 2.77Å |
| 836 | R | 83.1 | Confident | 74.5 | Confident | 141 Ų | 141 | 126.8 Ų | 126.8 | 53% | 0.532 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77.9 | -12.8 | 176.5 | -163 | 178.8 | -175.5 | -145.9 | 1.7 | 114 | Y832 N833 L834 R840 | Y832-R836 WeakPolarHBondContact O-CB 3.42Å; Y832-R836 PolarHBondContact O-N 3.3Å; N833-R836 CarbonylContact O-C 3.56Å; N833-R836 PolarHBondContact O-N 2.94Å; L834-R836 VanDerWaalsContact C-N 3.27Å; L834-R836 PolarHBondContact O-N 2.84Å; R836-R840 WeakPolarHBondContact O-CG 3.24Å; R836-R840 PolarHBondContact O-NE 2.75Å |
| 837 | K | 84.3 | Confident | 74.6 | Confident | 136 Ų | 136 | 130 Ų | 130 | 59% | 0.591 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.3 | -56.7 | 163.4 | -78 | -172.1 | 175.5 | -172.5 | 0 | 109.3 | N833 L834 L839 R840 F841 | N833-K837 PolarHBondContact O-N 3.06Å; L834-K837 PolarHBondContact O-N 2.95Å; K837-L839 VanDerWaalsContact C-N 3.31Å; K837-L839 PolarHBondContact O-N 3.38Å; K837-R840 WeakPolarHBondContact O-CB 3.34Å; K837-R840 PolarHBondContact O-N 2.66Å; K837-F841 VanDerWaalsContact O-CD2 3.31Å; K837-F841 WeakPolarHBondContact O-CD2 3.46Å |
| 838 | I | 81 | Confident | 73.7 | Confident | 84 Ų | 84 | 127.1 Ų | 127.1 | 43% | 0.431 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -54.7 | -42.9 | -178 | -65.1 | 166.5 | 0 | 0 | 0 | 112.1 | L834 R840 F841 | L834-I838 HydrophobicContact CD1-CD1 3.98Å; L834-I838 HydrophobicContact CD1-CG1 4.23Å; L834-I838 HydrophobicContact CG-CD1 3.94Å; L834-I838 WeakPolarHBondContact O-CG1 3.32Å; L834-I838 PolarHBondContact O-N 2.7Å; I838-R840 PolarHBondContact O-N 3.01Å; I838-F841 PolarHBondContact O-N 3.37Å; I838-F841 VanDerWaalsContact O-N 3.16Å |
| 839 | L | 75.9 | Confident | 72.6 | Confident | 91 Ų | 91 | 127.7 Ų | 127.7 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -64.2 | -21.7 | 179.3 | -76.8 | 169.3 | 0 | 0 | 0 | 114.5 | K835 K837 F841 R842 | K835-L839 HydrophobicContact CG-CD1 3.96Å; K835-L839 HydrophobicContact CG-CG 4.49Å; K835-L839 WeakPolarHBondContact O-CB 3.4Å; K835-L839 VanDerWaalsContact O-CG 3.3Å; K835-L839 WeakPolarHBondContact O-CG 3.22Å; K835-L839 PolarHBondContact O-N 2.77Å; K837-L839 VanDerWaalsContact C-N 3.31Å; K837-L839 PolarHBondContact O-N 3.38Å; L839-F841 VanDerWaalsContact C-N 3.35Å; L839-R842 PolarHBondContact O-N 2.99Å |
| 840 | R | 76.6 | Confident | 71.6 | Confident | 171 Ų | 171 | 123.3 Ų | 123.3 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -70.4 | -34.3 | 174.7 | -61.5 | 177.5 | -147.4 | -166.2 | 5.3 | 111.7 | R836 K837 I838 R842 | R836-R840 WeakPolarHBondContact O-CG 3.24Å; R836-R840 PolarHBondContact O-NE 2.75Å; K837-R840 WeakPolarHBondContact O-CB 3.34Å; K837-R840 PolarHBondContact O-N 2.66Å; I838-R840 PolarHBondContact O-N 3.01Å; R840-R842 VanDerWaalsContact C-N 3.27Å; R840-R842 PolarHBondContact O-N 2.75Å |
| 841 | F | 67.8 | Low | 70.4 | Confident | 154 Ų | 154 | 127.3 Ų | 127.3 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -82.1 | -1 | 178.9 | -57.9 | -72.4 | 0 | 0 | 0 | 113.4 | K837 I838 L839 | K837-F841 VanDerWaalsContact O-CD2 3.31Å; K837-F841 WeakPolarHBondContact O-CD2 3.46Å; I838-F841 PolarHBondContact O-N 3.37Å; I838-F841 VanDerWaalsContact O-N 3.16Å; L839-F841 VanDerWaalsContact C-N 3.35Å |
| 842 | R | 68.4 | Low | 68.4 | Low | 194 Ų | 194 | 133.9 Ų | 133.9 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -98.3 | 7 | -179.2 | -74.2 | -172.5 | 62.5 | 154 | 2.5 | 114.5 | L839 R840 | L839-R842 PolarHBondContact O-N 2.99Å; R840-R842 VanDerWaalsContact C-N 3.27Å; R840-R842 PolarHBondContact O-N 2.75Å |
| 843 | S | 57 | Low | 67.4 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -126 | 15.3 | -176.1 | -56.3 | 0 | 0 | 0 | 0 | 114 | | |
| 844 | G | 56.6 | Low | 66.3 | Low | 54 Ų | 54 | 133 Ų | 133 | 56% | 0.557 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -151.3 | 143.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109 | L846 | G844-L846 PolarHBondContact O-N 3.4Š|
| 845 | S | 55.6 | Low | 65.2 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | | | trans | -60.6 | 124.9 | 175.6 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | K847 | S845-K847 PolarHBondContact O-N 2.86Š|
| 846 | L | 56.3 | Low | 63.9 | Low | 139 Ų | 139 | 136.4 Ų | 136.4 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | | | trans | -71.7 | 78.8 | 173.3 | -169.6 | 78.4 | 0 | 0 | 0 | 109 | G844 L848 | G844-L846 PolarHBondContact O-N 3.4Å; L846-L848 VanDerWaalsContact C-N 3.31Å; L846-L848 HydrophobicContact CD2-CD2 4.29Å; L846-L848 PolarHBondContact O-N 3.39Å |
| 847 | K | 61.1 | Low | 62.7 | Low | 183 Ų | 183 | 136.1 Ų | 136.1 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | | | trans | -69.4 | 92.2 | 174.3 | -173.4 | 177 | -179.3 | -179.2 | 0 | 108 | S845 M849 | S845-K847 PolarHBondContact O-N 2.86Å; K847-M849 PolarHBondContact O-N 2.78Å; K847-M849 VanDerWaalsContact O-N 3.09Å |
| 848 | L | 55.3 | Low | 61.2 | Low | 136 Ų | 136 | 136.1 Ų | 136.1 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | | | trans | -58.1 | 111.9 | 164.7 | -65.7 | 173.4 | 0 | 0 | 0 | 106.9 | L846 T850 | L846-L848 VanDerWaalsContact C-N 3.31Å; L846-L848 HydrophobicContact CD2-CD2 4.29Å; L846-L848 PolarHBondContact O-N 3.39Å; L848-T850 PolarHBondContact O-N 3.15Å |
| 849 | M | 51.3 | Low | 59.8 | Low | 153 Ų | 153 | 139.8 Ų | 139.8 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | trans | -94.6 | 80.6 | 176.1 | -166.9 | 175.4 | 84.6 | 0 | 0 | 107.2 | K847 T851 | K847-M849 PolarHBondContact O-N 2.78Å; K847-M849 VanDerWaalsContact O-N 3.09Å; M849-T851 PolarHBondContact O-N 2.93Å |
| 850 | T | 58.6 | Low | 58.6 | Low | 119 Ų | 119 | 143.5 Ų | 143.5 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | | | trans | -65.6 | 108.9 | 166.4 | 45.9 | 0 | 0 | 0 | 0 | 107.8 | L848 | L848-T850 PolarHBondContact O-N 3.15Š|
| 851 | T | 55.3 | Low | 57.1 | Low | 125 Ų | 125 | 141.3 Ų | 141.3 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | -68.9 | 131.2 | 162.3 | 44.8 | 0 | 0 | 0 | 0 | 108.3 | M849 | M849-T851 PolarHBondContact O-N 2.93Š|
| 852 | V | 42.1 | Very low | 56.1 | Low | 209 Ų | 209 | 140.1 Ų | 140.1 | 100% | 1.267 | 79% | 0.786 | S | S | * | * | | | trans | -108.5 | 0 | 163.7 | -178.1 | 0 | 0 | 0 | 0 | 105.6 | | |