| 1 | M | 42 | Very low | 54.2 | Low | 245 Ų | 245 | 161.3 Ų | 161.3 | 100% | 1.207 | 86% | 0.859 | S | S | * | * | | | | 0 | 131.2 | 0 | -63.6 | 167.3 | 77.4 | 0 | 0 | 107.9 | | |
| 2 | S | 52.9 | Low | 54.3 | Low | 117 Ų | 117 | 162.8 Ų | 162.8 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | | | trans | -79.9 | 131 | -177.7 | -169 | 0 | 0 | 0 | 0 | 111.3 | M4 | S2-M4 PolarHBondContact O-N 3.49Š|
| 3 | K | 54.9 | Low | 54.7 | Low | 206 Ų | 206 | 163.8 Ų | 163.8 | 90% | 0.896 | 85% | 0.85 | S | S | * | * | | | trans | -85.6 | 97.2 | 170.9 | -91.4 | -173.2 | 174.2 | 179.2 | 0 | 109.2 | | |
| 4 | M | 54.3 | Low | 55.6 | Low | 166 Ų | 166 | 162.1 Ų | 162.1 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 138.4 | 165.5 | -69.3 | 173.7 | 64.2 | 0 | 0 | 110.1 | S2 A6 | S2-M4 PolarHBondContact O-N 3.49Å; M4-A6 PolarHBondContact O-N 2.84Å |
| 5 | P | 51.5 | Low | 56.1 | Low | 124 Ų | 124 | 160 Ų | 160 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.1 | 173.7 | 27.6 | -33.2 | 0 | 0 | 0 | 110 | K7 | P5-K7 PolarHBondContact O-N 3.29Š|
| 6 | A | 53.8 | Low | 56.3 | Low | 99 Ų | 99 | 155.3 Ų | 155.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M4 K8 | M4-A6 PolarHBondContact O-N 2.84Å; A6-K8 PolarHBondContact O-N 3.44Å; A6-K8 VanDerWaalsContact O-N 3.13Å |
| 7 | K | 52.7 | Low | 56.2 | Low | 205 Ų | 205 | 153.8 Ų | 153.8 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 118.3 | 172.4 | -76.5 | -176.8 | 174.7 | 179 | 0 | 109.4 | P5 K9 | P5-K7 PolarHBondContact O-N 3.29Å; K7-K9 PolarHBondContact O-N 3.05Å |
| 8 | K | 60.8 | Low | 56.2 | Low | 210 Ų | 210 | 152.4 Ų | 152.4 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | | | trans | -60.6 | 106 | 165.8 | -103.4 | -175.2 | 173.2 | -179.1 | 0 | 107.9 | A6 S10 | A6-K8 PolarHBondContact O-N 3.44Å; A6-K8 VanDerWaalsContact O-N 3.13Å; K8-S10 PolarHBondContact O-N 2.91Å |
| 9 | K | 61 | Low | 56 | Low | 191 Ų | 191 | 153.7 Ų | 153.7 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | | | trans | -58.8 | 133.6 | 168.3 | 51.5 | 172.9 | 179.2 | -78.5 | 0 | 109.2 | K7 C11 | K7-K9 PolarHBondContact O-N 3.05Å; K9-C11 PolarHBondContact O-N 3.05Å |
| 10 | S | 59 | Low | 55.6 | Low | 105 Ų | 105 | 150.8 Ų | 150.8 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | | | trans | -60.2 | 131.1 | 172.7 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | K8 | K8-S10 PolarHBondContact O-N 2.91Š|
| 11 | C | 53.3 | Low | 55.1 | Low | 106 Ų | 106 | 152.6 Ų | 152.6 | 72% | 0.716 | 82% | 0.821 | S | S | * | * | | | trans | -95.7 | 10.3 | -173.9 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | K9 | K9-C11 PolarHBondContact O-N 3.05Š|
| 12 | F | 55.1 | Low | 55.2 | Low | 180 Ų | 180 | 147.4 Ų | 147.4 | 79% | 0.789 | 80% | 0.803 | S | S | * | * | | | trans | -122.2 | 125.8 | 177.9 | -63.9 | -73.6 | 0 | 0 | 0 | 110.3 | | |
| 13 | Q | 60.1 | Low | 54.5 | Low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -121.1 | 118.4 | 178.7 | -178.8 | 171.1 | -6.2 | 0 | 0 | 107.6 | T15 | Q13-T15 PolarHBondContact O-N 3.29Š|
| 14 | I | 67.3 | Low | 54.1 | Low | 141 Ų | 141 | 141.4 Ų | 141.4 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | | | trans | -74.4 | 110.3 | 174.3 | -59.2 | 175.6 | 0 | 0 | 0 | 106.5 | S16 V17 | I14-S16 WeakPolarHBondContact CG2-O 3.3Å; I14-V17 HydrophobicContact CG2-CG2 3.63Å |
| 15 | T | 63.3 | Low | 53.4 | Low | 130 Ų | 130 | 140.3 Ų | 140.3 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | | | trans | -76.9 | -23.2 | -173.2 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | Q13 | Q13-T15 PolarHBondContact O-N 3.29Š|
| 16 | S | 58.4 | Low | 52.7 | Low | 85 Ų | 85 | 137.6 Ų | 137.6 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | | | trans | -162.1 | 151.7 | 175.4 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | I14 | I14-S16 WeakPolarHBondContact CG2-O 3.3Š|
| 17 | V | 55.4 | Low | 52 | Low | 129 Ų | 129 | 137.6 Ų | 137.6 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | | | trans | -133.3 | 108.5 | 163.8 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | I14 | I14-V17 HydrophobicContact CG2-CG2 3.63Š|
| 18 | T | 56.2 | Low | 51.7 | Low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | -100.6 | 107.2 | 173.3 | 47.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 19 | Q | 52.2 | Low | 50.8 | Low | 177 Ų | 177 | 129.7 Ų | 129.7 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -64.9 | 134.5 | 163.9 | -172.6 | 172.3 | 8.2 | 0 | 0 | 108.3 | Q21 | Q19-Q21 PolarHBondContact O-N 3.31Å; Q19-Q21 VanDerWaalsContact O-N 3.12Å |
| 20 | A | 47.6 | Very low | 50.3 | Low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -67.6 | 111.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V22 | A20-V22 PolarHBondContact O-N 3.32Š|
| 21 | Q | 44.5 | Very low | 49.8 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -75.6 | 119.6 | 176.1 | -70.2 | 177.1 | -30.7 | 0 | 0 | 109 | Q19 A23 | Q19-Q21 PolarHBondContact O-N 3.31Å; Q19-Q21 VanDerWaalsContact O-N 3.12Å; Q21-A23 PolarHBondContact O-N 3.36Å |
| 22 | V | 45.8 | Very low | 49.4 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -64.6 | 131.1 | 164 | 175.3 | 0 | 0 | 0 | 0 | 107.5 | A20 A24 | A20-V22 PolarHBondContact O-N 3.32Å; V22-A24 PolarHBondContact O-N 2.95Å |
| 23 | A | 37.7 | Very low | 49.1 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -72.3 | 101.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q21 | Q21-A23 PolarHBondContact O-N 3.36Š|
| 24 | A | 46 | Very low | 48.6 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | -101.3 | 118.6 | 164 | 0 | 0 | 0 | 0 | 0 | 109 | V22 | V22-A24 PolarHBondContact O-N 2.95Š|
| 25 | V | 40.2 | Very low | 48 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -101.5 | 129.5 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 26 | G | 36.9 | Very low | 47.7 | Very low | 68 Ų | 68 | 127 Ų | 127 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -98.2 | -160.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 27 | A | 38.9 | Very low | 47.6 | Very low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | cis | -166.4 | 154.4 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 28 | A | 45.4 | Very low | 47.4 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | 67 | 160.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 29 | D | 42.2 | Very low | 47.2 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | 51 | 121.4 | -175.5 | -67.4 | -152.1 | 0 | 0 | 0 | 115.8 | | |
| 30 | D | 51.9 | Low | 47.3 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | cis | 86.9 | 142.9 | 39.6 | -147.4 | -25.2 | 0 | 0 | 0 | 113.1 | | |
| 31 | T | 47.8 | Very low | 47.3 | Very low | 102 Ų | 102 | 132 Ų | 132 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | | | trans | 61.9 | 140.5 | -167 | 79.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 32 | E | 45.6 | Very low | 47.7 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 48.4 | 154.1 | 154.9 | 75 | -149.1 | 91.6 | 0 | 0 | 122 | | |
| 33 | S | 48 | Very low | 48 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | cis | -170.8 | 150.7 | -24.4 | 168.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 34 | L | 48.7 | Very low | 48.5 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | 36.1 | 117.6 | 160 | -86.1 | 156.1 | 0 | 0 | 0 | 119.9 | | |
| 35 | D | 55 | Low | 48.7 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | | -161.3 | 152.8 | 100.7 | -135.4 | -138.3 | 0 | 0 | 0 | 111.3 | | |
| 36 | D | 57.8 | Low | 49 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | -152.4 | 120.9 | -177.5 | -179.3 | -9.3 | 0 | 0 | 0 | 110.4 | D38 | D36-D38 PolarHBondContact OD1-N 2.99Š|
| 37 | P | 55.6 | Low | 49.4 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | | | trans | -128.1 | 92.6 | 163.8 | 35.4 | -19.5 | 0 | 0 | 0 | 113.4 | E39 | P37-E39 PolarHBondContact O-N 2.98Š|
| 38 | D | 51.5 | Low | 49.8 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | | | trans | 11.9 | 95.4 | 138.8 | -170.3 | -13.8 | 0 | 0 | 0 | 116.4 | D36 S40 | D36-D38 PolarHBondContact OD1-N 2.99Å; D38-S40 WeakPolarHBondContact OD1-CB 3.37Å; D38-S40 PolarHBondContact OD1-N 3.46Å; D38-S40 PolarHBondContact OD1-OG 3.34Å |
| 39 | E | 52.5 | Low | 50.1 | Low | 197 Ų | 197 | 142.6 Ų | 142.6 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | | | trans | -107 | 90.6 | 161.3 | -73.6 | -151.3 | 118.5 | 0 | 0 | 110.7 | P37 | P37-E39 PolarHBondContact O-N 2.98Š|
| 40 | S | 53.2 | Low | 50.1 | Low | 93 Ų | 93 | 145.1 Ų | 145.1 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | -81 | 129 | -180 | 11.7 | 0 | 0 | 0 | 0 | 112.3 | D38 | D38-S40 WeakPolarHBondContact OD1-CB 3.37Å; D38-S40 PolarHBondContact OD1-N 3.46Å; D38-S40 PolarHBondContact OD1-OG 3.34Å |
| 41 | R | 48.6 | Very low | 49.4 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 75% | 0.751 | 76% | 0.762 | S | S | * | * | | | trans | -132.5 | 90.5 | 167.5 | -112.1 | -177.7 | 179.1 | -123.4 | -20.2 | 113.2 | E43 | R41-E43 HydrophobicContact CG-CG 4.41Å; R41-E43 IonicContact CZ-OE1 2.95Å; R41-E43 IonicContact CZ-OE2 3.62Å; R41-E43 IonicContact NE-OE1 3.67Å; R41-E43 IonicContact NE-OE2 3.78Å; R41-E43 IonicContact NH1-OE1 2.62Å; R41-E43 PolarHBondContact NH1-OE1 2.78Å; R41-E43 IonicContact NH1-OE2 3.15Å; R41-E43 PolarHBondContact NH1-OE2 2.83Å; R41-E43 IonicContact NH2-OE1 2.75Å; R41-E43 PolarHBondContact NH2-OE1 3.44Å; R41-E43 IonicContact NH2-OE2 3.04Å |
| 42 | T | 51.9 | Low | 48.8 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | trans | -85.4 | 99.4 | 161.3 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 43 | E | 53 | Low | 48.7 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 58% | 0.584 | 77% | 0.77 | S | S | * | * | | | trans | -123.4 | 77 | 175.9 | -73.6 | -179 | 144.1 | 0 | 0 | 111.2 | R41 | R41-E43 HydrophobicContact CG-CG 4.41Å; R41-E43 IonicContact CZ-OE1 2.95Å; R41-E43 IonicContact CZ-OE2 3.62Å; R41-E43 IonicContact NE-OE1 3.67Å; R41-E43 IonicContact NE-OE2 3.78Å; R41-E43 IonicContact NH1-OE1 2.62Å; R41-E43 PolarHBondContact NH1-OE1 2.78Å; R41-E43 IonicContact NH1-OE2 3.15Å; R41-E43 PolarHBondContact NH1-OE2 2.83Å; R41-E43 IonicContact NH2-OE1 2.75Å; R41-E43 PolarHBondContact NH2-OE1 3.44Å; R41-E43 IonicContact NH2-OE2 3.04Å |
| 44 | D | 48.5 | Very low | 48 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | 42.5 | 105.5 | 131.8 | -137.3 | -45.4 | 0 | 0 | 0 | 119.8 | S46 | D44-S46 PolarHBondContact O-N 3.47Å; D44-S46 WeakPolarHBondContact OD1-CB 3.37Å; D44-S46 PolarHBondContact OD1-N 2.81Å; D44-S46 PolarHBondContact OD1-OG 3.05Å |
| 45 | M | 48.4 | Very low | 47.3 | Very low | 196 Ų | 196 | 146 Ų | 146 | 97% | 0.966 | 77% | 0.77 | S | S | * | * | | | trans | -97.3 | 57 | 166.9 | -173.5 | 133 | 66.3 | 0 | 0 | 111.6 | | |
| 46 | S | 46.8 | Very low | 46.3 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | trans | -131.7 | 84.1 | 179.2 | -40.6 | 0 | 0 | 0 | 0 | 112.8 | D44 | D44-S46 PolarHBondContact O-N 3.47Å; D44-S46 WeakPolarHBondContact OD1-CB 3.37Å; D44-S46 PolarHBondContact OD1-N 2.81Å; D44-S46 PolarHBondContact OD1-OG 3.05Å |
| 47 | S | 45.3 | Very low | 44.9 | Very low | 126 Ų | 126 | 150 Ų | 150 | 88% | 0.881 | 77% | 0.772 | S | S | * | * | | | trans | 179.5 | 87.6 | 150.7 | -83.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 48 | E | 47.5 | Very low | 43.9 | Very low | 198 Ų | 198 | 151.9 Ų | 151.9 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | | | trans | -150.8 | 71.9 | 150.4 | -167.7 | 140.3 | -136.6 | 0 | 0 | 110.1 | | |
| 49 | I | 51.3 | Low | 43.5 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | | | trans | -143.1 | 128.9 | 173.1 | -170.2 | 67.6 | 0 | 0 | 0 | 108.5 | | |
| 50 | Y | 43.4 | Very low | 42.5 | Very low | 209 Ų | 209 | 144.3 Ų | 144.3 | 82% | 0.82 | 75% | 0.752 | S | S | * | * | | | trans | 65.5 | 139.2 | -160.9 | -56.3 | -90.3 | 0 | 0 | 0 | 113 | | |
| 51 | D | 37.5 | Very low | 41.4 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | cis | -141.4 | 119.2 | 26.8 | 177 | 19.9 | 0 | 0 | 0 | 113.7 | S53 | D51-S53 PolarHBondContact OD1-N 3.24Š|
| 52 | V | 35.3 | Very low | 40.6 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | | | trans | -147.3 | 74.1 | 160.9 | -171 | 0 | 0 | 0 | 0 | 109.6 | | |
| 53 | S | 42.8 | Very low | 39.7 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -154.1 | 54.3 | 174.7 | -83.6 | 0 | 0 | 0 | 0 | 116.7 | D51 | D51-S53 PolarHBondContact OD1-N 3.24Š|
| 54 | R | 34.2 | Very low | 38.5 | Very low | 234 Ų | 234 | 144.4 Ų | 144.4 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | trans | -169.7 | 148.2 | 153 | -110.2 | -171.6 | 156.1 | 87 | 2.9 | 110.2 | | |
| 55 | A | 33.7 | Very low | 37.7 | Very low | 73 Ų | 73 | 142.6 Ų | 142.6 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | | | cis | -153 | 149.6 | -6.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 56 | E | 34.2 | Very low | 37.4 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | | | | 47 | 100 | 124.3 | -169.5 | 173.5 | -163.1 | 0 | 0 | 119.5 | | |
| 57 | Y | 28.1 | Very low | 36.9 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | | | | -167.8 | 143.4 | 110.2 | -153.2 | -113.5 | 0 | 0 | 0 | 111.8 | P59 | Y57-P59 HydrophobicContact CE1-CG 4.29Š|
| 58 | E | 35 | Very low | 36.4 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | trans | -129.2 | 140.2 | 170.7 | -137.6 | -82.8 | 141.9 | 0 | 0 | 106.2 | A60 | E58-A60 VanDerWaalsContact CD-N 3.33Å; E58-A60 PolarHBondContact OE1-N 3.21Å; E58-A60 PolarHBondContact OE2-N 3.46Å |
| 59 | P | 41.8 | Very low | 36 | Very low | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | | | | -144 | 138.6 | 116.2 | 35.3 | -20.6 | 0 | 0 | 0 | 114.8 | Y57 | Y57-P59 HydrophobicContact CE1-CG 4.29Š|
| 60 | A | 32.3 | Very low | 35.6 | Very low | 64 Ų | 64 | 139 Ų | 139 | 53% | 0.529 | 74% | 0.744 | S | S | . | * | | | trans | -62.1 | -172.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E58 | E58-A60 VanDerWaalsContact CD-N 3.33Å; E58-A60 PolarHBondContact OE1-N 3.21Å; E58-A60 PolarHBondContact OE2-N 3.46Å |
| 61 | C | 29.7 | Very low | 35.1 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | | | trans | 77.5 | 138.7 | 168.5 | -70.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 62 | E | 31.8 | Very low | 35.1 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 62% | 0.621 | 74% | 0.741 | S | S | * | * | | | cis | -146.5 | 160.5 | 10.2 | -80.5 | -149.3 | 134.8 | 0 | 0 | 114.8 | | |
| 63 | R | 32.3 | Very low | 35 | Very low | 193 Ų | 193 | 135 Ų | 135 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | | | trans | 57.4 | 133.8 | 137.3 | -78 | -177 | 169 | 106.6 | 11.5 | 123.4 | | |
| 64 | S | 29.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | trans | 75 | 155.2 | 132.9 | -69.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 65 | S | 31.6 | Very low | 34.3 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | cis | -178.2 | 157.5 | -19.9 | 173.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 66 | S | 40.4 | Very low | 34.3 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | trans | 63.4 | 162.3 | 149.3 | 39.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 67 | D | 37.2 | Very low | 34 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | cis | -172.1 | -175.1 | -26.9 | -169.8 | -162.7 | 0 | 0 | 0 | 108.6 | | |
| 68 | E | 35.6 | Very low | 34.2 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | | | trans | 4.3 | 117.4 | 164.7 | -75 | -161.2 | 65.1 | 0 | 0 | 118.9 | | |
| 69 | A | 38.1 | Very low | 34.6 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | | | | 79.5 | 126.2 | 71.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 70 | L | 42.9 | Very low | 34 | Very low | 183 Ų | 183 | 125.8 Ų | 125.8 | 96% | 0.958 | 75% | 0.752 | S | S | * | * | | | trans | -139.3 | 134.4 | 164.4 | -81.3 | -178.2 | 0 | 0 | 0 | 112.4 | | |
| 71 | N | 33.7 | Very low | 33.9 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | -87.5 | 171.3 | 171.1 | -135.8 | -27.5 | 0 | 0 | 0 | 108.1 | | |
| 72 | N | 36.2 | Very low | 34 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | cis | -166.7 | -165.8 | 11.7 | -161.3 | -12.6 | 0 | 0 | 0 | 109.2 | | |
| 73 | V | 34 | Very low | 35.1 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | trans | 80.1 | 130.5 | 173.6 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 74 | G | 33.5 | Very low | 34.9 | Very low | 67 Ų | 67 | 127.8 Ų | 127.8 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | cis | 118.5 | 138.2 | 19.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 75 | E | 27.8 | Very low | 34.9 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | cis | -126.1 | 160.4 | 16 | -72.7 | 154.5 | 83.7 | 0 | 0 | 109.4 | | |
| 76 | A | 34.8 | Very low | 34.9 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | cis | 87.3 | 82 | 33.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 77 | E | 27.7 | Very low | 35.1 | Very low | 202 Ų | 202 | 129.2 Ų | 129.2 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | | | trans | -145.8 | 157.3 | 142 | -140.8 | -175.6 | 124.2 | 0 | 0 | 111.6 | | |
| 78 | A | 32.3 | Very low | 35.9 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | -145.5 | -167 | -178.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 79 | P | 42.8 | Very low | 36.1 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | -112.7 | -160.7 | -14 | 40.6 | -23.6 | 0 | 0 | 0 | 109.8 | | |
| 80 | A | 29.4 | Very low | 35.6 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | cis | -156 | -178.9 | 10.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 81 | N | 30.4 | Very low | 35.8 | Very low | 160 Ų | 160 | 123.4 Ų | 123.4 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | cis | -147.2 | 164.9 | 5.7 | -165.4 | 14.5 | 0 | 0 | 0 | 110 | | |
| 82 | A | 32.6 | Very low | 35.6 | Very low | 84 Ų | 84 | 120.6 Ų | 120.6 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | | | trans | -99.2 | 178.5 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 83 | P | 54.6 | Low | 35.3 | Very low | 118 Ų | 118 | 117.5 Ų | 117.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -111.8 | -178.9 | -150.1 | 43 | -39.1 | 0 | 0 | 0 | 115.9 | | |
| 84 | Q | 28.5 | Very low | 35.2 | Very low | 193 Ų | 193 | 118 Ų | 118 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | trans | 162.2 | 158.7 | 149.8 | -94.7 | -176.2 | 6.1 | 0 | 0 | 109.7 | | |
| 85 | A | 29.3 | Very low | 35.1 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | cis | -160.3 | 170.2 | -13.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 86 | T | 31.1 | Very low | 35.3 | Very low | 131 Ų | 131 | 117.1 Ų | 117.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -61.4 | 158.9 | 165.7 | 22.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 87 | P | 45.1 | Very low | 35 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | | -146.2 | 173.4 | 66.3 | 35.3 | -12.8 | 0 | 0 | 0 | 117.8 | | |
| 88 | P | 52.8 | Low | 35.1 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | trans | -94.2 | -179.1 | -178.6 | 41.1 | -38.1 | 0 | 0 | 0 | 113.2 | | |
| 89 | P | 40.3 | Very low | 35 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | | -151.5 | 175.1 | 95.5 | 41.7 | -25.3 | 0 | 0 | 0 | 116.5 | | |
| 90 | G | 27.6 | Very low | 34.4 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -136.8 | -167.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 91 | P | 46.8 | Very low | 34.5 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | cis | -132.3 | 176.4 | -5.7 | 42 | -27 | 0 | 0 | 0 | 114.8 | | |
| 92 | G | 30.5 | Very low | 34.4 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | | | trans | 87.2 | 173.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 93 | G | 29.4 | Very low | 34.2 | Very low | 68 Ų | 68 | 127 Ų | 127 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 111.2 | 52.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 94 | N | 31 | Very low | 33.1 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | | | trans | 14.3 | 141.3 | 148.6 | 65.1 | -56.4 | 0 | 0 | 0 | 124.2 | | |
| 95 | T | 32.1 | Very low | 33.2 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | | | trans | 86.9 | 117.8 | 137.2 | 39.2 | 0 | 0 | 0 | 0 | 124.3 | | |
| 96 | T | 32.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | | | trans | 82 | 123.7 | 136 | 46.1 | 0 | 0 | 0 | 0 | 124.5 | | |
| 97 | E | 29.2 | Very low | 33.5 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | | | trans | 79 | 107.9 | 133.9 | -66.7 | -78.7 | 81.7 | 0 | 0 | 122.6 | | |
| 98 | L | 30.2 | Very low | 32.9 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | 42.6 | 119 | 133.3 | -60.9 | 172.1 | 0 | 0 | 0 | 121.4 | | |
| 99 | R | 30 | Very low | 31.8 | Very low | 236 Ų | 236 | 123.7 Ų | 123.7 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | | 168.8 | 106.2 | 107.7 | -177.4 | 172.1 | -67 | -158.5 | -0.4 | 116.9 | | |
| 100 | K | 30 | Very low | 31.2 | Very low | 195 Ų | 195 | 121.3 Ų | 121.3 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | 36.3 | 119.2 | 130.2 | -175.6 | -172.4 | 178.3 | 179.7 | 0 | 122.2 | | |
| 101 | V | 30.3 | Very low | 31.5 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -162.1 | 117.5 | 142.1 | 137.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 102 | A | 28.1 | Very low | 30.8 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | | 62 | 129.5 | 80.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 103 | G | 29.6 | Very low | 30.8 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | cis | -145.9 | -159.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 104 | S | 31.3 | Very low | 31 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | cis | -162.9 | 152.7 | 5.3 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 105 | G | 29.6 | Very low | 30.9 | Very low | 62 Ų | 62 | 132.5 Ų | 132.5 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | cis | 166.8 | -171.8 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 106 | S | 31.6 | Very low | 30.9 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | 70.2 | 142 | 162.5 | -89.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 107 | V | 35.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | | | cis | -144.2 | 136.5 | 5.1 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 108 | H | 33.2 | Very low | 31.3 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | | | trans | 18.9 | 148.7 | 155.7 | -52.1 | 67.3 | 0 | 0 | 0 | 122.9 | | |
| 109 | G | 29.2 | Very low | 31.3 | Very low | 78 Ų | 78 | 132.3 Ų | 132.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | cis | 153.4 | 141.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 110 | G | 28.8 | Very low | 31.9 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 87.5 | 160.3 | 165 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 111 | Q | 32.9 | Very low | 31.8 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | cis | -170.4 | 129.1 | -24.2 | -141.4 | -175.3 | 5.7 | 0 | 0 | 111.5 | | |
| 112 | N | 31.2 | Very low | 31.9 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | 55.5 | 167.3 | 153.4 | -62.1 | -2.6 | 0 | 0 | 0 | 118.9 | | |
| 113 | Q | 31.9 | Very low | 32.6 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | cis | -148.6 | 178.3 | -2.1 | -139.5 | 174.8 | 125.4 | 0 | 0 | 110.4 | | |
| 114 | L | 33.3 | Very low | 32.5 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | | | trans | -77.9 | 152.2 | 178 | -65.6 | 79.9 | 0 | 0 | 0 | 112.6 | | |
| 115 | G | 28.6 | Very low | 32.5 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | trans | -153.5 | 121.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 116 | I | 31.5 | Very low | 32.7 | Very low | 161 Ų | 161 | 132 Ų | 132 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -83.2 | 151.6 | -174.9 | 46 | 173.7 | 0 | 0 | 0 | 114.2 | | |
| 117 | T | 28.1 | Very low | 33.5 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -5.1 | 157.6 | 152.6 | 57.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 118 | P | 43.3 | Very low | 33.3 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | cis | -138.1 | -161.6 | 0.6 | 36.7 | -13.6 | 0 | 0 | 0 | 115.5 | | |
| 119 | T | 29.4 | Very low | 33.3 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -60.2 | 177.9 | 165.2 | 20.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 120 | P | 42.6 | Very low | 33.4 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | cis | -131.2 | 179.5 | -8.9 | 38.5 | -21.6 | 0 | 0 | 0 | 115 | | |
| 121 | G | 27.7 | Very low | 33.7 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | 169.2 | 111.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 122 | L | 33.3 | Very low | 33.7 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | | | trans | -94.4 | 157.7 | 159.1 | -91 | 170.4 | 0 | 0 | 0 | 108.1 | | |
| 123 | P | 42.6 | Very low | 33.8 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | | | | -156.3 | 177.4 | 55.8 | 44.8 | -24.1 | 0 | 0 | 0 | 119.6 | | |
| 124 | L | 26.1 | Very low | 33.7 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | 57.1 | 115.9 | 142 | -171.6 | 67.9 | 0 | 0 | 0 | 120.3 | | |
| 125 | M | 31.2 | Very low | 33.7 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | | | | -168.9 | 140.2 | 110.7 | -98.1 | 179.4 | 88.5 | 0 | 0 | 111.3 | | |
| 126 | T | 35.3 | Very low | 34.7 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -106.7 | 168.6 | 163.9 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 127 | P | 47.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | | -153 | 168.9 | 92.8 | 40.1 | -22.5 | 0 | 0 | 0 | 116.8 | | |
| 128 | S | 32.3 | Very low | 34.7 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | | | trans | 65.9 | 142.7 | 156.6 | -57.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 129 | G | 32.3 | Very low | 34.1 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | cis | 161.6 | 143.3 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 130 | G | 30.8 | Very low | 34.2 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | 127.3 | 89 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 131 | V | 35.3 | Very low | 34.8 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | | 38.1 | 132.3 | 71.8 | -74.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 132 | Q | 32.7 | Very low | 34.8 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | cis | -153 | 171.7 | 17.3 | -93.5 | -131.8 | 2.2 | 0 | 0 | 108.4 | | |
| 133 | H | 34.7 | Very low | 34.7 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | cis | 175.4 | 163.2 | -19.4 | -145.1 | 151.9 | 0 | 0 | 0 | 106.5 | | |
| 134 | Q | 29.8 | Very low | 34.1 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 89.6 | 133.4 | 147.7 | -162.1 | 157.7 | 12.9 | 0 | 0 | 123 | | |
| 135 | L | 31.8 | Very low | 34.4 | Very low | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -101.7 | 167.2 | 168.4 | -98.5 | 81 | 0 | 0 | 0 | 109.3 | | |
| 136 | P | 50.4 | Low | 34.2 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | cis | -159.3 | -176.5 | 44.7 | 45.1 | -22.7 | 0 | 0 | 0 | 120.1 | | |
| 137 | A | 30.4 | Very low | 34.2 | Very low | 78 Ų | 78 | 123.7 Ų | 123.7 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | | | trans | 78.1 | 126.3 | 135.8 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 138 | I | 29.5 | Very low | 33.4 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | 86.1 | 139.9 | 135.7 | -68.9 | 165.7 | 0 | 0 | 0 | 121 | | |
| 139 | A | 30.5 | Very low | 33.6 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | trans | 73.5 | 123 | 160.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 140 | S | 30.7 | Very low | 34.4 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -93.6 | -171.4 | 154.8 | -20.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 141 | P | 55.9 | Low | 34.2 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | cis | -129.3 | 167.1 | -21.7 | 38.6 | -24.5 | 0 | 0 | 0 | 113 | | |
| 142 | S | 27.4 | Very low | 34 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -161.6 | 146.4 | 156.1 | -152.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 143 | V | 31.2 | Very low | 33.9 | Very low | 140 Ų | 140 | 124 Ų | 124 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | 39.3 | 145 | 160.6 | -65.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 144 | S | 30.2 | Very low | 33.9 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -109.6 | 163.8 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 113 | | |
| 145 | A | 32.8 | Very low | 34 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | 68.6 | 94.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 146 | N | 27.5 | Very low | 34 | Very low | 156 Ų | 156 | 117.8 Ų | 117.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -159 | 144.5 | 140 | -133.8 | 15.4 | 0 | 0 | 0 | 106.5 | | |
| 147 | T | 33.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 116.7 Ų | 116.7 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | | | cis | -160.4 | 177 | -11.8 | -137.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 148 | S | 30.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | 73.3 | 126.6 | 166.2 | -72.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 149 | Q | 37.3 | Very low | 34.2 | Very low | 186 Ų | 186 | 116.5 Ų | 116.5 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -74 | 179.5 | 147.9 | -87.7 | -175.2 | -24.2 | 0 | 0 | 110.3 | | |
| 150 | P | 48.1 | Very low | 34.4 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | cis | -144.4 | -158 | 22.2 | 45.1 | -24.2 | 0 | 0 | 0 | 116.2 | | |
| 151 | A | 28.1 | Very low | 35.3 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 80.5 | 106.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 152 | A | 30.6 | Very low | 34.4 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | | | trans | -141.7 | 128.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 153 | G | 31.3 | Very low | 34.9 | Very low | 71 Ų | 71 | 119.1 Ų | 119.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | -129.8 | 141.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 154 | S | 33 | Very low | 35.7 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | 48.9 | 104.4 | 167.2 | -59.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 155 | S | 32 | Very low | 37.3 | Very low | 118 Ų | 118 | 116.5 Ų | 116.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | | -176.8 | 147.7 | 111.2 | 41.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 156 | S | 33.1 | Very low | 38.8 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | 47 | 127.5 | 155 | -146.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 157 | A | 43.1 | Very low | 40.6 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -78.5 | 134.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 158 | T | 32.7 | Very low | 42.9 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -108.1 | 100.3 | 168.2 | 41.3 | 0 | 0 | 0 | 0 | 110.3 | T160 | T158-T160 PolarHBondContact O-N 3.06Š|
| 159 | S | 37.8 | Very low | 45.1 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -70.9 | 85.4 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | V161 | S159-V161 PolarHBondContact O-N 2.79Š|
| 160 | T | 35.4 | Very low | 46.9 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -72.7 | 94.5 | 173.4 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | T158 S162 | T158-T160 PolarHBondContact O-N 3.06Å; T160-S162 PolarHBondContact O-N 2.76Å; T160-S162 VanDerWaalsContact O-N 3.15Å |
| 161 | V | 49.8 | Very low | 48.3 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | -59.8 | 112.5 | 170.1 | -94.7 | 0 | 0 | 0 | 0 | 110.3 | S159 | S159-V161 PolarHBondContact O-N 2.79Š|
| 162 | S | 37 | Very low | 50.6 | Low | 104 Ų | 104 | 130.5 Ų | 130.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -161.5 | 137 | 173.4 | -81.1 | 0 | 0 | 0 | 0 | 111.4 | T160 | T160-S162 PolarHBondContact O-N 2.76Å; T160-S162 VanDerWaalsContact O-N 3.15Å |
| 163 | C | 38.3 | Very low | 52.4 | Low | 124 Ų | 124 | 131.2 Ų | 131.2 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | 61 | 108.1 | 171.8 | -58.1 | 0 | 0 | 0 | 0 | 116.7 | S165 | C163-S165 VanDerWaalsContact C-N 3.27Å; C163-S165 PolarHBondContact O-N 3.4Å |
| 164 | S | 46.2 | Very low | 54 | Low | 134 Ų | 134 | 133.3 Ų | 133.3 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | | | trans | -71.6 | 76.2 | 171.2 | -168.8 | 0 | 0 | 0 | 0 | 112 | | |
| 165 | S | 64.2 | Low | 55.2 | Low | 69 Ų | 69 | 131.2 Ų | 131.2 | 48% | 0.483 | 76% | 0.756 | S | S | . | * | | | trans | -96.7 | 120.1 | 168.7 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | C163 F167 | C163-S165 VanDerWaalsContact C-N 3.27Å; C163-S165 PolarHBondContact O-N 3.4Å; S165-F167 PolarHBondContact O-N 3.46Å; S165-F167 PolarHBondContact OG-N 3.38Å; S165-F167 VanDerWaalsContact OG-N 3.15Å; S165-F167 PolarHBondContact OG-O 3.04Å |
| 166 | R | 65.9 | Low | 56.5 | Low | 237 Ų | 237 | 130.8 Ų | 130.8 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -67.2 | -19.1 | 168.6 | -62 | -159.9 | -61.5 | 175.2 | 0.9 | 112.4 | R168 | R166-R168 PolarHBondContact O-N 2.87Š|
| 167 | F | 65.4 | Low | 57.7 | Low | 184 Ų | 184 | 129.3 Ų | 129.3 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | trans | -83 | 108.7 | 175.4 | -58 | -77.5 | 0 | 0 | 0 | 110.4 | S165 | S165-F167 PolarHBondContact O-N 3.46Å; S165-F167 PolarHBondContact OG-N 3.38Å; S165-F167 VanDerWaalsContact OG-N 3.15Å; S165-F167 PolarHBondContact OG-O 3.04Å |
| 168 | R | 80.3 | Confident | 58.4 | Low | 222 Ų | 222 | 129.8 Ų | 129.8 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | | | trans | -97.9 | 127.3 | 165.3 | -62 | -175.1 | -179.4 | -157.6 | 0.7 | 108.4 | R166 I170 | R166-R168 PolarHBondContact O-N 2.87Å; R168-I170 PolarHBondContact O-N 2.87Å |
| 169 | V | 78.6 | Confident | 60.1 | Low | 151 Ų | 151 | 128.6 Ų | 128.6 | 92% | 0.915 | 73% | 0.732 | S | S | * | * | | | trans | -79.6 | 101.5 | 172.7 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 170 | I | 73.6 | Confident | 61.6 | Low | 140 Ų | 140 | 129.7 Ų | 129.7 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | | | trans | -85.8 | 121.1 | 175.2 | -58.4 | 175.7 | 0 | 0 | 0 | 107.9 | R168 L172 | R168-I170 PolarHBondContact O-N 2.87Å; I170-L172 PolarHBondContact O-N 3.16Å |
| 171 | K | 77.9 | Confident | 63.2 | Low | 140 Ų | 140 | 132.4 Ų | 132.4 | 61% | 0.609 | 72% | 0.719 | S | S | * | * | | | trans | -82.4 | 106.7 | 169.6 | -167.2 | -149.1 | 74.4 | -179.5 | 0 | 107.8 | D173 | K171-D173 WeakPolarHBondContact CE-OD1 3.39Å; K171-D173 IonicContact NZ-OD1 2.63Å; K171-D173 PolarHBondContact NZ-OD1 2.81Å; K171-D173 IonicContact NZ-OD2 3.94Å; K171-D173 PolarHBondContact O-N 3.32Å |
| 172 | L | 76.8 | Confident | 64.4 | Low | 104 Ų | 104 | 137.7 Ų | 137.7 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | | | trans | -61.6 | 127.5 | 169 | -65.3 | 169.1 | 0 | 0 | 0 | 108.5 | I170 F180 | I170-L172 PolarHBondContact O-N 3.16Å; L172-F180 HydrophobicContact CB-CE1 4.19Å; L172-F180 HydrophobicContact CB-CZ 4.01Å; L172-F180 HydrophobicContact CD1-CE1 4.26Å |
| 173 | D | 69.1 | Low | 66.2 | Low | 127 Ų | 127 | 135.1 Ų | 135.1 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | | | trans | -78.5 | 132.3 | -179.8 | -93.7 | -52 | 0 | 0 | 0 | 111.6 | K171 G175 | K171-D173 WeakPolarHBondContact CE-OD1 3.39Å; K171-D173 IonicContact NZ-OD1 2.63Å; K171-D173 PolarHBondContact NZ-OD1 2.81Å; K171-D173 IonicContact NZ-OD2 3.94Å; K171-D173 PolarHBondContact O-N 3.32Å; D173-G175 PolarHBondContact O-N 3.2Å |
| 174 | H | 64.1 | Low | 68.2 | Low | 114 Ų | 114 | 141.3 Ų | 141.3 | 53% | 0.528 | 72% | 0.719 | S | S | . | * | | | trans | -79.4 | 58.6 | -178 | -63.4 | -92.1 | 0 | 0 | 0 | 111.2 | T176 F180 | H174-T176 PolarHBondContact O-N 3Å; H174-F180 AromaticContact CE1-CE2 3.23Å; H174-F180 WeakPolarHBondContact CE1-CE2 3.44Å; H174-F180 AromaticContact CE1-CZ 3.32Å; H174-F180 WeakPolarHBondContact CE1-CZ 3.24Å; H174-F180 AromaticContact ND1-CZ 3.83Å; H174-F180 AromaticContact NE2-CE2 3.76Å; H174-F180 AromaticContact NE2-CZ 3.82Å |
| 175 | G | 57.9 | Low | 69.8 | Low | 77 Ų | 77 | 145.4 Ų | 145.4 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -61.9 | -24.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D173 | D173-G175 PolarHBondContact O-N 3.2Š|
| 176 | T | 58.6 | Low | 70.3 | Confident | 110 Ų | 110 | 150.5 Ų | 150.5 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -124.4 | 140.1 | 165.3 | 52.9 | 0 | 0 | 0 | 0 | 109 | H174 E178 | H174-T176 PolarHBondContact O-N 3Å; T176-E178 PolarHBondContact O-N 3.06Å |
| 177 | G | 58.6 | Low | 70.7 | Confident | 83 Ų | 83 | 145.4 Ų | 145.4 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | | | trans | -72.3 | 17.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 178 | E | 58.7 | Low | 70.9 | Confident | 102 Ų | 102 | 142.7 Ų | 142.7 | 48% | 0.477 | 73% | 0.73 | S | S | . | * | | | trans | -69.4 | 124.5 | 175.7 | -83 | -87.2 | 120.5 | 0 | 0 | 110.3 | T176 R181 | T176-E178 PolarHBondContact O-N 3.06Å; E178-R181 IonicContact OE1-CZ 3.94Å; E178-R181 IonicContact OE1-NH2 2.86Å; E178-R181 PolarHBondContact OE1-NH2 3.19Å; E178-R181 IonicContact OE2-CZ 3.16Å; E178-R181 IonicContact OE2-NE 2.72Å; E178-R181 PolarHBondContact OE2-NE 3.26Å; E178-R181 IonicContact OE2-NH2 2.77Å; E178-R181 PolarHBondContact OE2-NH2 3.46Å |
| 179 | P | 67.1 | Low | 70.4 | Confident | 97 Ų | 97 | 139.3 Ų | 139.3 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | | | trans | -68.9 | 137 | 172.2 | 28.8 | -33.3 | 0 | 0 | 0 | 110.1 | R181 | P179-R181 PolarHBondContact O-N 2.95Š|
| 180 | F | 69.1 | Low | 69.1 | Low | 140 Ų | 140 | 141.2 Ų | 141.2 | 61% | 0.614 | 72% | 0.72 | S | S | * | * | | | trans | -52.6 | 109.5 | -176.9 | -59.9 | -58.1 | 0 | 0 | 0 | 112.1 | L172 H174 | L172-F180 HydrophobicContact CB-CE1 4.19Å; L172-F180 HydrophobicContact CB-CZ 4.01Å; L172-F180 HydrophobicContact CD1-CE1 4.26Å; H174-F180 AromaticContact CE1-CE2 3.23Å; H174-F180 WeakPolarHBondContact CE1-CE2 3.44Å; H174-F180 AromaticContact CE1-CZ 3.32Å; H174-F180 WeakPolarHBondContact CE1-CZ 3.24Å; H174-F180 AromaticContact ND1-CZ 3.83Å; H174-F180 AromaticContact NE2-CE2 3.76Å; H174-F180 AromaticContact NE2-CZ 3.82Å |
| 181 | R | 69.3 | Low | 68.9 | Low | 179 Ų | 179 | 142.7 Ų | 142.7 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | | | trans | -74.6 | 130.3 | -178.7 | -60.4 | -177.6 | -175.6 | -99.7 | -1.8 | 109.6 | E178 P179 G183 | E178-R181 IonicContact OE1-CZ 3.94Å; E178-R181 IonicContact OE1-NH2 2.86Å; E178-R181 PolarHBondContact OE1-NH2 3.19Å; E178-R181 IonicContact OE2-CZ 3.16Å; E178-R181 IonicContact OE2-NE 2.72Å; E178-R181 PolarHBondContact OE2-NE 3.26Å; E178-R181 IonicContact OE2-NH2 2.77Å; E178-R181 PolarHBondContact OE2-NH2 3.46Å; P179-R181 PolarHBondContact O-N 2.95Å; R181-G183 VanDerWaalsContact C-N 3.34Å; R181-G183 PolarHBondContact O-N 3Å |
| 182 | R | 75.9 | Confident | 67.3 | Low | 254 Ų | 254 | 144.4 Ų | 144.4 | 96% | 0.958 | 73% | 0.728 | S | S | * | * | | | trans | -72.6 | 84.7 | 179.3 | -174.7 | 172.6 | 66 | -179.6 | -0.1 | 110.6 | | |
| 183 | G | 75.3 | Confident | 65.9 | Low | 49 Ų | 49 | 148.4 Ų | 148.4 | 51% | 0.505 | 74% | 0.741 | S | S | . | * | | | trans | -98.8 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R181 | R181-G183 VanDerWaalsContact C-N 3.34Å; R181-G183 PolarHBondContact O-N 3Å |
| 184 | R | 79.4 | Confident | 64.6 | Low | 254 Ų | 254 | 149.6 Ų | 149.6 | 96% | 0.958 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 126 | 164.3 | -72 | -173.1 | -74.7 | -139.9 | 0.3 | 108.5 | | |
| 185 | W | 79.1 | Confident | 63.5 | Low | 220 Ų | 220 | 149.8 Ų | 149.8 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 133.1 | 174.2 | -62.4 | 79.7 | 0 | 0 | 0 | 108.7 | | |
| 186 | M | 75.9 | Confident | 62.9 | Low | 177 Ų | 177 | 149 Ų | 149 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 119.4 | 169.4 | -60.9 | -165.2 | -56.9 | 0 | 0 | 108.3 | | |
| 187 | C | 73.8 | Confident | 62.5 | Low | 130 Ų | 130 | 150.5 Ų | 150.5 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | | | trans | -91.5 | 105.4 | 172.7 | -62 | 0 | 0 | 0 | 0 | 108.3 | | |
| 188 | T | 70.4 | Confident | 61.6 | Low | 127 Ų | 127 | 153.3 Ų | 153.3 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | trans | -85 | 120.8 | 166.9 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 189 | E | 68.6 | Low | 60.7 | Low | 151 Ų | 151 | 154.2 Ų | 154.2 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -69 | 135 | 164.2 | 58.5 | -168.2 | -163.6 | 0 | 0 | 109.6 | Y191 | E189-Y191 HydrophobicContact CG-CE2 3.87Å; E189-Y191 WeakPolarHBondContact OE1-CE2 3.32Å; E189-Y191 PolarHBondContact OE1-OH 3.49Å |
| 190 | F | 52.7 | Low | 59.7 | Low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | -114.7 | 101.8 | 179.2 | -165.2 | -86.4 | 0 | 0 | 0 | 108 | E192 | F190-E192 PolarHBondContact O-N 3Š|
| 191 | Y | 67.9 | Low | 58.4 | Low | 171 Ų | 171 | 160.7 Ų | 160.7 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | | | trans | -73.3 | 119 | 168.2 | -64.7 | -76.7 | 0 | 0 | 0 | 108.4 | E189 K193 | E189-Y191 HydrophobicContact CG-CE2 3.87Å; E189-Y191 WeakPolarHBondContact OE1-CE2 3.32Å; E189-Y191 PolarHBondContact OE1-OH 3.49Å; Y191-K193 PolarHBondContact O-N 3.01Å |
| 192 | E | 45.9 | Very low | 56.7 | Low | 177 Ų | 177 | 161.5 Ų | 161.5 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | -64.7 | 100.9 | 166.4 | -172.5 | 159.3 | -145.1 | 0 | 0 | 107.2 | F190 D194 | F190-E192 PolarHBondContact O-N 3Å; E192-D194 PolarHBondContact O-N 3.41Å |
| 193 | K | 47.1 | Very low | 54.6 | Low | 187 Ų | 187 | 153 Ų | 153 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -74.4 | 108 | -174.7 | -177 | -174.8 | 177.9 | -172.9 | 0 | 109 | Y191 S195 | Y191-K193 PolarHBondContact O-N 3.01Å; K193-S195 PolarHBondContact O-N 2.82Å |
| 194 | D | 40.9 | Very low | 52.9 | Low | 152 Ų | 152 | 156.4 Ų | 156.4 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | | | trans | -48.9 | 107.2 | 171 | -68.6 | -68.5 | 0 | 0 | 0 | 110.4 | E192 G196 | E192-D194 PolarHBondContact O-N 3.41Å; D194-G196 PolarHBondContact O-N 3.32Å |
| 195 | S | 42.2 | Very low | 50.8 | Low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -83.6 | 49.4 | -176 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | K193 T197 | K193-S195 PolarHBondContact O-N 2.82Å; S195-T197 PolarHBondContact O-N 2.82Å |
| 196 | G | 45.1 | Very low | 48.9 | Very low | 61 Ų | 61 | 145.9 Ų | 145.9 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | trans | -69.5 | 93.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D194 | D194-G196 PolarHBondContact O-N 3.32Š|
| 197 | T | 49.6 | Very low | 47 | Very low | 141 Ų | 141 | 145 Ų | 145 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 66.4 | 156.2 | 171 | 50 | 0 | 0 | 0 | 0 | 118.4 | S195 | S195-T197 PolarHBondContact O-N 2.82Š|
| 198 | D | 40.4 | Very low | 44.9 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | 60.5 | 103.8 | 171.8 | -136.2 | -32.6 | 0 | 0 | 0 | 119.5 | | |
| 199 | S | 39.1 | Very low | 43.5 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -167.4 | 53.5 | 160.6 | -81.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 200 | I | 46.8 | Very low | 41.7 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | | | trans | -103.1 | 87.5 | 166.7 | -62.8 | 79.5 | 0 | 0 | 0 | 108.8 | | |
| 201 | R | 40.5 | Very low | 41 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 168.8 | 96.2 | 140.2 | -173.9 | 174.7 | -55.8 | -118.7 | 0.2 | 113.5 | | |
| 202 | H | 34.5 | Very low | 39.4 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | | | trans | 52.3 | 131.2 | 150.5 | -65.5 | -100.2 | 0 | 0 | 0 | 121.6 | | |
| 203 | G | 30.8 | Very low | 39.1 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -167.7 | 47.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | V205 | G203-V205 PolarHBondContact O-N 2.76Š|
| 204 | S | 40.4 | Very low | 38.2 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -78.7 | 98.7 | -179.6 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 205 | V | 35.3 | Very low | 38.1 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -128.7 | 107.2 | 168.9 | -179 | 0 | 0 | 0 | 0 | 110.3 | G203 L207 | G203-V205 PolarHBondContact O-N 2.76Å; V205-L207 HydrophobicContact CG1-CD1 4.17Å; V205-L207 HydrophobicContact CG1-CG 4.01Å |
| 206 | T | 38.3 | Very low | 37.6 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -88 | 119.9 | 162.6 | -57.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 207 | L | 36.6 | Very low | 37.4 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -139.7 | 143 | 165.2 | -79.5 | -179.3 | 0 | 0 | 0 | 111.6 | V205 | V205-L207 HydrophobicContact CG1-CD1 4.17Å; V205-L207 HydrophobicContact CG1-CG 4.01Å |
| 208 | D | 29.1 | Very low | 36.6 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -112.9 | 130.7 | -171.2 | 175.7 | 31.4 | 0 | 0 | 0 | 109.5 | A210 | D208-A210 PolarHBondContact O-N 3Š|
| 209 | P | 41.1 | Very low | 36.8 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -90.4 | 86.1 | -173.5 | 34.5 | -34.8 | 0 | 0 | 0 | 113 | | |
| 210 | A | 31.5 | Very low | 36.5 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | | | trans | -138 | 134.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D208 | D208-A210 PolarHBondContact O-N 3Š|
| 211 | A | 38.5 | Very low | 35.9 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 56.6 | 94.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 212 | E | 32.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 124.7 Ų | 124.7 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | | | trans | -16.9 | 154.9 | 137 | -163.8 | -169.4 | 147.8 | 0 | 0 | 118.5 | | |
| 213 | R | 41.4 | Very low | 35.1 | Very low | 204 Ų | 204 | 120.3 Ų | 120.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | 84.1 | 145.2 | 175.5 | -48.3 | -67.6 | 164.4 | 72.8 | 11 | 115 | | |
| 214 | D | 28.3 | Very low | 35.2 | Very low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | cis | -167.4 | 136.2 | -20.9 | 170.1 | 29.6 | 0 | 0 | 0 | 108.2 | | |
| 215 | S | 37.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | 56.5 | 162.6 | 164.2 | -67.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 216 | G | 33 | Very low | 34.4 | Very low | 62 Ų | 62 | 122.6 Ų | 122.6 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | | | cis | 151.5 | 71.6 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 217 | L | 40.3 | Very low | 34.6 | Very low | 189 Ų | 189 | 122.1 Ų | 122.1 | 99% | 0.99 | 77% | 0.774 | S | S | * | * | | | trans | 66.6 | 148.6 | 167 | -51.8 | 171.5 | 0 | 0 | 0 | 118.4 | | |
| 218 | G | 32.6 | Very low | 34.4 | Very low | 75 Ų | 75 | 118.4 Ų | 118.4 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | 127.7 | 121.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 219 | P | 45.5 | Very low | 34.4 | Very low | 127 Ų | 127 | 117 Ų | 117 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | -113 | 160.6 | -175 | 39.9 | -32.9 | 0 | 0 | 0 | 116.4 | | |
| 220 | S | 32.1 | Very low | 34.1 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | 69.5 | 117.4 | 155.7 | -162.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 221 | V | 33.4 | Very low | 34 | Very low | 140 Ų | 140 | 120 Ų | 120 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | | 177.5 | 152.2 | 105.7 | -82.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 222 | G | 30.7 | Very low | 33.6 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | 77.1 | 119.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 223 | S | 28.4 | Very low | 34.2 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | cis | 91.5 | 120.2 | 35 | -171.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 224 | T | 31.8 | Very low | 33.7 | Very low | 131 Ų | 131 | 112 Ų | 112 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | 64.8 | 148.2 | 160.9 | 46.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 225 | V | 31.6 | Very low | 33.9 | Very low | 133 Ų | 133 | 114.6 Ų | 114.6 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | cis | -148.9 | 170.9 | 4.1 | 95.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 226 | S | 27.4 | Very low | 33.6 | Very low | 100 Ų | 100 | 112.7 Ų | 112.7 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | -72.4 | -170.1 | 176.4 | -34.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 227 | P | 44.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | cis | -139.3 | -168.4 | 12 | 42.6 | -20.9 | 0 | 0 | 0 | 116.6 | | |
| 228 | A | 31.6 | Very low | 33.1 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | trans | -68.2 | 178.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 229 | T | 29.9 | Very low | 33.1 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | | | | -170.5 | 137.6 | 69.4 | 38.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 230 | H | 32.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 118.5 Ų | 118.5 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | | | trans | 41.2 | 160.4 | 140.2 | 66 | -140.6 | 0 | 0 | 0 | 125.6 | | |
| 231 | S | 29.4 | Very low | 32.4 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | 91.4 | 122.3 | 153.5 | -56.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 232 | G | 31.5 | Very low | 32.2 | Very low | 72 Ų | 72 | 114.5 Ų | 114.5 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | -100.6 | -140.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 233 | P | 45.5 | Very low | 32.1 | Very low | 139 Ų | 139 | 118.6 Ų | 118.6 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | | | cis | -129.3 | -174.2 | -2.1 | 42.1 | -26 | 0 | 0 | 0 | 114.3 | | |
| 234 | G | 29.4 | Very low | 32.1 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -157.9 | 156 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 235 | L | 34.3 | Very low | 32 | Very low | 188 Ų | 188 | 118.4 Ų | 118.4 | 98% | 0.984 | 78% | 0.775 | S | S | * | * | | | trans | -124.5 | 149.3 | -161.1 | -72.2 | 167.6 | 0 | 0 | 0 | 116 | | |
| 236 | G | 30.6 | Very low | 31.9 | Very low | 70 Ų | 70 | 119.9 Ų | 119.9 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 151.5 | 101.4 | 165 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 237 | S | 29.9 | Very low | 32.2 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | | 85.7 | 120.3 | 75.1 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 238 | M | 32.6 | Very low | 31.6 | Very low | 171 Ų | 171 | 122 Ų | 122 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | | | cis | -161.8 | 151.7 | 4.5 | -99 | -75.3 | -179.1 | 0 | 0 | 110.7 | | |
| 239 | A | 32.8 | Very low | 31.5 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | 58.9 | 157 | 158 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 240 | E | 31.1 | Very low | 31.7 | Very low | 199 Ų | 199 | 127.1 Ų | 127.1 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | | | cis | -111.1 | -164.7 | -15.4 | -62.4 | -172.5 | 102.4 | 0 | 0 | 109 | | |
| 241 | G | 30.4 | Very low | 31.6 | Very low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | | 130.4 | 51.1 | 51.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 242 | S | 29.5 | Very low | 31.8 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | 45.9 | 116.6 | 139.9 | -100.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 243 | H | 29.8 | Very low | 31.5 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | | | trans | 45.1 | 106.9 | 147.3 | 59.3 | -103.2 | 0 | 0 | 0 | 121.2 | | |
| 244 | S | 28.3 | Very low | 30.6 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | | 173.4 | 121.6 | 107 | -76 | 0 | 0 | 0 | 0 | 112.6 | L246 | S244-L246 PolarHBondContact O-N 3.41Š|
| 245 | S | 29.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -84.2 | 99.7 | 170 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 246 | L | 29.4 | Very low | 30 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | -92.8 | 94.8 | 168.4 | -73 | 177.3 | 0 | 0 | 0 | 110.6 | S244 | S244-L246 PolarHBondContact O-N 3.41Š|
| 247 | L | 32.5 | Very low | 30 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -74.9 | 137.3 | 162.2 | -67.6 | 173.8 | 0 | 0 | 0 | 109.6 | Q249 | L247-Q249 HydrophobicContact CB-CG 4.46Å; L247-Q249 PolarHBondContact O-N 2.92Å |
| 248 | P | 31.8 | Very low | 29.9 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 78.2 | 157.9 | -6.6 | 24 | 0 | 0 | 0 | 108.8 | V250 | P248-V250 PolarHBondContact O-N 2.58Š|
| 249 | Q | 30.5 | Very low | 30 | Very low | 142 Ų | 142 | 139 Ų | 139 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | trans | -70.3 | 109.1 | 167 | -90.4 | -159.6 | -44.7 | 0 | 0 | 109.5 | L247 L251 | L247-Q249 HydrophobicContact CB-CG 4.46Å; L247-Q249 PolarHBondContact O-N 2.92Å; Q249-L251 PolarHBondContact O-N 3.36Å |
| 250 | V | 34.5 | Very low | 29.8 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | | | trans | -81.8 | 93.3 | 155.5 | -179.2 | 0 | 0 | 0 | 0 | 106.7 | P248 | P248-V250 PolarHBondContact O-N 2.58Š|
| 251 | L | 30.6 | Very low | 29.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | | | trans | -112.8 | 142.8 | 174.7 | -160.5 | 147.9 | 0 | 0 | 0 | 108.8 | Q249 Q253 | Q249-L251 PolarHBondContact O-N 3.36Å; L251-Q253 PolarHBondContact O-N 2.76Å |
| 252 | H | 32.8 | Very low | 29.5 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | | | trans | -46.2 | 128.3 | 178.1 | -88.6 | 136.3 | 0 | 0 | 0 | 112.5 | | |
| 253 | Q | 25.8 | Very low | 29.6 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -91.3 | 93.7 | 153.3 | -168.8 | 179.3 | 115.5 | 0 | 0 | 108.6 | L251 Y255 | L251-Q253 PolarHBondContact O-N 2.76Å; Q253-Y255 HydrophobicContact CG-CD2 4.18Å |
| 254 | S | 25.3 | Very low | 29.7 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | -69.2 | 144.8 | 153.4 | 44 | 0 | 0 | 0 | 0 | 109 | | |
| 255 | Y | 24.6 | Very low | 29.7 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -127.3 | 119.5 | 166.2 | -131 | -86.3 | 0 | 0 | 0 | 108.9 | Q253 | Q253-Y255 HydrophobicContact CG-CD2 4.18Š|
| 256 | S | 27.4 | Very low | 29.7 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | -121.3 | 118.3 | -178.9 | 55 | 0 | 0 | 0 | 0 | 110 | | |
| 257 | S | 30.7 | Very low | 29.6 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 41.8 | 122.9 | 150.3 | -54.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 258 | Q | 28 | Very low | 29.6 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | -125.1 | 121.3 | 144.7 | -170.7 | 170.2 | 94.4 | 0 | 0 | 109.7 | | |
| 259 | Q | 34.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -103.7 | 151.7 | 164.2 | -62.6 | -179 | 5.7 | 0 | 0 | 108.5 | | |
| 260 | H | 27.5 | Very low | 29.3 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 89% | 0.889 | 78% | 0.783 | S | S | * | * | | | trans | -140.8 | 149 | 145.8 | -103.1 | -90.1 | 0 | 0 | 0 | 108.2 | | |
| 261 | A | 30.3 | Very low | 29 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -121.5 | 170.2 | -152.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 262 | G | 26.9 | Very low | 28.8 | Very low | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | 166.6 | 96.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 263 | S | 31.1 | Very low | 28.6 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | 51.4 | 147.1 | 141 | -85.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 264 | T | 30.8 | Very low | 28.7 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | cis | -135 | -179.5 | -0.4 | 53 | 0 | 0 | 0 | 0 | 107.2 | | |
| 265 | L | 28.1 | Very low | 29 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | cis | -159.9 | 160.3 | 34.3 | 179.3 | 62.3 | 0 | 0 | 0 | 110 | | |
| 266 | A | 29.6 | Very low | 29.7 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 51% | 0.512 | 79% | 0.786 | S | S | . | * | | | trans | -81.5 | 151.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 267 | T | 29.1 | Very low | 29.7 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | -143.1 | 133.1 | 138.3 | -44.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 268 | H | 31 | Very low | 29.7 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 70% | 0.704 | 79% | 0.79 | S | S | * | * | | | trans | -114.4 | 134.4 | -174.2 | 17.2 | -113.5 | 0 | 0 | 0 | 109.7 | | |
| 269 | T | 30.4 | Very low | 29.6 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | -147.1 | 112.1 | 160.1 | 41.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 270 | S | 27.3 | Very low | 30.1 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -105.6 | 125.2 | 175.4 | -57 | 0 | 0 | 0 | 0 | 110.5 | | |
| 271 | F | 27.1 | Very low | 30.1 | Very low | 193 Ų | 193 | 126.2 Ų | 126.2 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -168.2 | 157.3 | 148.8 | 47.8 | -100.9 | 0 | 0 | 0 | 110.6 | | |
| 272 | S | 27.3 | Very low | 29.9 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | cis | -168.9 | 151.9 | -45.8 | -169.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 273 | S | 26.9 | Very low | 30.1 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -57.2 | 148.9 | 179 | -171 | 0 | 0 | 0 | 0 | 113.3 | | |
| 274 | V | 29.3 | Very low | 30.1 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | -111.2 | 124.9 | 168.6 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 275 | Q | 31.1 | Very low | 30.1 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | trans | -127.2 | 158 | 165.8 | -103.6 | -167.4 | -9.9 | 0 | 0 | 110.6 | | |
| 276 | P | 38.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | trans | -109.9 | 168.3 | -165.4 | 42.6 | -36.2 | 0 | 0 | 0 | 114.9 | | |
| 277 | V | 28.2 | Very low | 30.1 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 72.1 | 135.2 | 165.4 | 179.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 278 | T | 29.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | | | cis | -154.9 | 168.4 | 46.9 | -29.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 279 | L | 27.3 | Very low | 30.1 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -64.9 | 176.8 | 162.4 | -116.5 | 64.5 | 0 | 0 | 0 | 112.4 | | |
| 280 | P | 44 | Very low | 30.7 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | | | cis | -141.6 | -172.9 | 11.3 | 43 | -23.6 | 0 | 0 | 0 | 118.4 | | |
| 281 | S | 27.1 | Very low | 30.8 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 76.7 | 148.9 | 153.6 | 76.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 282 | Q | 27.9 | Very low | 30.9 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | cis | -165.8 | 151.2 | -21.2 | -179.1 | -167 | 90.1 | 0 | 0 | 108.5 | | |
| 283 | S | 30.5 | Very low | 31 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | 67.9 | 161.3 | 169.2 | 2.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 284 | S | 30 | Very low | 31.1 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | cis | -153.4 | 175.6 | -14.9 | -150.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 285 | I | 31.6 | Very low | 31 | Very low | 158 Ų | 158 | 127 Ų | 127 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | 2.1 | 123.3 | 155 | -58.3 | 157 | 0 | 0 | 0 | 115 | | |
| 286 | G | 28.7 | Very low | 30.9 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | cis | 106.1 | 121.5 | 26.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 287 | G | 29.5 | Very low | 30.6 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | 156.3 | 100.3 | 178 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 288 | L | 31.6 | Very low | 31.3 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | | | trans | 38.7 | 133.5 | 136.7 | -57.2 | 174.6 | 0 | 0 | 0 | 123 | | |
| 289 | Q | 27.5 | Very low | 31.4 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | | | trans | -49.5 | 163.5 | 148.9 | -123.7 | -150 | 56.2 | 0 | 0 | 112.3 | H291 | Q289-H291 PolarHBondContact OE1-ND1 3.4Š|
| 290 | P | 44.4 | Very low | 31.5 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | | -153.3 | -175.5 | 54.5 | 43.1 | -21 | 0 | 0 | 0 | 118.5 | | |
| 291 | H | 27.6 | Very low | 30.8 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | 14.4 | 157.2 | 143.7 | -76.6 | 63.7 | 0 | 0 | 0 | 122.5 | Q289 | Q289-H291 PolarHBondContact OE1-ND1 3.4Š|
| 292 | A | 29.5 | Very low | 30.8 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | cis | 178.8 | 161.4 | -19.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 293 | A | 29.8 | Very low | 30.8 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | 70.5 | 173.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 294 | Q | 29.3 | Very low | 30.7 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | 77.7 | 111.7 | -169.6 | -50.6 | -80.5 | 21.7 | 0 | 0 | 113.9 | | |
| 295 | S | 27.1 | Very low | 31.8 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | cis | 82.2 | 117.1 | 20.6 | -159.9 | 0 | 0 | 0 | 0 | 117 | | |
| 296 | V | 29.8 | Very low | 31.6 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | 179.1 | 158.1 | 140.6 | 144.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 297 | L | 32.7 | Very low | 31.7 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -92.3 | 172.8 | -170.6 | -55.1 | 166.7 | 0 | 0 | 0 | 113.6 | V299 | L297-V299 HydrophobicContact CB-CG2 4.35Å; L297-V299 HydrophobicContact CD1-CG2 4.36Å |
| 298 | P | 42.8 | Very low | 31.5 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | | -133 | 157.8 | 78.8 | 39 | -25.2 | 0 | 0 | 0 | 112.8 | | |
| 299 | V | 30.4 | Very low | 31.5 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | | | cis | 67.5 | 128.4 | 46.2 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | L297 | L297-V299 HydrophobicContact CB-CG2 4.35Å; L297-V299 HydrophobicContact CD1-CG2 4.36Å |
| 300 | G | 29.1 | Very low | 31.7 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | cis | -175.1 | 132.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 301 | Q | 29.3 | Very low | 31.1 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | | 68.7 | 109.1 | 90.2 | -170 | -175.5 | 77.8 | 0 | 0 | 116.7 | | |
| 302 | N | 28.5 | Very low | 31.3 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | 159.4 | 147.4 | 137.2 | -85.4 | -41.2 | 0 | 0 | 0 | 111.4 | | |
| 303 | G | 28.2 | Very low | 31.2 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | cis | -166.3 | 172.1 | 0.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 304 | L | 28.4 | Very low | 31.3 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -91.2 | -169.3 | 176.5 | -90.7 | 157.9 | 0 | 0 | 0 | 109.9 | | |
| 305 | P | 52.1 | Low | 31.9 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | cis | -145.5 | -166.8 | 16.2 | 42.8 | -20.4 | 0 | 0 | 0 | 118.1 | | |
| 306 | H | 27.1 | Very low | 31.9 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | 103.2 | 135.7 | 172.9 | -71 | -93.2 | 0 | 0 | 0 | 115.2 | | |
| 307 | S | 31.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | cis | 155.3 | 133.9 | -23.5 | -94.1 | 0 | 0 | 0 | 0 | 106 | | |
| 308 | E | 24.4 | Very low | 33 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | 137.3 | 108.6 | 147.4 | -165 | 150.1 | 137.2 | 0 | 0 | 115.5 | | |
| 309 | V | 32.2 | Very low | 33.4 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | 54.8 | 145.4 | 137 | 167.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 310 | H | 30.6 | Very low | 34 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | cis | 178.7 | 160.9 | -17.1 | -174.5 | -150.3 | 0 | 0 | 0 | 109.6 | | |
| 311 | I | 32.5 | Very low | 34 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | | | trans | 66.7 | 160 | 163.6 | -70.8 | -71.6 | 0 | 0 | 0 | 118.5 | | |
| 312 | Q | 31.7 | Very low | 34.2 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | -165.9 | 170 | -53.3 | -150.5 | 172.4 | 36.3 | 0 | 0 | 108.7 | | |
| 313 | K | 28.6 | Very low | 34.5 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -110.7 | 136.1 | -173 | 174.9 | 178.3 | 178.8 | 175.6 | 0 | 113 | | |
| 314 | S | 31.2 | Very low | 34.6 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -158.2 | 151.2 | 157.1 | -90 | 0 | 0 | 0 | 0 | 111.8 | | |
| 315 | P | 42 | Very low | 34.9 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -95.1 | 168.1 | -177.8 | 38 | -35.5 | 0 | 0 | 0 | 114.2 | | |
| 316 | M | 27.2 | Very low | 34.3 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -130.6 | 147.3 | 177.5 | -169.7 | 72.2 | 84 | 0 | 0 | 110.9 | | |
| 317 | M | 41.6 | Very low | 34.6 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 166.6 | 179.4 | -95.9 | -137 | -58.8 | 0 | 0 | 113.6 | | |
| 318 | P | 43.1 | Very low | 35.3 | Very low | 108 Ų | 108 | 150 Ų | 150 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 163.7 | 179.3 | 30.3 | -36.9 | 0 | 0 | 0 | 114.4 | | |
| 319 | P | 52.3 | Low | 35.7 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 144.3 | -168.4 | 34.8 | -35.6 | 0 | 0 | 0 | 115.2 | | |
| 320 | P | 42.7 | Very low | 35.7 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 161.7 | 167.4 | 36.3 | -33.7 | 0 | 0 | 0 | 113.4 | | |
| 321 | Y | 28 | Very low | 35.7 | Very low | 234 Ų | 234 | 145 Ų | 145 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 162.3 | 171.8 | -91.3 | -104.5 | 0 | 0 | 0 | 113.1 | | |
| 322 | V | 33.7 | Very low | 35.5 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -125.2 | 124.1 | -177.3 | -162.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 323 | P | 35.3 | Very low | 35.3 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -96.6 | 149.5 | 155.9 | -7 | 27 | 0 | 0 | 0 | 111.9 | | |
| 324 | Q | 31.1 | Very low | 35.2 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | -72.8 | 151.8 | -178.1 | -76.8 | -78.1 | -4.3 | 0 | 0 | 113.9 | | |
| 325 | Q | 33 | Very low | 35.1 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -116.1 | 145.5 | 180 | -170.8 | -177.3 | 6.7 | 0 | 0 | 112.1 | | |
| 326 | P | 40.4 | Very low | 34.5 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -80.4 | 169.2 | 173.5 | -10.6 | 28.3 | 0 | 0 | 0 | 114.5 | | |
| 327 | V | 33.4 | Very low | 34.7 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | -127.2 | 158.9 | 173.5 | -93.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 328 | P | 46.6 | Very low | 34.2 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | -118 | 170 | -132.4 | 40.4 | -32.4 | 0 | 0 | 0 | 117 | | |
| 329 | G | 33.6 | Very low | 33.6 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -142.1 | 144.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 330 | V | 31.3 | Very low | 32.8 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | | | trans | -108.4 | 163.7 | -156.9 | -157.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 331 | H | 30.4 | Very low | 32.3 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | 77.3 | 156.6 | 163.5 | -62.2 | -69.3 | 0 | 0 | 0 | 118.7 | | |
| 332 | L | 27.8 | Very low | 32.5 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | cis | -172 | 121.9 | -30.5 | -175.3 | 71.3 | 0 | 0 | 0 | 109.8 | | |
| 333 | I | 28.4 | Very low | 32.3 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | | | trans | 42.7 | 136.4 | 157.2 | -45 | 160.9 | 0 | 0 | 0 | 119.8 | | |
| 334 | T | 27 | Very low | 32 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | | 154.9 | 126.4 | 123.6 | -60.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 335 | S | 27.4 | Very low | 32.1 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | trans | 62 | 126.2 | 148.5 | 77.4 | 0 | 0 | 0 | 0 | 126.1 | | |
| 336 | Q | 30.8 | Very low | 31.9 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | 76.3 | 105.4 | 122.1 | -72.2 | -165.7 | 124.4 | 0 | 0 | 124.7 | | |
| 337 | S | 31.3 | Very low | 31.3 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | | | | 59.5 | 133.9 | 115.8 | 73.1 | 0 | 0 | 0 | 0 | 124.4 | | |
| 338 | S | 30.5 | Very low | 30.9 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | 64.6 | 139.3 | 151.6 | -54.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 339 | G | 31.4 | Very low | 30.7 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | cis | 178 | -179.2 | 0.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 340 | L | 34.8 | Very low | 30.7 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | cis | -165 | 159.2 | 4.8 | -165.4 | 157.7 | 0 | 0 | 0 | 107.2 | | |
| 341 | A | 33.1 | Very low | 31.5 | Very low | 85 Ų | 85 | 149.9 Ų | 149.9 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | 83 | 145.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 342 | Q | 31.1 | Very low | 31.5 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | cis | -133 | 170 | 3.5 | -93.4 | -150.9 | 3.5 | 0 | 0 | 114.3 | | |
| 343 | H | 29.9 | Very low | 32.4 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -55.2 | 144.4 | 171.6 | -84.1 | 177.3 | 0 | 0 | 0 | 115.9 | | |
| 344 | Q | 28.9 | Very low | 32.5 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | | | | -150.8 | 176.2 | 97.4 | -125.5 | 179.7 | 13.8 | 0 | 0 | 111.4 | | |
| 345 | K | 32.5 | Very low | 32.7 | Very low | 209 Ų | 209 | 147.7 Ų | 147.7 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -117 | 154.9 | -156.8 | -160.3 | 167.2 | -175.8 | 177.3 | 0 | 113.8 | | |
| 346 | E | 28.4 | Very low | 32.7 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | | | trans | -125.3 | 151 | -160.3 | 166.6 | 175.2 | -179.7 | 0 | 0 | 112.5 | | |
| 347 | Y | 28.3 | Very low | 33.4 | Very low | 221 Ų | 221 | 148.3 Ų | 148.3 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | 41.4 | 153.5 | 165.1 | -108.6 | -101.3 | 0 | 0 | 0 | 122.2 | | |
| 348 | Y | 25.8 | Very low | 33.3 | Very low | 211 Ų | 211 | 149 Ų | 149 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | | | trans | -131.8 | 129.4 | 171.8 | -160.3 | -76.3 | 0 | 0 | 0 | 110.9 | | |
| 349 | P | 42.9 | Very low | 33.2 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 68% | 0.675 | 82% | 0.818 | S | S | * | * | | | trans | -105 | 168.2 | 180 | 38.5 | -33.8 | 0 | 0 | 0 | 115.4 | | |
| 350 | Q | 32.9 | Very low | 33.2 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | | | trans | -45.7 | 141.5 | 174.3 | 178.1 | -177.1 | 3.9 | 0 | 0 | 116.7 | | |
| 351 | P | 48.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | | | trans | -106.4 | 153.9 | 172.6 | 38 | -32.1 | 0 | 0 | 0 | 115.4 | | |
| 352 | Q | 28.8 | Very low | 33.6 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | | | trans | -136 | 158 | 156.2 | -85.4 | -167.4 | -12.9 | 0 | 0 | 109.5 | | |
| 353 | P | 47.4 | Very low | 33.5 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -111.4 | 140.8 | -166.7 | 38 | -29.7 | 0 | 0 | 0 | 116.2 | | |
| 354 | A | 30.2 | Very low | 33.6 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | trans | -164.3 | 121.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 355 | S | 30.7 | Very low | 33.8 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | 59.9 | 102.8 | 133.6 | -55.8 | 0 | 0 | 0 | 0 | 124.7 | | |
| 356 | I | 29 | Very low | 33.6 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | 50.7 | 164.1 | 133.4 | 36.4 | 171 | 0 | 0 | 0 | 122.3 | | |
| 357 | P | 44.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | cis | -134.5 | 167.7 | -3.6 | 38.6 | -20.4 | 0 | 0 | 0 | 118.5 | | |
| 358 | A | 29 | Very low | 34.8 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | | | trans | 59.1 | 132.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 359 | G | 28.4 | Very low | 35.1 | Very low | 83 Ų | 83 | 124.3 Ų | 124.3 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 179.7 | 97.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 360 | L | 31.9 | Very low | 34.5 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -103.4 | 173.5 | 176 | -92.6 | 162 | 0 | 0 | 0 | 110.2 | | |
| 361 | P | 46.9 | Very low | 34.3 | Very low | 128 Ų | 128 | 121 Ų | 121 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | cis | -129.1 | -173.8 | 23.6 | 42.7 | -25.3 | 0 | 0 | 0 | 114.3 | | |
| 362 | G | 28.1 | Very low | 33.3 | Very low | 70 Ų | 70 | 123.6 Ų | 123.6 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | cis | 176.6 | 178.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 363 | G | 29.8 | Very low | 33.1 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | cis | 175.2 | -168.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 364 | Q | 31.7 | Very low | 32.3 | Very low | 177 Ų | 177 | 119.2 Ų | 119.2 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | 71.6 | 158 | -174.8 | -52.8 | -170 | 92.3 | 0 | 0 | 114.1 | | |
| 365 | Q | 32.4 | Very low | 32.3 | Very low | 165 Ų | 165 | 119 Ų | 119 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | | | cis | -161.4 | 162.6 | -19.6 | -113 | -165.4 | 81.7 | 0 | 0 | 106.2 | | |
| 366 | A | 29.8 | Very low | 32.2 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 60% | 0.603 | 80% | 0.799 | S | S | * | * | | | cis | -155.8 | -173.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 367 | L | 31.9 | Very low | 32.2 | Very low | 166 Ų | 166 | 115.3 Ų | 115.3 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -137.1 | 169.3 | 168.2 | -60.9 | 171.1 | 0 | 0 | 0 | 108.9 | | |
| 368 | P | 48.7 | Very low | 31.4 | Very low | 130 Ų | 130 | 113.3 Ų | 113.3 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | | | | -140.1 | 169.4 | 78.8 | 37.5 | -21.4 | 0 | 0 | 0 | 114.8 | | |
| 369 | A | 32.6 | Very low | 31.5 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -120.1 | 162.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 370 | S | 31.1 | Very low | 31.8 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -179.2 | 152.4 | 143.6 | -85.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 371 | S | 28.3 | Very low | 32.6 | Very low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | 59.9 | 110.2 | 141.4 | 62.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 372 | L | 27.7 | Very low | 32.1 | Very low | 171 Ų | 171 | 118 Ų | 118 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | | 47.1 | 127.5 | 113.1 | -60 | 164.3 | 0 | 0 | 0 | 120.8 | | |
| 373 | S | 25.5 | Very low | 33 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | | 141.1 | 169.9 | 111.4 | -159 | 0 | 0 | 0 | 0 | 115.5 | | |
| 374 | A | 29.3 | Very low | 32.9 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 78.9 | 156.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 375 | A | 30.5 | Very low | 33.1 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -140 | -162.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 376 | S | 29.6 | Very low | 33.3 | Very low | 130 Ų | 130 | 115.7 Ų | 115.7 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | 80.7 | 149.9 | -174.5 | 80.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 377 | G | 28.4 | Very low | 33.4 | Very low | 63 Ų | 63 | 118.8 Ų | 118.8 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | cis | 176.1 | 84.9 | -6.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | H379 | G377-H379 PolarHBondContact O-ND1 3.28Š|
| 378 | G | 28.6 | Very low | 33.3 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | 72.2 | -170.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 379 | H | 31 | Very low | 32.8 | Very low | 175 Ų | 175 | 118.6 Ų | 118.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | 65.9 | 91.7 | 167.4 | 75.1 | -79.8 | 0 | 0 | 0 | 122.5 | G377 | G377-H379 PolarHBondContact O-ND1 3.28Š|
| 380 | I | 34.1 | Very low | 32.8 | Very low | 160 Ų | 160 | 119 Ų | 119 | 82% | 0.821 | 80% | 0.802 | S | S | * | * | | | | -3.2 | 142.5 | 122.1 | -70.7 | 165.5 | 0 | 0 | 0 | 115.6 | | |
| 381 | P | 49.8 | Very low | 32.7 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | cis | -140.9 | -175.2 | 34.6 | 34.5 | -11.7 | 0 | 0 | 0 | 118.6 | | |
| 382 | T | 35.2 | Very low | 32.8 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -67.2 | 159 | 159.1 | 46.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 383 | P | 46.6 | Very low | 33 | Very low | 134 Ų | 134 | 117.7 Ų | 117.7 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | | | | -143.8 | -158 | 90.6 | 39.7 | -21.9 | 0 | 0 | 0 | 113.5 | | |
| 384 | A | 29.4 | Very low | 33.2 | Very low | 89 Ų | 89 | 114.8 Ų | 114.8 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -130.1 | 162 | -162.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 385 | S | 35.9 | Very low | 34.2 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | 73.2 | 137.4 | 150.4 | -61.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 386 | G | 34.9 | Very low | 34.2 | Very low | 76 Ų | 76 | 115.7 Ų | 115.7 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | 117.1 | 146.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 387 | V | 32.9 | Very low | 34.1 | Very low | 138 Ų | 138 | 116.1 Ų | 116.1 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | cis | -166.5 | 149.7 | -6.7 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 388 | S | 29.7 | Very low | 34.1 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 168.9 | 115.2 | 147.5 | -76.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 389 | Q | 37.3 | Very low | 33.9 | Very low | 189 Ų | 189 | 118.3 Ų | 118.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | | 63.2 | 133.4 | 85.5 | -84.1 | -166.3 | -10.1 | 0 | 0 | 115.2 | | |
| 390 | A | 33.3 | Very low | 33.7 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | cis | -155 | 161.8 | -5.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 391 | G | 27.9 | Very low | 33.4 | Very low | 79 Ų | 79 | 113 Ų | 113 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | | | cis | -169.3 | -143.9 | 2.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 392 | D | 31.8 | Very low | 32.3 | Very low | 156 Ų | 156 | 112.7 Ų | 112.7 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | cis | 167.8 | 138 | -37.2 | -175.1 | -134 | 0 | 0 | 0 | 105.7 | | |
| 393 | V | 30.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | cis | -105.5 | -167.7 | 6.1 | -68 | 0 | 0 | 0 | 0 | 110.9 | | |
| 394 | G | 29.7 | Very low | 30.9 | Very low | 61 Ų | 61 | 108.9 Ų | 108.9 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | | | cis | 94.4 | 158.3 | 9.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 395 | P | 49.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 110.6 Ų | 110.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | cis | -131.1 | -168.8 | 0.9 | 44.6 | -28.6 | 0 | 0 | 0 | 114.9 | | |
| 396 | A | 30.7 | Very low | 33 | Very low | 82 Ų | 82 | 109.7 Ų | 109.7 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | 68.3 | 118.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 397 | V | 28.3 | Very low | 33.2 | Very low | 139 Ų | 139 | 110.6 Ų | 110.6 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | cis | 84.5 | 144.6 | 36.9 | -45.5 | 0 | 0 | 0 | 0 | 117 | | |
| 398 | A | 28.4 | Very low | 34.3 | Very low | 104 Ų | 104 | 109 Ų | 109 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | 69.6 | 140.4 | 173 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 399 | G | 24.7 | Very low | 34.5 | Very low | 78 Ų | 78 | 112.9 Ų | 112.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -125.9 | 149 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 400 | A | 27.4 | Very low | 34.3 | Very low | 92 Ų | 92 | 109.2 Ų | 109.2 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -159.5 | 137.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 401 | V | 26.7 | Very low | 34.3 | Very low | 131 Ų | 131 | 110.8 Ų | 110.8 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | 42 | 124.1 | 147.6 | -53 | 0 | 0 | 0 | 0 | 122.7 | | |
| 402 | S | 25.8 | Very low | 34.6 | Very low | 110 Ų | 110 | 109.8 Ų | 109.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | | 52.6 | 112.2 | 124.5 | -53.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 403 | A | 27.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 112.6 Ų | 112.6 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | | 69.9 | 130.5 | 122.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 404 | G | 25.7 | Very low | 34.5 | Very low | 73 Ų | 73 | 110.2 Ų | 110.2 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | 157.6 | 125.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 405 | P | 56.7 | Low | 34.6 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -101.3 | -163.7 | 170.6 | 44.1 | -37.2 | 0 | 0 | 0 | 110.6 | | |
| 406 | P | 52.2 | Low | 35.2 | Very low | 112 Ų | 112 | 113.6 Ų | 113.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -141.9 | 152.5 | -1 | 39.4 | -19.8 | 0 | 0 | 0 | 119.1 | | |
| 407 | A | 40.3 | Very low | 35.4 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 58.6 | -178.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 408 | P | 55.1 | Low | 35.4 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | cis | -141.6 | 160.5 | -4.2 | 45.4 | -27.9 | 0 | 0 | 0 | 119 | | |
| 409 | Q | 35.1 | Very low | 35.5 | Very low | 185 Ų | 185 | 118.5 Ų | 118.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | 65 | 163.7 | 159 | -22.1 | -161 | 29 | 0 | 0 | 119.9 | | |
| 410 | T | 32.5 | Very low | 36.8 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | | | cis | -155.7 | 159.4 | 2.4 | -152.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 411 | V | 33.3 | Very low | 36.8 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | 55.1 | 134.7 | 164.6 | -179.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 412 | G | 33.9 | Very low | 37.1 | Very low | 57 Ų | 57 | 122.8 Ų | 122.8 | 59% | 0.588 | 77% | 0.766 | S | S | * | * | | | cis | 161 | 150.3 | -11.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 413 | F | 33 | Very low | 37.4 | Very low | 216 Ų | 216 | 124 Ų | 124 | 95% | 0.947 | 77% | 0.769 | S | S | * | * | | | trans | 62.8 | 142.9 | 165.7 | -57.3 | -83.9 | 0 | 0 | 0 | 119.6 | | |
| 414 | G | 28.5 | Very low | 37.5 | Very low | 69 Ų | 69 | 123.2 Ų | 123.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | cis | -163.4 | 179.2 | 2.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 415 | V | 31.4 | Very low | 37.7 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | -139.8 | -159 | -171.5 | -119.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 416 | P | 61.2 | Low | 36.6 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | -136.4 | -150.6 | -2.7 | 38.2 | -15.2 | 0 | 0 | 0 | 114.3 | | |
| 417 | V | 35.8 | Very low | 35.4 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 109.7 | 124.4 | 163.3 | 177.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 418 | L | 29.1 | Very low | 34.8 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | cis | -157.9 | -169 | -15.6 | -123.6 | 176.9 | 0 | 0 | 0 | 111.4 | | |
| 419 | L | 29.2 | Very low | 35 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -146.7 | -167.6 | -179.8 | -123.3 | 75.9 | 0 | 0 | 0 | 109.1 | | |
| 420 | P | 52.3 | Low | 34.7 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | cis | -123 | -132.1 | 7.8 | 24.2 | 4.8 | 0 | 0 | 0 | 112.9 | | |
| 421 | L | 27.9 | Very low | 34.7 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | cis | -169.8 | 135 | 7.8 | -167.9 | 59.9 | 0 | 0 | 0 | 115.6 | | |
| 422 | Q | 33.4 | Very low | 34.4 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | 60.2 | 170.2 | 152 | -72.1 | 163.4 | -8.4 | 0 | 0 | 123.1 | | |
| 423 | T | 31.6 | Very low | 35.3 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | | 160.4 | 129 | -56.2 | -75.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 424 | A | 28.7 | Very low | 35.2 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | trans | -171.8 | 170.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 425 | S | 30 | Very low | 36.2 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -162.7 | -178.7 | -174.8 | -53.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 426 | Q | 33.3 | Very low | 36.3 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | 97 | 153.8 | 164.5 | -58.9 | 174.5 | 5.6 | 0 | 0 | 118.6 | | |
| 427 | Y | 28.3 | Very low | 34.7 | Very low | 207 Ų | 207 | 134.1 Ų | 134.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | cis | -153.3 | 175.3 | 6.6 | -124.7 | -59.4 | 0 | 0 | 0 | 113.3 | | |
| 428 | A | 28.1 | Very low | 34.5 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | trans | -160.7 | -168.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 429 | P | 59 | Low | 35.6 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | cis | -142.1 | -163.1 | -1 | 45.6 | -24.5 | 0 | 0 | 0 | 117.1 | | |
| 430 | A | 28.6 | Very low | 35.7 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -163.3 | 162.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 431 | V | 31.9 | Very low | 34.6 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -167.1 | 158.5 | -178.7 | 90.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 432 | Q | 27.7 | Very low | 34.7 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | 68 | 170.8 | 156.3 | -83 | -173 | -57.9 | 0 | 0 | 124.1 | | |
| 433 | P | 52 | Low | 34.6 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | cis | -134.6 | -156.3 | -38 | 39.4 | -18.9 | 0 | 0 | 0 | 115.5 | | |
| 434 | Q | 30.3 | Very low | 34.5 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -142 | -174.5 | -171.8 | -77.2 | -75.9 | -3.8 | 0 | 0 | 111.8 | | |
| 435 | P | 50.7 | Low | 34.7 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | cis | -143.8 | -156.1 | 5 | 45.2 | -23.3 | 0 | 0 | 0 | 117.1 | | |
| 436 | M | 32.6 | Very low | 34.8 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 94% | 0.941 | 80% | 0.8 | S | S | * | * | | | trans | 110.5 | 123.4 | 146.8 | -154.4 | 71.6 | 159.5 | 0 | 0 | 121.9 | | |
| 437 | G | 28.2 | Very low | 34.6 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | 126.2 | 148.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 438 | H | 31.6 | Very low | 35 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -155.1 | 161.3 | 174.5 | 37.2 | -120 | 0 | 0 | 0 | 110.4 | | |
| 439 | P | 52.2 | Low | 34.9 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | cis | -150.7 | 175 | 40.8 | 44.4 | -23.4 | 0 | 0 | 0 | 120.9 | | |
| 440 | A | 30.3 | Very low | 33.4 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | trans | 56.1 | 117.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 441 | A | 30.3 | Very low | 33.3 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | | 176.2 | 128.2 | 112.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 442 | T | 30.8 | Very low | 33.2 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | | | trans | 21.1 | 126.6 | 154.5 | 55.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 443 | G | 30.5 | Very low | 33.1 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | 169.9 | 56.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 444 | V | 30.1 | Very low | 32.2 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | 44.1 | 144.7 | 154.1 | -120.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 445 | Q | 32.1 | Very low | 32.2 | Very low | 168 Ų | 168 | 122.8 Ų | 122.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | 86.2 | 95.2 | 159.1 | -58.6 | -86.9 | 61.9 | 0 | 0 | 120.8 | | |
| 446 | N | 31.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 122 Ų | 122 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | | | trans | 37.1 | 84.5 | 144.6 | -71.4 | 22.4 | 0 | 0 | 0 | 123.4 | | |
| 447 | V | 30.1 | Very low | 31.8 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | | 36.2 | 115.8 | 111.5 | -172.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 448 | P | 35.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 122 Ų | 122 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | trans | -100.3 | -173.1 | 145.4 | 38 | -31 | 0 | 0 | 0 | 112.5 | | |
| 449 | A | 26.5 | Very low | 31.6 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | trans | -99.9 | 175 | -156.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 450 | V | 27.4 | Very low | 30.6 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | trans | 79.2 | 136.9 | 164.1 | -173 | 0 | 0 | 0 | 0 | 118 | | |
| 451 | G | 25.9 | Very low | 30.4 | Very low | 74 Ų | 74 | 116 Ų | 116 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | 154.1 | 89.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 452 | V | 30.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 116 Ų | 116 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -42.9 | 150.5 | 170.4 | 177.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 453 | G | 26.2 | Very low | 30.3 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | | | trans | -160 | 106.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 454 | S | 32.9 | Very low | 30.1 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -100 | 144.1 | -179.7 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 455 | S | 29.1 | Very low | 30 | Very low | 127 Ų | 127 | 113 Ų | 113 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -168.1 | 134.5 | 144.7 | 12.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 456 | A | 31.1 | Very low | 29.9 | Very low | 95 Ų | 95 | 110 Ų | 110 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | -96.5 | 178.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 457 | P | 44 | Very low | 29.8 | Very low | 114 Ų | 114 | 107.9 Ų | 107.9 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | | | | -151 | -175.9 | 65 | 35.2 | -11.4 | 0 | 0 | 0 | 116.6 | | |
| 458 | V | 29.3 | Very low | 29.8 | Very low | 147 Ų | 147 | 106.6 Ų | 106.6 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | | | trans | 72.9 | 126.6 | 165.8 | -162.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 459 | G | 27.6 | Very low | 29.6 | Very low | 69 Ų | 69 | 105.4 Ų | 105.4 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | cis | 164.6 | 165.9 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 460 | A | 29.8 | Very low | 29.8 | Very low | 103 Ų | 103 | 105.9 Ų | 105.9 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | | | trans | 76 | 100.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 461 | A | 27.6 | Very low | 30.2 | Very low | 102 Ų | 102 | 103.6 Ų | 103.6 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | | 97.7 | 155.4 | 115.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 462 | A | 29.2 | Very low | 30.4 | Very low | 96 Ų | 96 | 104.6 Ų | 104.6 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | | | trans | 67.2 | 102.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 463 | A | 28.6 | Very low | 30.7 | Very low | 94 Ų | 94 | 103.9 Ų | 103.9 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | | | | 73.1 | 101.3 | 73.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 464 | A | 26.8 | Very low | 31.1 | Very low | 105 Ų | 105 | 107.5 Ų | 107.5 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | | | | 78.8 | 102.6 | 64 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 465 | A | 28.9 | Very low | 31 | Very low | 99 Ų | 99 | 107.5 Ų | 107.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -161.5 | 123.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 466 | A | 29.7 | Very low | 31 | Very low | 105 Ų | 105 | 105.7 Ų | 105.7 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | | | trans | 39.6 | 131.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 467 | A | 28.8 | Very low | 30.8 | Very low | 101 Ų | 101 | 106.4 Ų | 106.4 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | -87.3 | 160.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 468 | A | 30 | Very low | 30.2 | Very low | 106 Ų | 106 | 106.7 Ų | 106.7 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | -170.6 | 148.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 469 | A | 31.4 | Very low | 30.1 | Very low | 100 Ų | 100 | 103.9 Ų | 103.9 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -57.4 | 164.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 470 | A | 30.7 | Very low | 30.2 | Very low | 103 Ų | 103 | 107.1 Ų | 107.1 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | | 170.8 | 150.3 | 103.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 471 | A | 36.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 110.5 Ų | 110.5 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -105.1 | 148.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 472 | A | 30.5 | Very low | 30.4 | Very low | 95 Ų | 95 | 111.5 Ų | 111.5 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -154.5 | 148.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 473 | V | 35.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 114.7 Ų | 114.7 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | | | trans | -145 | 161.8 | -179.9 | -167.8 | 0 | 0 | 0 | 0 | 109 | | |
| 474 | L | 35.4 | Very low | 30.5 | Very low | 156 Ų | 156 | 114.1 Ų | 114.1 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | 80.9 | 152 | 171.1 | -48.7 | 172 | 0 | 0 | 0 | 116.5 | | |
| 475 | S | 29.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | cis | -178.8 | 154.9 | -27.6 | -93 | 0 | 0 | 0 | 0 | 109 | | |
| 476 | A | 30.2 | Very low | 30.7 | Very low | 90 Ų | 90 | 117.5 Ų | 117.5 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | | | cis | -130.7 | -114.3 | -12.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 477 | S | 27.1 | Very low | 30.6 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | cis | -155.7 | 174.6 | 10 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 478 | S | 30.1 | Very low | 30.6 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -40.4 | 139.3 | -179.6 | -47.1 | 0 | 0 | 0 | 0 | 120 | | |
| 479 | A | 27.3 | Very low | 30.8 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | | 174.3 | 149.9 | 106.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 480 | T | 31.6 | Very low | 31.5 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | 71.5 | 127.3 | 157 | -8.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 481 | M | 27.9 | Very low | 32 | Very low | 175 Ų | 175 | 123.9 Ų | 123.9 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | | | trans | -97.7 | 146.7 | 162 | -63.7 | -134.4 | -55.6 | 0 | 0 | 111.8 | | |
| 482 | P | 33.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -97 | 150.6 | 152.9 | 35.2 | -28.4 | 0 | 0 | 0 | 111.7 | | |
| 483 | N | 30.9 | Very low | 31.7 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -113.2 | 173.2 | 178.3 | -177.6 | 28.7 | 0 | 0 | 0 | 110.8 | | |
| 484 | A | 29 | Very low | 31.4 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | 93.4 | 102.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 485 | T | 28.9 | Very low | 31 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | | | trans | -84.9 | 130.9 | 159.4 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 486 | T | 29.4 | Very low | 31.1 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -144.5 | 133 | 159.6 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 487 | S | 29 | Very low | 31 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | -84 | 145.1 | -178.5 | -48.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 488 | S | 28.3 | Very low | 31 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -166.7 | 140.5 | 140.3 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 489 | L | 33.5 | Very low | 31 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | | | trans | -89.1 | 159.3 | 173 | -79.8 | 163.1 | 0 | 0 | 0 | 111.7 | | |
| 490 | P | 46.8 | Very low | 31.9 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | | | trans | -86 | 165.1 | -172.9 | 38.3 | -39 | 0 | 0 | 0 | 112.8 | | |
| 491 | P | 41.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | | -154.9 | -172.2 | 93 | 41.6 | -23.1 | 0 | 0 | 0 | 115.2 | | |
| 492 | G | 29.9 | Very low | 31.7 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | 121.4 | 67.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 493 | L | 30.1 | Very low | 31.7 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -39.9 | 149.1 | 165.5 | -76.5 | 166.4 | 0 | 0 | 0 | 119.6 | | |
| 494 | I | 29 | Very low | 31.5 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | 91.9 | 114.2 | 140.5 | -69 | 158.6 | 0 | 0 | 0 | 122.6 | | |
| 495 | A | 27.3 | Very low | 32.2 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 61% | 0.612 | 80% | 0.802 | S | S | * | * | | | trans | 57 | 114.6 | 137 | 0 | 0 | 0 | 0 | 0 | 126.2 | | |
| 496 | H | 31.1 | Very low | 32.7 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | | 40.7 | 131.6 | 123.4 | -48.7 | -69.7 | 0 | 0 | 0 | 124.2 | | |
| 497 | T | 28.7 | Very low | 32.7 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | | 137 | 120.9 | 126.9 | 58.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 498 | K | 27.8 | Very low | 32.9 | Very low | 199 Ų | 199 | 132.6 Ų | 132.6 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | 18.1 | 131.8 | 147.7 | -147.2 | 165.8 | -176.4 | 174.4 | 0 | 123.5 | | |
| 499 | T | 29.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | | | trans | -47.8 | 174.1 | 161.2 | 23.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 500 | P | 46.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | cis | -137 | 174.9 | 1.2 | 38.3 | -20.4 | 0 | 0 | 0 | 117.4 | | |
| 501 | G | 27.8 | Very low | 33.2 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | 163 | 106.9 | 151 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 502 | I | 28.2 | Very low | 32.6 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | trans | 74.4 | 132.3 | 142.2 | -58.8 | 176.9 | 0 | 0 | 0 | 120.8 | | |
| 503 | L | 31.9 | Very low | 32.5 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | 60 | 126.4 | 168 | -72.6 | 163.7 | 0 | 0 | 0 | 118.2 | | |
| 504 | G | 27.5 | Very low | 32.4 | Very low | 56 Ų | 56 | 128.6 Ų | 128.6 | 58% | 0.577 | 79% | 0.787 | S | S | * | * | | | cis | 176.2 | -172.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 505 | V | 44 | Very low | 32.3 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | 49.4 | 124.1 | 165 | -169.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 506 | Q | 38.1 | Very low | 32.5 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -145.7 | 159.4 | -137.6 | -64 | -174.5 | 60.6 | 0 | 0 | 113.5 | | |
| 507 | G | 29.3 | Very low | 32.1 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | -163.5 | 114.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 508 | L | 33.4 | Very low | 32.1 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | -94.4 | -174.1 | 173 | -71.1 | 161 | 0 | 0 | 0 | 110.2 | | |
| 509 | P | 49.6 | Very low | 32.1 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | cis | -117.7 | 168.8 | -15.7 | 9.2 | 17.3 | 0 | 0 | 0 | 112.3 | | |
| 510 | A | 33.1 | Very low | 32 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | | 68.2 | 146.9 | 56.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 511 | T | 33.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | cis | -144.3 | -164.4 | -1 | -22.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 512 | G | 28.5 | Very low | 31.7 | Very low | 67 Ų | 67 | 134.3 Ų | 134.3 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | cis | 155.1 | -178.3 | 8.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 513 | F | 27.4 | Very low | 31.9 | Very low | 209 Ų | 209 | 130.7 Ų | 130.7 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | | | cis | 179.3 | 130.9 | -35 | -159.1 | -78.9 | 0 | 0 | 0 | 107.7 | | |
| 514 | G | 28.8 | Very low | 31.6 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | 80.8 | 167.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 515 | Q | 26.9 | Very low | 31.7 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | cis | -172.2 | 147.1 | -15.3 | -157.4 | 179.9 | -33.7 | 0 | 0 | 111.4 | | |
| 516 | L | 30.5 | Very low | 31 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | 53.3 | 159.2 | 156.6 | 82.9 | 92.6 | 0 | 0 | 0 | 120.7 | | |
| 517 | E | 24.1 | Very low | 30.6 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | cis | -156.5 | 162.7 | -15.4 | -143.6 | -163.1 | 109.7 | 0 | 0 | 111.6 | | |
| 518 | A | 27.2 | Very low | 30.5 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 57% | 0.57 | 79% | 0.794 | S | S | * | * | | | trans | 42.9 | 134 | 146.3 | 0 | 0 | 0 | 0 | 0 | 126.4 | | |
| 519 | S | 27.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | 64.8 | 133.9 | 135.3 | -68.5 | 0 | 0 | 0 | 0 | 123 | | |
| 520 | G | 29.2 | Very low | 29.7 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 170.1 | 30.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 126.7 | | |
| 521 | R | 37.8 | Very low | 29.3 | Very low | 243 Ų | 243 | 132.5 Ų | 132.5 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | 48.9 | 119.1 | 153.6 | -58.4 | -178.4 | 178.6 | -155.9 | -2 | 122.3 | | |
| 522 | K | 29.2 | Very low | 29.1 | Very low | 184 Ų | 184 | 132 Ų | 132 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | 71.9 | 140.5 | 137.9 | -74.8 | -171.9 | 81.1 | -79.9 | 0 | 123.5 | | |
| 523 | S | 31.9 | Very low | 29.1 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | | | trans | 80.9 | 80.2 | 145.4 | -72.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 524 | E | 26.8 | Very low | 29 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | | 40.9 | 113.1 | 105 | -163.2 | 179.5 | 153.2 | 0 | 0 | 119 | | |
| 525 | G | 29.2 | Very low | 29.2 | Very low | 79 Ų | 79 | 136 Ų | 136 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | | | trans | -175.7 | 130.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 526 | A | 29.5 | Very low | 29.2 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -118 | 129.4 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 527 | A | 28.8 | Very low | 29.2 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | -169.9 | 115.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 528 | Q | 27.9 | Very low | 29.5 | Very low | 193 Ų | 193 | 127 Ų | 127 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | 20.1 | 110.6 | 148.1 | -63.8 | 172 | -14.5 | 0 | 0 | 121.3 | | |
| 529 | S | 24.5 | Very low | 29.5 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 10.6 | 158.9 | 131.6 | -117.3 | 0 | 0 | 0 | 0 | 122 | | |
| 530 | P | 41.4 | Very low | 29.3 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | cis | -136.8 | -179 | 6.5 | 37.2 | -17 | 0 | 0 | 0 | 116.1 | | |
| 531 | V | 24.8 | Very low | 29.3 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | 143.3 | 117.6 | 142.7 | 165.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 532 | V | 28.8 | Very low | 29.1 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 58.2 | 131.8 | 149.3 | 171 | 0 | 0 | 0 | 0 | 122.8 | | |
| 533 | S | 28.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 79.2 | 111.5 | 159.3 | -152.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 534 | G | 26.6 | Very low | 29.2 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 179.9 | 126 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 535 | R | 31.4 | Very low | 29.3 | Very low | 225 Ų | 225 | 133.7 Ų | 133.7 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | | | trans | -102.8 | 142.5 | -160.7 | 169.6 | -178.8 | 177.4 | 179.3 | 2.8 | 113.7 | | |
| 536 | D | 26.9 | Very low | 29.7 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | 59.5 | 155.2 | 167.5 | -80.2 | -70.9 | 0 | 0 | 0 | 116.6 | | |
| 537 | A | 30.9 | Very low | 29.7 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | cis | -126 | 179.5 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 538 | G | 31.1 | Very low | 30.1 | Very low | 64 Ų | 64 | 144.8 Ų | 144.8 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | trans | -68.5 | 169.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 539 | K | 27.1 | Very low | 30 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | cis | 60.7 | 137.2 | 24.3 | -53.6 | -165.7 | 177.5 | -173.1 | 0 | 112.9 | | |
| 540 | H | 24.1 | Very low | 30.5 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | cis | -159 | -158.5 | 5.2 | -128.3 | -150.8 | 0 | 0 | 0 | 108 | | |
| 541 | F | 28.3 | Very low | 30 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 77% | 0.772 | 80% | 0.799 | S | S | * | * | | | trans | 79 | 101.2 | 164.1 | -68 | -86.4 | 0 | 0 | 0 | 118.9 | | |
| 542 | M | 34.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | | -72.3 | 154 | 116.8 | -67.7 | -67.6 | -178.6 | 0 | 0 | 108.5 | | |
| 543 | P | 33 | Very low | 31 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | | | | -135.3 | 164.9 | 109.7 | 38.4 | -29.7 | 0 | 0 | 0 | 114.3 | | |
| 544 | E | 29.7 | Very low | 31.2 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -87.7 | 132.1 | -174.8 | 178.1 | -172.1 | 126.4 | 0 | 0 | 112.2 | | |
| 545 | T | 30.1 | Very low | 31.9 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -148.1 | 132.9 | 154 | 48.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 546 | L | 36 | Very low | 32.1 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -67.7 | 153.5 | 177.8 | -61 | 155.2 | 0 | 0 | 0 | 113 | | |
| 547 | Q | 30.3 | Very low | 32.5 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -163.9 | 161.1 | 137.7 | -99.1 | -65.2 | -9.9 | 0 | 0 | 109.3 | | |
| 548 | L | 35.9 | Very low | 32.8 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -106.9 | 130.5 | -159.1 | -166.7 | 77.2 | 0 | 0 | 0 | 113.6 | | |
| 549 | S | 25.9 | Very low | 33 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -165.3 | 135.7 | 154.4 | -166.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 550 | T | 35.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -94.7 | 144 | 165.7 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 551 | P | 32.3 | Very low | 34.3 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | | -130.4 | 163.2 | 121.9 | 37 | -30.7 | 0 | 0 | 0 | 113.2 | | |
| 552 | V | 39 | Very low | 34.6 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | | | trans | -85.3 | 125.2 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 553 | T | 34.3 | Very low | 35.3 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | -135.8 | 101.4 | 166.9 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 554 | S | 32.6 | Very low | 35.9 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 82% | 0.817 | S | S | * | * | | | trans | 27.1 | 105.4 | 154.9 | -155 | 0 | 0 | 0 | 0 | 119 | F556 | S554-F556 PolarHBondContact O-N 2.89Š|
| 555 | L | 42.1 | Very low | 36.9 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | | | trans | -79.9 | 61 | 173.8 | -174.7 | 59.2 | 0 | 0 | 0 | 111.8 | | |
| 556 | F | 35.3 | Very low | 37.9 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | | | trans | -98.1 | 101.3 | -178.1 | -135.3 | -84.3 | 0 | 0 | 0 | 112 | S554 | S554-F556 PolarHBondContact O-N 2.89Š|
| 557 | G | 35.7 | Very low | 38.7 | Very low | 59 Ų | 59 | 146.3 Ų | 146.3 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 142 | 135.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 558 | I | 36 | Very low | 39.8 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | 66.8 | 78.1 | 163 | -39.6 | 174.2 | 0 | 0 | 0 | 115.7 | | |
| 559 | L | 35.4 | Very low | 40.9 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -92.1 | 145.6 | 134.8 | -78.1 | 168.9 | 0 | 0 | 0 | 108.2 | V561 | L559-V561 PolarHBondContact O-N 2.85Š|
| 560 | P | 36.4 | Very low | 42.4 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -73.3 | 111.2 | 172 | 30.1 | -31.7 | 0 | 0 | 0 | 109.5 | | |
| 561 | V | 41.9 | Very low | 43.8 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | | | trans | -71.1 | 133.6 | 163.7 | 176 | 0 | 0 | 0 | 0 | 107.7 | L559 | L559-V561 PolarHBondContact O-N 2.85Š|
| 562 | D | 36 | Very low | 45.2 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | | | trans | -71.4 | 144.2 | -176.7 | -156.2 | -2.3 | 0 | 0 | 0 | 111.4 | E564 | D562-E564 PolarHBondContact O-N 2.99Š|
| 563 | G | 49.1 | Very low | 46.3 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -86 | 58.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 564 | E | 44.9 | Very low | 47.5 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | | | trans | -101.9 | -27 | -175.8 | -156.9 | -172 | 116.7 | 0 | 0 | 114.8 | D562 D566 | D562-E564 PolarHBondContact O-N 2.99Å; E564-D566 PolarHBondContact O-N 3.23Å |
| 565 | E | 51.4 | Low | 49.1 | Very low | 195 Ų | 195 | 126.9 Ų | 126.9 | 91% | 0.911 | 68% | 0.683 | S | S | * | * | | | trans | -67.5 | -11.6 | -161.6 | -154.5 | 121.8 | 100.3 | 0 | 0 | 115.9 | R567 | E565-R567 PolarHBondContact O-N 2.97Š|
| 566 | D | 50 | Low | 49.8 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 78% | 0.775 | 66% | 0.662 | S | S | * | * | | | trans | -80.6 | 41.9 | -178.5 | -155.2 | -8.3 | 0 | 0 | 0 | 113.3 | E564 N568 | E564-D566 PolarHBondContact O-N 3.23Å; D566-N568 PolarHBondContact O-N 3.36Å |
| 567 | R | 53.7 | Low | 50.6 | Low | 216 Ų | 216 | 116.8 Ų | 116.8 | 82% | 0.815 | 64% | 0.643 | S | S | * | * | | | trans | -80.2 | 50 | 167 | -167.8 | 161.7 | 178 | 73.4 | 3.6 | 110.9 | E565 P569 | E565-R567 PolarHBondContact O-N 2.97Å; R567-P569 VanDerWaalsContact O-N 3.12Å |
| 568 | N | 52.8 | Low | 51.6 | Low | 69 Ų | 69 | 120.5 Ų | 120.5 | 37% | 0.369 | 64% | 0.644 | S | S | . | * | | | trans | -47.5 | 117.1 | 179.6 | -177.1 | -22.2 | 0 | 0 | 0 | 111 | D566 S570 T571 | D566-N568 PolarHBondContact O-N 3.36Å; N568-S570 PolarHBondContact O-N 2.91Å; N568-S570 VanDerWaalsContact O-N 3.08Å; N568-S570 WeakPolarHBondContact OD1-CB 3.03Å; N568-S570 PolarHBondContact OD1-N 3.26Å; N568-S570 PolarHBondContact OD1-OG 3.22Å; N568-T571 WeakPolarHBondContact O-CB 3.49Å; N568-T571 PolarHBondContact O-N 2.76Å |
| 569 | P | 59.3 | Low | 52.2 | Low | 69 Ų | 69 | 116.7 Ų | 116.7 | 45% | 0.448 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62 | -23.6 | -174 | 22.9 | -33 | 0 | 0 | 0 | 112.7 | R567 T571 A572 F573 | R567-P569 VanDerWaalsContact O-N 3.12Å; P569-T571 VanDerWaalsContact C-N 3.25Å; P569-T571 PolarHBondContact O-N 3.01Å; P569-A572 PolarHBondContact O-N 3.01Å; P569-F573 WeakPolarHBondContact O-CB 3.37Å; P569-F573 PolarHBondContact O-N 2.95Å |
| 570 | S | 58 | Low | 52.9 | Low | 48 Ų | 48 | 112.4 Ų | 112.4 | 34% | 0.336 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -56.5 | -37.6 | 172.7 | -45.6 | 0 | 0 | 0 | 0 | 112.3 | N568 F573 Y574 | N568-S570 PolarHBondContact O-N 2.91Å; N568-S570 VanDerWaalsContact O-N 3.08Å; N568-S570 WeakPolarHBondContact OD1-CB 3.03Å; N568-S570 PolarHBondContact OD1-N 3.26Å; N568-S570 PolarHBondContact OD1-OG 3.22Å; S570-F573 WeakPolarHBondContact O-CB 3.48Å; S570-F573 PolarHBondContact O-N 3.17Å; S570-Y574 WeakPolarHBondContact O-CD2 3.43Å; S570-Y574 PolarHBondContact O-N 3.49Å |
| 571 | T | 64.8 | Low | 53.6 | Low | 94 Ų | 94 | 111.6 Ų | 111.6 | 58% | 0.577 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.4 | -41.6 | -177.6 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | N568 P569 Q575 | N568-T571 WeakPolarHBondContact O-CB 3.49Å; N568-T571 PolarHBondContact O-N 2.76Å; P569-T571 VanDerWaalsContact C-N 3.25Å; P569-T571 PolarHBondContact O-N 3.01Å; T571-Q575 WeakPolarHBondContact O-CB 3.38Å; T571-Q575 PolarHBondContact O-N 2.99Å; T571-Q575 VanDerWaalsContact O-N 3.15Å |
| 572 | A | 61.6 | Low | 53.9 | Low | 52 Ų | 52 | 116 Ų | 116 | 43% | 0.43 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.9 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P569 Q575 A576 | P569-A572 PolarHBondContact O-N 3.01Å; A572-Q575 PolarHBondContact O-N 3.46Å; A572-A576 PolarHBondContact O-N 2.84Å |
| 573 | F | 61.1 | Low | 54.6 | Low | 60 Ų | 60 | 116.1 Ų | 116.1 | 26% | 0.263 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -58 | -52.6 | 176 | 179.4 | -88.8 | 0 | 0 | 0 | 111.9 | P569 S570 Q575 A576 F577 L611 | P569-F573 WeakPolarHBondContact O-CB 3.37Å; P569-F573 PolarHBondContact O-N 2.95Å; S570-F573 WeakPolarHBondContact O-CB 3.48Å; S570-F573 PolarHBondContact O-N 3.17Å; F573-Q575 VanDerWaalsContact C-N 3.29Å; F573-Q575 PolarHBondContact O-N 3.28Å; F573-A576 PolarHBondContact O-N 3.2Å; F573-F577 HydrophobicContact CD1-CD2 4.24Å; F573-F577 HydrophobicContact CD1-CE2 4.32Å; F573-F577 HydrophobicContact CD2-CE2 4.2Å; F573-F577 HydrophobicContact CE1-CD2 4.05Å; F573-F577 AromaticContact CE1-CE2 3.85Å; F573-F577 HydrophobicContact CE1-CE2 3.85Å; F573-F577 AromaticContact CE2-CE2 3.73Å; F573-F577 HydrophobicContact CE2-CE2 3.73Å; F573-F577 HydrophobicContact CG-CE2 4.47Å; F573-F577 HydrophobicContact CZ-CD2 4.21Å; F573-F577 AromaticContact CZ-CE2 3.54Å; F573-F577 HydrophobicContact CZ-CE2 3.54Å; F573-F577 HydrophobicContact CZ-CZ 4.38Å; F573-F577 WeakPolarHBondContact O-CD2 3.44Å; F573-F577 PolarHBondContact O-N 3.29Å; F573-L611 HydrophobicContact CD2-CD2 3.77Å; F573-L611 HydrophobicContact CD2-CG 4.11Å; F573-L611 HydrophobicContact CE2-CD2 3.7Å; F573-L611 HydrophobicContact CE2-CG 4.02Å |
| 574 | Y | 59.6 | Low | 54.4 | Low | 148 Ų | 148 | 122 Ų | 122 | 58% | 0.58 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.1 | -29.5 | 178.1 | -75.6 | -63.5 | 0 | 0 | 0 | 113.4 | S570 Q578 | S570-Y574 WeakPolarHBondContact O-CD2 3.43Å; S570-Y574 PolarHBondContact O-N 3.49Å; Y574-Q578 WeakPolarHBondContact O-CG 3.23Å; Y574-Q578 PolarHBondContact O-N 3.39Å; Y574-Q578 PolarHBondContact O-NE2 2.97Å |
| 575 | Q | 66 | Low | 54.4 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.2 | -34.3 | 176.4 | -170 | 169.8 | 73.5 | 0 | 0 | 112.4 | T571 A572 F573 S579 | T571-Q575 WeakPolarHBondContact O-CB 3.38Å; T571-Q575 PolarHBondContact O-N 2.99Å; T571-Q575 VanDerWaalsContact O-N 3.15Å; A572-Q575 PolarHBondContact O-N 3.46Å; F573-Q575 VanDerWaalsContact C-N 3.29Å; F573-Q575 PolarHBondContact O-N 3.28Å; Q575-S579 PolarHBondContact O-N 3.08Å; Q575-S579 PolarHBondContact O-OG 3.47Å |
| 576 | A | 56.7 | Low | 54 | Low | 62 Ų | 62 | 116.5 Ų | 116.5 | 51% | 0.512 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.4 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A572 F573 S579 | A572-A576 PolarHBondContact O-N 2.84Å; F573-A576 PolarHBondContact O-N 3.2Å; A576-S579 PolarHBondContact O-N 2.93Å |
| 577 | F | 53.2 | Low | 54.3 | Low | 107 Ų | 107 | 119.9 Ų | 119.9 | 47% | 0.469 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66 | -41.6 | 178.9 | -81.3 | -79.7 | 0 | 0 | 0 | 113.3 | F573 S579 G580 L611 | F573-F577 HydrophobicContact CD1-CD2 4.24Å; F573-F577 HydrophobicContact CD1-CE2 4.32Å; F573-F577 HydrophobicContact CD2-CE2 4.2Å; F573-F577 HydrophobicContact CE1-CD2 4.05Å; F573-F577 AromaticContact CE1-CE2 3.85Å; F573-F577 HydrophobicContact CE1-CE2 3.85Å; F573-F577 AromaticContact CE2-CE2 3.73Å; F573-F577 HydrophobicContact CE2-CE2 3.73Å; F573-F577 HydrophobicContact CG-CE2 4.47Å; F573-F577 HydrophobicContact CZ-CD2 4.21Å; F573-F577 AromaticContact CZ-CE2 3.54Å; F573-F577 HydrophobicContact CZ-CE2 3.54Å; F573-F577 HydrophobicContact CZ-CZ 4.38Å; F573-F577 WeakPolarHBondContact O-CD2 3.44Å; F573-F577 PolarHBondContact O-N 3.29Å; F577-S579 VanDerWaalsContact C-N 3.27Å; F577-S579 PolarHBondContact O-N 3.4Å; F577-G580 PolarHBondContact O-N 3.3Å; F577-L611 HydrophobicContact CE2-CD2 3.7Å; F577-L611 HydrophobicContact CZ-CD2 4.09Å |
| 578 | Q | 55 | Low | 54 | Low | 136 Ų | 136 | 113.9 Ų | 113.9 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.1 | -34.4 | 177.9 | -77 | 174 | 82.6 | 0 | 0 | 112.9 | Y574 G580 S581 | Y574-Q578 WeakPolarHBondContact O-CG 3.23Å; Y574-Q578 PolarHBondContact O-N 3.39Å; Y574-Q578 PolarHBondContact O-NE2 2.97Å; Q578-G580 PolarHBondContact O-N 3.45Å; Q578-S581 PolarHBondContact O-N 2.92Å; Q578-S581 VanDerWaalsContact O-N 3.08Å |
| 579 | S | 50.2 | Low | 53.4 | Low | 90 Ų | 90 | 119.2 Ų | 119.2 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62 | -26 | 179.3 | -61 | 0 | 0 | 0 | 0 | 113.2 | Q575 A576 F577 | Q575-S579 PolarHBondContact O-N 3.08Å; Q575-S579 PolarHBondContact O-OG 3.47Å; A576-S579 PolarHBondContact O-N 2.93Å; F577-S579 VanDerWaalsContact C-N 3.27Å; F577-S579 PolarHBondContact O-N 3.4Å |
| 580 | G | 48.8 | Very low | 53 | Low | 68 Ų | 68 | 120.6 Ų | 120.6 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -7.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F577 Q578 | F577-G580 PolarHBondContact O-N 3.3Å; Q578-G580 PolarHBondContact O-N 3.45Å |
| 581 | S | 51 | Low | 52.8 | Low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | | | trans | -107.6 | 21.8 | -167 | -164.5 | 0 | 0 | 0 | 0 | 114.8 | Q578 | Q578-S581 PolarHBondContact O-N 2.92Å; Q578-S581 VanDerWaalsContact O-N 3.08Å |
| 582 | R | 48.9 | Very low | 52.1 | Low | 234 Ų | 234 | 126.9 Ų | 126.9 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | | | trans | -106.1 | 29.1 | 179.9 | -75.1 | -169.5 | 173.6 | -113 | 2.1 | 114.7 | | |
| 583 | L | 50.3 | Low | 51.8 | Low | 155 Ų | 155 | 127.5 Ų | 127.5 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -134.7 | 127.4 | 175.8 | -149.3 | 80 | 0 | 0 | 0 | 113.3 | | |
| 584 | R | 46.2 | Very low | 51.6 | Low | 204 Ų | 204 | 129.4 Ų | 129.4 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | | | trans | 75.2 | 82.2 | 175 | -55.1 | -158.7 | -160.8 | -172.5 | 8.9 | 118.4 | S586 | R584-S586 WeakPolarHBondContact CB-OG 3.23Å; R584-S586 PolarHBondContact O-N 3.03Å |
| 585 | D | 43.8 | Very low | 51.8 | Low | 177 Ų | 177 | 125 Ų | 125 | 95% | 0.947 | 71% | 0.71 | S | S | * | * | | | | -61.4 | 113 | 117.4 | -84.2 | -65.6 | 0 | 0 | 0 | 108.5 | | |
| 586 | S | 44.1 | Very low | 52 | Low | 77 Ų | 77 | 123.6 Ų | 123.6 | 54% | 0.538 | 71% | 0.711 | S | S | . | * | | | trans | -157.2 | 84 | 176.3 | -69 | 0 | 0 | 0 | 0 | 111.5 | R584 A588 | R584-S586 WeakPolarHBondContact CB-OG 3.23Å; R584-S586 PolarHBondContact O-N 3.03Å; S586-A588 PolarHBondContact O-N 3.18Å |
| 587 | K | 56.4 | Low | 53 | Low | 216 Ų | 216 | 125.5 Ų | 125.5 | 94% | 0.939 | 71% | 0.713 | S | S | * | * | | | trans | -74.8 | 84.1 | 177.9 | -177.2 | -171.4 | 172.6 | 66 | 0 | 111.8 | | |
| 588 | A | 45.6 | Very low | 54.6 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 74% | 0.744 | 71% | 0.713 | S | S | * | * | | | trans | -163.9 | 148.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S586 | S586-A588 PolarHBondContact O-N 3.18Š|
| 589 | H | 41.6 | Very low | 56.1 | Low | 182 Ų | 182 | 122 Ų | 122 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | | | trans | 58.2 | 92 | 163.2 | -119.9 | 69.1 | 0 | 0 | 0 | 117.7 | | |
| 590 | S | 51 | Low | 58 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | | | trans | -69 | 169.2 | 146.3 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 591 | D | 52.3 | Low | 60.1 | Low | 144 Ų | 144 | 120.7 Ų | 120.7 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 76.4 | 142.6 | 169.2 | -51 | -39.6 | 0 | 0 | 0 | 118 | | |
| 592 | S | 51.2 | Low | 62.2 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 90% | 0.902 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 83.2 | 13.7 | 170.9 | -46.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 593 | A | 54.4 | Low | 64.4 | Low | 66 Ų | 66 | 112.6 Ų | 112.6 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | | | trans | -136.6 | 19.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116 | G595 T596 | A593-G595 VanDerWaalsContact C-N 3.33Å; A593-G595 PolarHBondContact O-N 3.45Å; A593-G595 VanDerWaalsContact O-N 3.13Å; A593-T596 PolarHBondContact O-N 2.99Å |
| 594 | S | 57.9 | Low | 66.5 | Low | 100 Ų | 100 | 111.9 Ų | 111.9 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -57.8 | -34.7 | -164.1 | -156.7 | 0 | 0 | 0 | 0 | 115.7 | T596 N597 I598 | S594-T596 VanDerWaalsContact C-N 3.27Å; S594-T596 PolarHBondContact O-N 2.9Å; S594-N597 PolarHBondContact O-N 3.3Å; S594-N597 VanDerWaalsContact O-N 3.16Å; S594-I598 PolarHBondContact O-N 3.31Å |
| 595 | G | 62.8 | Low | 68.9 | Low | 54 Ų | 54 | 106.6 Ų | 106.6 | 56% | 0.557 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.8 | -19.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A593 I598 | A593-G595 VanDerWaalsContact C-N 3.33Å; A593-G595 PolarHBondContact O-N 3.45Å; A593-G595 VanDerWaalsContact O-N 3.13Å; G595-I598 WeakPolarHBondContact O-CG2 3.49Å |
| 596 | T | 71.4 | Confident | 71.4 | Confident | 106 Ų | 106 | 103.9 Ų | 103.9 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -83 | -31.8 | 174.9 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | A593 S594 A600 | A593-T596 PolarHBondContact O-N 2.99Å; S594-T596 VanDerWaalsContact C-N 3.27Å; S594-T596 PolarHBondContact O-N 2.9Å; T596-A600 WeakPolarHBondContact O-CB 3.41Å; T596-A600 PolarHBondContact O-N 2.92Å |
| 597 | N | 77.8 | Confident | 73.9 | Confident | 102 Ų | 102 | 106.5 Ų | 106.5 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.6 | -36.1 | -178.5 | -72.2 | -12.3 | 0 | 0 | 0 | 112.2 | S594 A600 I601 | S594-N597 PolarHBondContact O-N 3.3Å; S594-N597 VanDerWaalsContact O-N 3.16Å; N597-A600 PolarHBondContact O-N 2.75Å; N597-I601 WeakPolarHBondContact O-CD1 3.35Å; N597-I601 VanDerWaalsContact O-CG1 3.28Å; N597-I601 WeakPolarHBondContact O-CG1 3.25Å; N597-I601 PolarHBondContact O-N 3.25Å |
| 598 | I | 85.4 | Confident | 75.8 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.5 | -46.9 | 178.2 | -166.9 | 66.8 | 0 | 0 | 0 | 111.5 | S594 G595 A600 I601 D602 | S594-I598 PolarHBondContact O-N 3.31Å; G595-I598 WeakPolarHBondContact O-CG2 3.49Å; I598-A600 VanDerWaalsContact C-N 3.28Å; I598-A600 PolarHBondContact O-N 3.39Å; I598-I601 CarbonylContact O-C 3.58Å; I598-I601 WeakPolarHBondContact O-CA 3.22Å; I598-I601 WeakPolarHBondContact O-CB 3.34Å; I598-I601 PolarHBondContact O-N 3.36Å; I598-D602 VanDerWaalsContact O-CG 3.29Å; I598-D602 PolarHBondContact O-N 2.85Å |
| 599 | V | 86.5 | Confident | 78.3 | Confident | 78 Ų | 78 | 99.3 Ų | 99.3 | 47% | 0.473 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.2 | -34.5 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | I601 N603 | V599-I601 VanDerWaalsContact C-N 3.31Å; V599-N603 WeakPolarHBondContact O-CB 3.41Å; V599-N603 PolarHBondContact O-N 3.1Å; V599-N603 PolarHBondContact O-ND2 3.06Å |
| 600 | A | 91.5 | Very high | 81 | Confident | 44 Ų | 44 | 94.3 Ų | 94.3 | 36% | 0.364 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.2 | -24.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T596 N597 I598 K604 | T596-A600 WeakPolarHBondContact O-CB 3.41Å; T596-A600 PolarHBondContact O-N 2.92Å; N597-A600 PolarHBondContact O-N 2.75Å; I598-A600 VanDerWaalsContact C-N 3.28Å; I598-A600 PolarHBondContact O-N 3.39Å; A600-K604 WeakPolarHBondContact O-CD 3.48Å; A600-K604 VanDerWaalsContact O-CG 3.25Å; A600-K604 WeakPolarHBondContact O-CG 3.17Å; A600-K604 PolarHBondContact O-N 2.84Å |
| 601 | I | 91.9 | Very high | 83.2 | Confident | 85 Ų | 85 | 93 Ų | 93 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -79.1 | -47.4 | 172.3 | -70.8 | 161.4 | 0 | 0 | 0 | 109.9 | N597 I598 V599 N603 K604 I605 | N597-I601 WeakPolarHBondContact O-CD1 3.35Å; N597-I601 VanDerWaalsContact O-CG1 3.28Å; N597-I601 WeakPolarHBondContact O-CG1 3.25Å; N597-I601 PolarHBondContact O-N 3.25Å; I598-I601 CarbonylContact O-C 3.58Å; I598-I601 WeakPolarHBondContact O-CA 3.22Å; I598-I601 WeakPolarHBondContact O-CB 3.34Å; I598-I601 PolarHBondContact O-N 3.36Å; V599-I601 VanDerWaalsContact C-N 3.31Å; I601-N603 VanDerWaalsContact C-N 3.35Å; I601-N603 PolarHBondContact O-N 3.38Å; I601-K604 CarbonylContact O-C 3.55Å; I601-K604 WeakPolarHBondContact O-CA 3.43Å; I601-K604 WeakPolarHBondContact O-CB 3.41Å; I601-K604 PolarHBondContact O-N 3.32Å; I601-I605 HydrophobicContact CG2-CD1 3.81Å; I601-I605 HydrophobicContact CG2-CG1 4.37Å; I601-I605 WeakPolarHBondContact O-CG1 3.48Å; I601-I605 PolarHBondContact O-N 3.2Å |
| 602 | D | 94.5 | Very high | 85.4 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 178 | -62.4 | -27.4 | 0 | 0 | 0 | 110.8 | I598 K604 I605 E606 | I598-D602 VanDerWaalsContact O-CG 3.29Å; I598-D602 PolarHBondContact O-N 2.85Å; D602-K604 PolarHBondContact O-N 2.91Å; D602-I605 PolarHBondContact O-N 3.36Å; D602-I605 VanDerWaalsContact O-N 3.12Å; D602-E606 PolarHBondContact O-N 2.96Å |
| 603 | N | 95.1 | Very high | 87.6 | Confident | 83 Ų | 83 | 90 Ų | 90 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -30 | 173.9 | -73.3 | -10.7 | 0 | 0 | 0 | 113.2 | V599 I601 Q607 | V599-N603 WeakPolarHBondContact O-CB 3.41Å; V599-N603 PolarHBondContact O-N 3.1Å; V599-N603 PolarHBondContact O-ND2 3.06Å; I601-N603 VanDerWaalsContact C-N 3.35Å; I601-N603 PolarHBondContact O-N 3.38Å; N603-Q607 WeakPolarHBondContact O-CB 3.29Å; N603-Q607 VanDerWaalsContact O-CG 3.31Å; N603-Q607 WeakPolarHBondContact O-CG 3.25Å; N603-Q607 PolarHBondContact O-N 3.35Å; N603-Q607 VanDerWaalsContact O-N 3.08Å; N603-Q607 PolarHBondContact O-NE2 2.94Å |
| 604 | K | 95.3 | Very high | 89.7 | Confident | 141 Ų | 141 | 89.3 Ų | 89.3 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -78.3 | -35 | 176.2 | -80.8 | 171.6 | 175.5 | -68.8 | 0 | 112.1 | A600 I601 D602 A608 | A600-K604 WeakPolarHBondContact O-CD 3.48Å; A600-K604 VanDerWaalsContact O-CG 3.25Å; A600-K604 WeakPolarHBondContact O-CG 3.17Å; A600-K604 PolarHBondContact O-N 2.84Å; I601-K604 CarbonylContact O-C 3.55Å; I601-K604 WeakPolarHBondContact O-CA 3.43Å; I601-K604 WeakPolarHBondContact O-CB 3.41Å; I601-K604 PolarHBondContact O-N 3.32Å; D602-K604 PolarHBondContact O-N 2.91Å; K604-A608 WeakPolarHBondContact O-CB 3.03Å; K604-A608 PolarHBondContact O-N 2.6Å |
| 605 | I | 95.7 | Very high | 91.6 | Very high | 92 Ų | 92 | 88.2 Ų | 88.2 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 172.6 | -66.5 | 166.8 | 0 | 0 | 0 | 109.4 | I601 D602 A608 M609 | I601-I605 HydrophobicContact CG2-CD1 3.81Å; I601-I605 HydrophobicContact CG2-CG1 4.37Å; I601-I605 WeakPolarHBondContact O-CG1 3.48Å; I601-I605 PolarHBondContact O-N 3.2Å; D602-I605 PolarHBondContact O-N 3.36Å; D602-I605 VanDerWaalsContact O-N 3.12Å; I605-A608 PolarHBondContact O-N 2.95Å; I605-M609 HydrophobicContact CG2-SD 4.12Å; I605-M609 WeakPolarHBondContact O-CB 3.47Å; I605-M609 WeakPolarHBondContact O-CG 3.38Å; I605-M609 PolarHBondContact O-N 3.18Å |
| 606 | E | 96.2 | Very high | 93.3 | Very high | 120 Ų | 120 | 90.8 Ų | 90.8 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 177.8 | -167.4 | 159.1 | -129.3 | 0 | 0 | 111.8 | D602 A608 M609 D610 | D602-E606 PolarHBondContact O-N 2.96Å; E606-A608 VanDerWaalsContact C-N 3.35Å; E606-A608 PolarHBondContact O-N 3.28Å; E606-M609 PolarHBondContact O-N 3.02Å; E606-D610 PolarHBondContact O-N 3.45Å |
| 607 | Q | 97.3 | Very high | 94.5 | Very high | 133 Ų | 133 | 91.4 Ų | 91.4 | 62% | 0.621 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.4 | -40.6 | 170.9 | -81.2 | 166.9 | 90.6 | 0 | 0 | 113.1 | N603 L611 | N603-Q607 WeakPolarHBondContact O-CB 3.29Å; N603-Q607 VanDerWaalsContact O-CG 3.31Å; N603-Q607 WeakPolarHBondContact O-CG 3.25Å; N603-Q607 PolarHBondContact O-N 3.35Å; N603-Q607 VanDerWaalsContact O-N 3.08Å; N603-Q607 PolarHBondContact O-NE2 2.94Å; Q607-L611 VanDerWaalsContact O-CB 3.28Å; Q607-L611 WeakPolarHBondContact O-CB 3.3Å; Q607-L611 PolarHBondContact O-N 2.88Å |
| 608 | A | 97.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 93.1 Ų | 93.1 | 29% | 0.289 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K604 I605 E606 L611 V612 | K604-A608 WeakPolarHBondContact O-CB 3.03Å; K604-A608 PolarHBondContact O-N 2.6Å; I605-A608 PolarHBondContact O-N 2.95Å; E606-A608 VanDerWaalsContact C-N 3.35Å; E606-A608 PolarHBondContact O-N 3.28Å; A608-L611 PolarHBondContact O-N 3.18Å; A608-V612 WeakPolarHBondContact O-CB 3.37Å; A608-V612 VanDerWaalsContact O-CG2 3.31Å; A608-V612 WeakPolarHBondContact O-CG2 3.47Å; A608-V612 PolarHBondContact O-N 3.49Å |
| 609 | M | 97.7 | Very high | 96 | Very high | 119 Ų | 119 | 90.1 Ų | 90.1 | 59% | 0.586 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.8 | -48.4 | 174.4 | -81.7 | 175.1 | 46.9 | 0 | 0 | 112 | I605 E606 L611 V612 K613 | I605-M609 HydrophobicContact CG2-SD 4.12Å; I605-M609 WeakPolarHBondContact O-CB 3.47Å; I605-M609 WeakPolarHBondContact O-CG 3.38Å; I605-M609 PolarHBondContact O-N 3.18Å; E606-M609 PolarHBondContact O-N 3.02Å; M609-L611 VanDerWaalsContact C-N 3.32Å; M609-L611 PolarHBondContact O-N 3.31Å; M609-V612 PolarHBondContact O-N 3.08Å; M609-K613 WeakPolarHBondContact O-CB 3.43Å; M609-K613 PolarHBondContact O-N 2.96Å |
| 610 | D | 97.6 | Very high | 96.6 | Very high | 78 Ų | 78 | 90.3 Ų | 90.3 | 42% | 0.417 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -31.5 | 179.1 | -88 | -20.3 | 0 | 0 | 0 | 112.2 | E606 K613 S614 | E606-D610 PolarHBondContact O-N 3.45Å; D610-K613 VanDerWaalsContact OD1-CD 3.3Å; D610-K613 WeakPolarHBondContact OD1-CD 3.41Å; D610-K613 IonicContact OD1-NZ 2.76Å; D610-K613 PolarHBondContact OD1-NZ 3.48Å; D610-S614 WeakPolarHBondContact O-CB 3.39Å; D610-S614 PolarHBondContact O-N 3.46Å |
| 611 | L | 97.6 | Very high | 96.8 | Very high | 71 Ų | 71 | 94 Ų | 94 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -47 | 171.4 | -178.4 | 60.9 | 0 | 0 | 0 | 112.2 | F573 F577 Q607 A608 M609 S614 H615 | F573-L611 HydrophobicContact CD2-CD2 3.77Å; F573-L611 HydrophobicContact CD2-CG 4.11Å; F573-L611 HydrophobicContact CE2-CD2 3.7Å; F573-L611 HydrophobicContact CE2-CG 4.02Å; F577-L611 HydrophobicContact CE2-CD2 3.7Å; F577-L611 HydrophobicContact CZ-CD2 4.09Å; Q607-L611 VanDerWaalsContact O-CB 3.28Å; Q607-L611 WeakPolarHBondContact O-CB 3.3Å; Q607-L611 PolarHBondContact O-N 2.88Å; A608-L611 PolarHBondContact O-N 3.18Å; M609-L611 VanDerWaalsContact C-N 3.32Å; M609-L611 PolarHBondContact O-N 3.31Å; L611-S614 PolarHBondContact O-N 3.35Å; L611-H615 WeakPolarHBondContact O-CB 3.25Å; L611-H615 PolarHBondContact O-N 3.28Å |
| 612 | V | 98.1 | Very high | 97.1 | Very high | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.8 | 166.5 | 0 | 0 | 0 | 0 | 111 | A608 M609 H615 L616 | A608-V612 WeakPolarHBondContact O-CB 3.37Å; A608-V612 VanDerWaalsContact O-CG2 3.31Å; A608-V612 WeakPolarHBondContact O-CG2 3.47Å; A608-V612 PolarHBondContact O-N 3.49Å; M609-V612 PolarHBondContact O-N 3.08Å; V612-H615 PolarHBondContact O-N 2.89Å; V612-L616 WeakPolarHBondContact O-CB 3.47Å; V612-L616 PolarHBondContact O-N 2.96Å |
| 613 | K | 97.9 | Very high | 97.2 | Very high | 128 Ų | 128 | 98 Ų | 98 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 176.5 | 177.8 | -172.2 | 177.7 | -171 | 0 | 111.9 | M609 D610 M617 | M609-K613 WeakPolarHBondContact O-CB 3.43Å; M609-K613 PolarHBondContact O-N 2.96Å; D610-K613 VanDerWaalsContact OD1-CD 3.3Å; D610-K613 WeakPolarHBondContact OD1-CD 3.41Å; D610-K613 IonicContact OD1-NZ 2.76Å; D610-K613 PolarHBondContact OD1-NZ 3.48Å; K613-M617 VanDerWaalsContact O-CB 3.27Å; K613-M617 WeakPolarHBondContact O-CB 3.39Å; K613-M617 WeakPolarHBondContact O-CG 3.19Å; K613-M617 PolarHBondContact O-N 2.91Å |
| 614 | S | 97.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 97 Ų | 97 | 35% | 0.35 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 174.8 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | D610 L611 M617 Y618 | D610-S614 WeakPolarHBondContact O-CB 3.39Å; D610-S614 PolarHBondContact O-N 3.46Å; L611-S614 PolarHBondContact O-N 3.35Å; S614-M617 PolarHBondContact O-N 3.18Å; S614-Y618 WeakPolarHBondContact O-CD2 3.11Å; S614-Y618 PolarHBondContact O-N 2.86Å; S614-Y618 VanDerWaalsContact OG-CE2 3.29Å; S614-Y618 WeakPolarHBondContact OG-CE2 3.34Å |
| 615 | H | 97.8 | Very high | 97.5 | Very high | 77 Ų | 77 | 95.5 Ų | 95.5 | 36% | 0.356 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.9 | 179.3 | 33.1 | 0 | 0 | 0 | 111.5 | L611 V612 M617 Y618 A619 | L611-H615 WeakPolarHBondContact O-CB 3.25Å; L611-H615 PolarHBondContact O-N 3.28Å; V612-H615 PolarHBondContact O-N 2.89Å; H615-M617 VanDerWaalsContact C-N 3.35Å; H615-M617 PolarHBondContact O-N 3.34Å; H615-Y618 PolarHBondContact O-N 3.34Å; H615-Y618 VanDerWaalsContact O-N 3.14Å; H615-A619 WeakPolarHBondContact O-CB 3.5Å; H615-A619 PolarHBondContact O-N 3.18Å |
| 616 | L | 98.1 | Very high | 97.6 | Very high | 108 Ų | 108 | 94.5 Ų | 94.5 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 175.2 | -174.8 | 66.5 | 0 | 0 | 0 | 111.9 | V612 Y618 V620 | V612-L616 WeakPolarHBondContact O-CB 3.47Å; V612-L616 PolarHBondContact O-N 2.96Å; L616-Y618 VanDerWaalsContact C-N 3.26Å; L616-Y618 PolarHBondContact O-N 3.16Å; L616-V620 HydrophobicContact CD1-CG2 3.77Å; L616-V620 HydrophobicContact CG-CG2 4.12Å; L616-V620 VanDerWaalsContact O-CB 3.26Å; L616-V620 WeakPolarHBondContact O-CB 3.44Å; L616-V620 VanDerWaalsContact O-CG2 3.25Å; L616-V620 WeakPolarHBondContact O-CG2 3.04Å; L616-V620 PolarHBondContact O-N 3.41Å |
| 617 | M | 96.9 | Very high | 97.7 | Very high | 120 Ų | 120 | 93 Ų | 93 | 59% | 0.591 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.2 | -25.7 | 175.4 | -77.4 | -70.4 | -60.1 | 0 | 0 | 113.8 | K613 S614 H615 | K613-M617 VanDerWaalsContact O-CB 3.27Å; K613-M617 WeakPolarHBondContact O-CB 3.39Å; K613-M617 WeakPolarHBondContact O-CG 3.19Å; K613-M617 PolarHBondContact O-N 2.91Å; S614-M617 PolarHBondContact O-N 3.18Å; H615-M617 VanDerWaalsContact C-N 3.35Å; H615-M617 PolarHBondContact O-N 3.34Å |
| 618 | Y | 97.6 | Very high | 97.8 | Very high | 137 Ų | 137 | 92.7 Ų | 92.7 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -82 | -53.1 | 171.8 | -72.7 | -58.3 | 0 | 0 | 0 | 111.3 | S614 H615 L616 V620 R621 E622 | S614-Y618 WeakPolarHBondContact O-CD2 3.11Å; S614-Y618 PolarHBondContact O-N 2.86Å; S614-Y618 VanDerWaalsContact OG-CE2 3.29Å; S614-Y618 WeakPolarHBondContact OG-CE2 3.34Å; H615-Y618 PolarHBondContact O-N 3.34Å; H615-Y618 VanDerWaalsContact O-N 3.14Å; L616-Y618 VanDerWaalsContact C-N 3.26Å; L616-Y618 PolarHBondContact O-N 3.16Å; Y618-V620 PolarHBondContact O-N 3.32Å; Y618-R621 WeakPolarHBondContact O-CA 3.44Å; Y618-R621 WeakPolarHBondContact O-CB 3.34Å; Y618-R621 PolarHBondContact O-N 2.62Å; Y618-E622 WeakPolarHBondContact O-CB 3.42Å; Y618-E622 PolarHBondContact O-N 2.75Å |
| 619 | A | 97.2 | Very high | 97.8 | Very high | 30 Ų | 30 | 95.9 Ų | 95.9 | 25% | 0.248 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -58.2 | -43.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H615 R621 E622 E623 | H615-A619 WeakPolarHBondContact O-CB 3.5Å; H615-A619 PolarHBondContact O-N 3.18Å; A619-R621 VanDerWaalsContact C-N 3.26Å; A619-R621 PolarHBondContact O-N 3.04Å; A619-E622 PolarHBondContact O-N 2.63Å; A619-E623 WeakPolarHBondContact O-CB 3.18Å; A619-E623 VanDerWaalsContact O-CG 3.28Å; A619-E623 WeakPolarHBondContact O-CG 3.2Å; A619-E623 PolarHBondContact O-N 2.98Å |
| 620 | V | 98.4 | Very high | 97.8 | Very high | 82 Ų | 82 | 94.9 Ų | 94.9 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -26.7 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | L616 Y618 V624 | L616-V620 HydrophobicContact CD1-CG2 3.77Å; L616-V620 HydrophobicContact CG-CG2 4.12Å; L616-V620 VanDerWaalsContact O-CB 3.26Å; L616-V620 WeakPolarHBondContact O-CB 3.44Å; L616-V620 VanDerWaalsContact O-CG2 3.25Å; L616-V620 WeakPolarHBondContact O-CG2 3.04Å; L616-V620 PolarHBondContact O-N 3.41Å; Y618-V620 PolarHBondContact O-N 3.32Å; V620-V624 VanDerWaalsContact O-CB 3.31Å; V620-V624 WeakPolarHBondContact O-CB 3.28Å; V620-V624 WeakPolarHBondContact O-CG2 3.29Å; V620-V624 PolarHBondContact O-N 2.89Å |
| 621 | R | 97.5 | Very high | 97.9 | Very high | 121 Ų | 121 | 96.8 Ų | 96.8 | 46% | 0.457 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.4 | -47.2 | 172.4 | -180 | -176.9 | -54.9 | 156.4 | 8.3 | 111 | Y618 A619 V624 E625 | Y618-R621 WeakPolarHBondContact O-CA 3.44Å; Y618-R621 WeakPolarHBondContact O-CB 3.34Å; Y618-R621 PolarHBondContact O-N 2.62Å; A619-R621 VanDerWaalsContact C-N 3.26Å; A619-R621 PolarHBondContact O-N 3.04Å; R621-V624 CarbonylContact O-C 3.53Å; R621-V624 PolarHBondContact O-N 3.24Å; R621-V624 VanDerWaalsContact O-N 3.16Å; R621-E625 WeakPolarHBondContact CD-OE1 3.12Å; R621-E625 HydrophobicContact CG-CG 4.4Å; R621-E625 WeakPolarHBondContact CG-OE1 3.31Å; R621-E625 WeakPolarHBondContact O-CB 3.14Å; R621-E625 WeakPolarHBondContact O-CG 3.44Å; R621-E625 PolarHBondContact O-N 2.92Å |
| 622 | E | 97.7 | Very high | 97.9 | Very high | 127 Ų | 127 | 98.8 Ų | 98.8 | 59% | 0.593 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.7 | -50.7 | -178.8 | -171.8 | 165.5 | -154.9 | 0 | 0 | 111 | Y618 A619 V624 E625 V626 | Y618-E622 WeakPolarHBondContact O-CB 3.42Å; Y618-E622 PolarHBondContact O-N 2.75Å; A619-E622 PolarHBondContact O-N 2.63Å; E622-V624 VanDerWaalsContact C-N 3.3Å; E622-V624 PolarHBondContact O-N 3.39Å; E622-E625 PolarHBondContact O-N 3.43Å; E622-V626 WeakPolarHBondContact O-CG2 3.38Å; E622-V626 PolarHBondContact O-N 3.47Å |
| 623 | E | 96.7 | Very high | 97.9 | Very high | 125 Ų | 125 | 100.5 Ų | 100.5 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.1 | -40.1 | 172.3 | -69.3 | -70.9 | 158.9 | 0 | 0 | 112.4 | A619 L627 | A619-E623 WeakPolarHBondContact O-CB 3.18Å; A619-E623 VanDerWaalsContact O-CG 3.28Å; A619-E623 WeakPolarHBondContact O-CG 3.2Å; A619-E623 PolarHBondContact O-N 2.98Å; E623-L627 VanDerWaalsContact O-CB 3.3Å; E623-L627 WeakPolarHBondContact O-CB 3.36Å; E623-L627 WeakPolarHBondContact O-CD1 3.48Å; E623-L627 WeakPolarHBondContact O-CG 3.45Å; E623-L627 PolarHBondContact O-N 3.21Å |
| 624 | V | 98.3 | Very high | 98 | Very high | 62 Ų | 62 | 99.9 Ų | 99.9 | 38% | 0.376 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.1 | -28.8 | 176.7 | 164.3 | 0 | 0 | 0 | 0 | 112.6 | V620 R621 E622 K628 | V620-V624 VanDerWaalsContact O-CB 3.31Å; V620-V624 WeakPolarHBondContact O-CB 3.28Å; V620-V624 WeakPolarHBondContact O-CG2 3.29Å; V620-V624 PolarHBondContact O-N 2.89Å; R621-V624 CarbonylContact O-C 3.53Å; R621-V624 PolarHBondContact O-N 3.24Å; R621-V624 VanDerWaalsContact O-N 3.16Å; E622-V624 VanDerWaalsContact C-N 3.3Å; E622-V624 PolarHBondContact O-N 3.39Å; V624-K628 HydrophobicContact CG1-CD 4.37Å; V624-K628 WeakPolarHBondContact O-CD 3.44Å; V624-K628 WeakPolarHBondContact O-CG 3.3Å; V624-K628 PolarHBondContact O-N 3.25Å |
| 625 | E | 98.1 | Very high | 98 | Very high | 108 Ų | 108 | 104.9 Ų | 104.9 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.6 | -40.5 | 175.4 | -76.6 | 167.6 | -166.6 | 0 | 0 | 111 | R621 E622 K628 E629 | R621-E625 WeakPolarHBondContact CD-OE1 3.12Å; R621-E625 HydrophobicContact CG-CG 4.4Å; R621-E625 WeakPolarHBondContact CG-OE1 3.31Å; R621-E625 WeakPolarHBondContact O-CB 3.14Å; R621-E625 WeakPolarHBondContact O-CG 3.44Å; R621-E625 PolarHBondContact O-N 2.92Å; E622-E625 PolarHBondContact O-N 3.43Å; E625-K628 PolarHBondContact O-N 3.36Å; E625-E629 PolarHBondContact O-N 3.47Å; E625-E629 VanDerWaalsContact O-N 3.1Å |
| 626 | V | 98.3 | Very high | 98 | Very high | 71 Ų | 71 | 107.5 Ų | 107.5 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 169.7 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | E622 K628 E629 Q630 | E622-V626 WeakPolarHBondContact O-CG2 3.38Å; E622-V626 PolarHBondContact O-N 3.47Å; V626-K628 VanDerWaalsContact C-N 3.31Å; V626-K628 PolarHBondContact O-N 3.25Å; V626-E629 PolarHBondContact O-N 3.3Å; V626-Q630 HydrophobicContact CG1-CG 4.41Å; V626-Q630 WeakPolarHBondContact O-CG 3.25Å; V626-Q630 PolarHBondContact O-N 2.89Å |
| 627 | L | 98.4 | Very high | 98 | Very high | 88 Ų | 88 | 109.6 Ų | 109.6 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 178 | -76.9 | 167.6 | 0 | 0 | 0 | 112.5 | E623 I631 | E623-L627 VanDerWaalsContact O-CB 3.3Å; E623-L627 WeakPolarHBondContact O-CB 3.36Å; E623-L627 WeakPolarHBondContact O-CD1 3.48Å; E623-L627 WeakPolarHBondContact O-CG 3.45Å; E623-L627 PolarHBondContact O-N 3.21Å; L627-I631 WeakPolarHBondContact O-CB 3.42Å; L627-I631 WeakPolarHBondContact O-CD1 3.46Å; L627-I631 WeakPolarHBondContact O-CG1 3.43Å; L627-I631 PolarHBondContact O-N 2.82Å |
| 628 | K | 98.2 | Very high | 98 | Very high | 128 Ų | 128 | 108 Ų | 108 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 174.9 | -78.1 | 165.4 | -174.3 | 169.7 | 0 | 112.1 | V624 E625 V626 I631 K632 | V624-K628 HydrophobicContact CG1-CD 4.37Å; V624-K628 WeakPolarHBondContact O-CD 3.44Å; V624-K628 WeakPolarHBondContact O-CG 3.3Å; V624-K628 PolarHBondContact O-N 3.25Å; E625-K628 PolarHBondContact O-N 3.36Å; V626-K628 VanDerWaalsContact C-N 3.31Å; V626-K628 PolarHBondContact O-N 3.25Å; K628-I631 PolarHBondContact O-N 3.01Å; K628-K632 WeakPolarHBondContact O-CB 3.09Å; K628-K632 PolarHBondContact O-N 3.33Å |
| 629 | E | 98.1 | Very high | 98.1 | Very high | 102 Ų | 102 | 103.6 Ų | 103.6 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.8 | -38 | 179.9 | -168.4 | 56.5 | -149.7 | 0 | 0 | 111.3 | E625 V626 K632 E633 | E625-E629 PolarHBondContact O-N 3.47Å; E625-E629 VanDerWaalsContact O-N 3.1Å; V626-E629 PolarHBondContact O-N 3.3Å; E629-K632 WeakPolarHBondContact O-CB 3.5Å; E629-K632 PolarHBondContact O-N 3.15Å; E629-K632 IonicContact OE1-NZ 2.58Å; E629-K632 PolarHBondContact OE1-NZ 3.32Å; E629-K632 IonicContact OE2-NZ 2.76Å; E629-K632 PolarHBondContact OE2-NZ 2.75Å; E629-E633 PolarHBondContact O-N 3.31Å |
| 630 | Q | 98.1 | Very high | 98.1 | Very high | 98 Ų | 98 | 104.6 Ų | 104.6 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 170.5 | -72.7 | 177.7 | 2.1 | 0 | 0 | 112.6 | V626 K632 E633 L634 | V626-Q630 HydrophobicContact CG1-CG 4.41Å; V626-Q630 WeakPolarHBondContact O-CG 3.25Å; V626-Q630 PolarHBondContact O-N 2.89Å; Q630-K632 VanDerWaalsContact C-N 3.29Å; Q630-K632 PolarHBondContact O-N 3.02Å; Q630-E633 PolarHBondContact O-N 3.04Å; Q630-L634 VanDerWaalsContact O-CB 3.3Å; Q630-L634 WeakPolarHBondContact O-CB 3.42Å; Q630-L634 VanDerWaalsContact O-CG 3.25Å; Q630-L634 WeakPolarHBondContact O-CG 3.13Å; Q630-L634 PolarHBondContact O-N 3.06Å |
| 631 | I | 98.4 | Very high | 98 | Very high | 117 Ų | 117 | 104.1 Ų | 104.1 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -40.1 | 175.2 | -72.1 | 163.6 | 0 | 0 | 0 | 110.7 | L627 K628 F635 | L627-I631 WeakPolarHBondContact O-CB 3.42Å; L627-I631 WeakPolarHBondContact O-CD1 3.46Å; L627-I631 WeakPolarHBondContact O-CG1 3.43Å; L627-I631 PolarHBondContact O-N 2.82Å; K628-I631 PolarHBondContact O-N 3.01Å; I631-F635 VanDerWaalsContact O-CB 3.29Å; I631-F635 WeakPolarHBondContact O-CB 3.26Å; I631-F635 PolarHBondContact O-N 3.3Å |
| 632 | K | 98.5 | Very high | 98 | Very high | 114 Ų | 114 | 104.1 Ų | 104.1 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 177.7 | 167.1 | 165 | 157 | -85.1 | 0 | 112.5 | K628 E629 Q630 F635 E636 | K628-K632 WeakPolarHBondContact O-CB 3.09Å; K628-K632 PolarHBondContact O-N 3.33Å; E629-K632 WeakPolarHBondContact O-CB 3.5Å; E629-K632 PolarHBondContact O-N 3.15Å; E629-K632 IonicContact OE1-NZ 2.58Å; E629-K632 PolarHBondContact OE1-NZ 3.32Å; E629-K632 IonicContact OE2-NZ 2.76Å; E629-K632 PolarHBondContact OE2-NZ 2.75Å; Q630-K632 VanDerWaalsContact C-N 3.29Å; Q630-K632 PolarHBondContact O-N 3.02Å; K632-F635 PolarHBondContact O-N 3.31Å; K632-E636 PolarHBondContact O-N 2.86Å |
| 633 | E | 98.4 | Very high | 97.9 | Very high | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 174.7 | -167.2 | -160.5 | 151.7 | 0 | 0 | 111.1 | E629 Q630 F635 E636 R637 | E629-E633 PolarHBondContact O-N 3.31Å; Q630-E633 PolarHBondContact O-N 3.04Å; E633-F635 VanDerWaalsContact C-N 3.31Å; E633-F635 PolarHBondContact O-N 3.14Å; E633-E636 PolarHBondContact O-N 3.46Å; E633-R637 VanDerWaalsContact O-CB 3.22Å; E633-R637 WeakPolarHBondContact O-CB 3.27Å; E633-R637 PolarHBondContact O-N 3.35Å |
| 634 | L | 98.5 | Very high | 97.9 | Very high | 114 Ų | 114 | 104.2 Ų | 104.2 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -37.9 | 176.8 | -74.9 | 170.6 | 0 | 0 | 0 | 112.2 | Q630 N638 | Q630-L634 VanDerWaalsContact O-CB 3.3Å; Q630-L634 WeakPolarHBondContact O-CB 3.42Å; Q630-L634 VanDerWaalsContact O-CG 3.25Å; Q630-L634 WeakPolarHBondContact O-CG 3.13Å; Q630-L634 PolarHBondContact O-N 3.06Å; L634-N638 VanDerWaalsContact O-CB 3.25Å; L634-N638 WeakPolarHBondContact O-CB 3.22Å; L634-N638 PolarHBondContact O-N 2.93Å |
| 635 | F | 98.2 | Very high | 97.6 | Very high | 155 Ų | 155 | 105 Ų | 105 | 68% | 0.68 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.1 | -45.3 | 176.8 | -172.5 | -90.8 | 0 | 0 | 0 | 112.1 | I631 K632 E633 N638 S639 | I631-F635 VanDerWaalsContact O-CB 3.29Å; I631-F635 WeakPolarHBondContact O-CB 3.26Å; I631-F635 PolarHBondContact O-N 3.3Å; K632-F635 PolarHBondContact O-N 3.31Å; E633-F635 VanDerWaalsContact C-N 3.31Å; E633-F635 PolarHBondContact O-N 3.14Å; F635-N638 PolarHBondContact O-N 2.82Å; F635-S639 PolarHBondContact O-N 3.37Å |
| 636 | E | 98.5 | Very high | 97.5 | Very high | 132 Ų | 132 | 102.7 Ų | 102.7 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 175.7 | -178.7 | 162.7 | -147.5 | 0 | 0 | 111.4 | K632 E633 N638 S639 V640 | K632-E636 PolarHBondContact O-N 2.86Å; E633-E636 PolarHBondContact O-N 3.46Å; E636-N638 VanDerWaalsContact C-N 3.31Å; E636-N638 PolarHBondContact O-N 3.03Å; E636-S639 PolarHBondContact O-N 3.35Å; E636-V640 WeakPolarHBondContact O-CG2 3.32Å; E636-V640 PolarHBondContact O-N 2.88Å |
| 637 | R | 98.2 | Very high | 97.2 | Very high | 153 Ų | 153 | 102.8 Ų | 102.8 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.7 | -41.7 | 173.9 | -172 | -176 | -172.9 | 90.5 | 9.7 | 112 | E633 V640 L641 | E633-R637 VanDerWaalsContact O-CB 3.22Å; E633-R637 WeakPolarHBondContact O-CB 3.27Å; E633-R637 PolarHBondContact O-N 3.35Å; R637-V640 PolarHBondContact O-N 2.9Å; R637-L641 HydrophobicContact CG-CD1 4.23Å; R637-L641 WeakPolarHBondContact O-CG 3.12Å; R637-L641 PolarHBondContact O-N 2.72Å |
| 638 | N | 97.4 | Very high | 96.9 | Very high | 85 Ų | 85 | 103.9 Ų | 103.9 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 176.9 | -162.1 | 2.4 | 0 | 0 | 0 | 110.8 | L634 F635 E636 V640 L641 E642 | L634-N638 VanDerWaalsContact O-CB 3.25Å; L634-N638 WeakPolarHBondContact O-CB 3.22Å; L634-N638 PolarHBondContact O-N 2.93Å; F635-N638 PolarHBondContact O-N 2.82Å; E636-N638 VanDerWaalsContact C-N 3.31Å; E636-N638 PolarHBondContact O-N 3.03Å; N638-V640 VanDerWaalsContact C-N 3.27Å; N638-V640 PolarHBondContact O-N 2.91Å; N638-L641 CarbonylContact O-C 3.51Å; N638-L641 WeakPolarHBondContact O-CA 3.23Å; N638-L641 PolarHBondContact O-N 2.86Å; N638-E642 WeakPolarHBondContact O-CG 3.43Å; N638-E642 PolarHBondContact O-N 2.97Å |
| 639 | S | 98.2 | Very high | 96.4 | Very high | 45 Ų | 45 | 104.9 Ų | 104.9 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -32.7 | 176.1 | -171.5 | 0 | 0 | 0 | 0 | 113.6 | F635 E636 R643 | F635-S639 PolarHBondContact O-N 3.37Å; E636-S639 PolarHBondContact O-N 3.35Å; S639-R643 WeakPolarHBondContact O-CB 3.31Å; S639-R643 PolarHBondContact O-N 3.08Å |
| 640 | V | 97.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 104.4 Ų | 104.4 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -50 | 169.4 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | E636 R637 N638 E642 R643 E644 | E636-V640 WeakPolarHBondContact O-CG2 3.32Å; E636-V640 PolarHBondContact O-N 2.88Å; R637-V640 PolarHBondContact O-N 2.9Å; N638-V640 VanDerWaalsContact C-N 3.27Å; N638-V640 PolarHBondContact O-N 2.91Å; V640-E642 VanDerWaalsContact C-N 3.32Å; V640-E642 PolarHBondContact O-N 3.4Å; V640-R643 WeakPolarHBondContact O-CB 3.28Å; V640-R643 PolarHBondContact O-N 2.95Å; V640-R643 VanDerWaalsContact O-N 3.16Å; V640-E644 HydrophobicContact CG1-CG 4.43Å; V640-E644 WeakPolarHBondContact O-CG 3.47Å; V640-E644 PolarHBondContact O-N 2.77Å |
| 641 | L | 97.6 | Very high | 94.9 | Very high | 73 Ų | 73 | 106 Ų | 106 | 38% | 0.382 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -32.8 | 179.2 | -71.5 | 168.9 | 0 | 0 | 0 | 113.3 | R637 N638 N645 | R637-L641 HydrophobicContact CG-CD1 4.23Å; R637-L641 WeakPolarHBondContact O-CG 3.12Å; R637-L641 PolarHBondContact O-N 2.72Å; N638-L641 CarbonylContact O-C 3.51Å; N638-L641 WeakPolarHBondContact O-CA 3.23Å; N638-L641 PolarHBondContact O-N 2.86Å; L641-N645 VanDerWaalsContact O-CB 3.25Å; L641-N645 WeakPolarHBondContact O-CB 3.36Å; L641-N645 PolarHBondContact O-N 3.25Å; L641-N645 PolarHBondContact O-ND2 2.96Å |
| 642 | E | 96.2 | Very high | 93.6 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.7 | -43.1 | 172.9 | -75.1 | -178.5 | 144.5 | 0 | 0 | 111.3 | N638 V640 N645 A646 | N638-E642 WeakPolarHBondContact O-CG 3.43Å; N638-E642 PolarHBondContact O-N 2.97Å; V640-E642 VanDerWaalsContact C-N 3.32Å; V640-E642 PolarHBondContact O-N 3.4Å; E642-N645 PolarHBondContact O-N 2.98Å; E642-A646 WeakPolarHBondContact O-CB 3.33Å; E642-A646 PolarHBondContact O-N 3.35Å |
| 643 | R | 96.9 | Very high | 91.7 | Very high | 152 Ų | 152 | 100.7 Ų | 100.7 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 176 | -166.3 | -173.2 | -50.4 | 135.5 | 13.6 | 111.4 | S639 V640 A646 V647 | S639-R643 WeakPolarHBondContact O-CB 3.31Å; S639-R643 PolarHBondContact O-N 3.08Å; V640-R643 WeakPolarHBondContact O-CB 3.28Å; V640-R643 PolarHBondContact O-N 2.95Å; V640-R643 VanDerWaalsContact O-N 3.16Å; R643-A646 PolarHBondContact O-N 3.35Å; R643-V647 WeakPolarHBondContact O-CG2 3.3Å; R643-V647 PolarHBondContact O-N 3.22Å |
| 644 | E | 96 | Very high | 90.1 | Very high | 102 Ų | 102 | 99.5 Ų | 99.5 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 172.8 | -72.4 | 178 | 176.8 | 0 | 0 | 111.2 | V640 A646 V647 L648 | V640-E644 HydrophobicContact CG1-CG 4.43Å; V640-E644 WeakPolarHBondContact O-CG 3.47Å; V640-E644 PolarHBondContact O-N 2.77Å; E644-A646 PolarHBondContact O-N 3.22Å; E644-V647 PolarHBondContact O-N 3.34Å; E644-L648 WeakPolarHBondContact O-CB 3.41Å; E644-L648 VanDerWaalsContact O-CG 3.24Å; E644-L648 WeakPolarHBondContact O-CG 3.31Å; E644-L648 PolarHBondContact O-N 3.4Å |
| 645 | N | 93 | Very high | 88.3 | Confident | 79 Ų | 79 | 99.6 Ų | 99.6 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 174.5 | -91.1 | -90.5 | 0 | 0 | 0 | 112.8 | L641 E642 K649 | L641-N645 VanDerWaalsContact O-CB 3.25Å; L641-N645 WeakPolarHBondContact O-CB 3.36Å; L641-N645 PolarHBondContact O-N 3.25Å; L641-N645 PolarHBondContact O-ND2 2.96Å; E642-N645 PolarHBondContact O-N 2.98Å; N645-K649 VanDerWaalsContact O-CB 3.23Å; N645-K649 WeakPolarHBondContact O-CB 3.36Å; N645-K649 WeakPolarHBondContact O-CG 3.25Å; N645-K649 PolarHBondContact O-N 2.84Å |
| 646 | A | 94.1 | Very high | 86.6 | Confident | 60 Ų | 60 | 97.8 Ų | 97.8 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E642 R643 E644 K649 S650 | E642-A646 WeakPolarHBondContact O-CB 3.33Å; E642-A646 PolarHBondContact O-N 3.35Å; R643-A646 PolarHBondContact O-N 3.35Å; E644-A646 PolarHBondContact O-N 3.22Å; A646-K649 PolarHBondContact O-N 3.15Å; A646-S650 PolarHBondContact O-N 3.47Å; A646-S650 PolarHBondContact O-OG 2.75Å |
| 647 | V | 93.3 | Very high | 84.8 | Confident | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 173.3 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | R643 E644 K649 S650 L651 | R643-V647 WeakPolarHBondContact O-CG2 3.3Å; R643-V647 PolarHBondContact O-N 3.22Å; E644-V647 PolarHBondContact O-N 3.34Å; V647-K649 VanDerWaalsContact C-N 3.33Å; V647-K649 PolarHBondContact O-N 2.84Å; V647-S650 PolarHBondContact O-N 3.47Å; V647-S650 PolarHBondContact O-OG 2.84Å; V647-S650 VanDerWaalsContact O-OG 3.05Å; V647-L651 HydrophobicContact CG1-CD1 3.64Å; V647-L651 HydrophobicContact CG1-CG 4.23Å; V647-L651 WeakPolarHBondContact O-CB 3.36Å; V647-L651 VanDerWaalsContact O-CG 3.3Å; V647-L651 WeakPolarHBondContact O-CG 3.4Å; V647-L651 PolarHBondContact O-N 3.4Å |
| 648 | L | 92.2 | Very high | 83.1 | Confident | 111 Ų | 111 | 92.1 Ų | 92.1 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -36 | 176.3 | -72.5 | 169.7 | 0 | 0 | 0 | 111.8 | E644 A652 | E644-L648 WeakPolarHBondContact O-CB 3.41Å; E644-L648 VanDerWaalsContact O-CG 3.24Å; E644-L648 WeakPolarHBondContact O-CG 3.31Å; E644-L648 PolarHBondContact O-N 3.4Å; L648-A652 WeakPolarHBondContact O-CA 3.07Å; L648-A652 WeakPolarHBondContact O-CB 3.48Å; L648-A652 PolarHBondContact O-N 2.76Å |
| 649 | K | 87.8 | Confident | 81.4 | Confident | 149 Ų | 149 | 92.3 Ų | 92.3 | 65% | 0.648 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71 | -27.3 | 174.5 | -76.7 | 170.7 | -179 | 178 | 0 | 113.7 | N645 A646 V647 | N645-K649 VanDerWaalsContact O-CB 3.23Å; N645-K649 WeakPolarHBondContact O-CB 3.36Å; N645-K649 WeakPolarHBondContact O-CG 3.25Å; N645-K649 PolarHBondContact O-N 2.84Å; A646-K649 PolarHBondContact O-N 3.15Å; V647-K649 VanDerWaalsContact C-N 3.33Å; V647-K649 PolarHBondContact O-N 2.84Å |
| 650 | S | 83.7 | Confident | 79.6 | Confident | 93 Ų | 93 | 95.7 Ų | 95.7 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -87.1 | -26.4 | 175.8 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | A646 V647 | A646-S650 PolarHBondContact O-N 3.47Å; A646-S650 PolarHBondContact O-OG 2.75Å; V647-S650 PolarHBondContact O-N 3.47Å; V647-S650 PolarHBondContact O-OG 2.84Å; V647-S650 VanDerWaalsContact O-OG 3.05Å |
| 651 | L | 79.9 | Confident | 77.9 | Confident | 131 Ų | 131 | 98 Ų | 98 | 69% | 0.686 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -89.3 | -26.3 | 174.8 | -64.9 | 178.9 | 0 | 0 | 0 | 113.6 | V647 N653 | V647-L651 HydrophobicContact CG1-CD1 3.64Å; V647-L651 HydrophobicContact CG1-CG 4.23Å; V647-L651 WeakPolarHBondContact O-CB 3.36Å; V647-L651 VanDerWaalsContact O-CG 3.3Å; V647-L651 WeakPolarHBondContact O-CG 3.4Å; V647-L651 PolarHBondContact O-N 3.4Å; L651-N653 PolarHBondContact O-N 3.34Å |
| 652 | A | 71.7 | Confident | 76.2 | Confident | 38 Ų | 38 | 97.6 Ų | 97.6 | 31% | 0.314 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -67.4 | 105 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | L648 S654 L657 | L648-A652 WeakPolarHBondContact O-CA 3.07Å; L648-A652 WeakPolarHBondContact O-CB 3.48Å; L648-A652 PolarHBondContact O-N 2.76Å; A652-S654 PolarHBondContact O-N 3.15Å; A652-L657 HydrophobicContact CB-CD1 3.68Å |
| 653 | N | 59.1 | Low | 74.3 | Confident | 82 Ų | 82 | 97.6 Ų | 97.6 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | | | trans | -46.8 | 125.6 | -178.1 | 179.7 | 0.1 | 0 | 0 | 0 | 110.5 | L651 E655 Q656 L657 | L651-N653 PolarHBondContact O-N 3.34Å; N653-E655 PolarHBondContact O-N 3.4Å; N653-E655 WeakPolarHBondContact OD1-CB 3.35Å; N653-E655 PolarHBondContact OD1-N 3.21Å; N653-Q656 HydrophobicContact CB-CG 4.35Å; N653-Q656 PolarHBondContact O-N 3.49Å; N653-L657 PolarHBondContact O-N 3.17Å |
| 654 | S | 63.5 | Low | 72.4 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -50 | -33.1 | 178.1 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | A652 Q656 S658 | A652-S654 PolarHBondContact O-N 3.15Å; S654-Q656 PolarHBondContact O-N 3.21Å; S654-S658 WeakPolarHBondContact O-CB 3.48Å; S654-S658 PolarHBondContact O-N 2.88Å; S654-S658 PolarHBondContact O-OG 3.4Å |
| 655 | E | 61.9 | Low | 70.5 | Confident | 116 Ų | 116 | 92 Ų | 92 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 174.8 | -151.5 | -171.1 | 118.6 | 0 | 0 | 113 | N653 S658 Q659 | N653-E655 PolarHBondContact O-N 3.4Å; N653-E655 WeakPolarHBondContact OD1-CB 3.35Å; N653-E655 PolarHBondContact OD1-N 3.21Å; E655-S658 PolarHBondContact O-N 2.79Å; E655-Q659 WeakPolarHBondContact O-CB 3.5Å; E655-Q659 VanDerWaalsContact O-CG 3.23Å; E655-Q659 WeakPolarHBondContact O-CG 3.43Å; E655-Q659 PolarHBondContact O-N 2.93Å; E655-Q659 PolarHBondContact OE1-NE2 3.46Å |
| 656 | Q | 62.9 | Low | 68.8 | Low | 117 Ų | 117 | 91 Ų | 91 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.1 | -36.9 | -179.9 | -69.4 | -166 | -51.4 | 0 | 0 | 113.2 | N653 S654 S658 Q659 L660 | N653-Q656 HydrophobicContact CB-CG 4.35Å; N653-Q656 PolarHBondContact O-N 3.49Å; S654-Q656 PolarHBondContact O-N 3.21Å; Q656-S658 VanDerWaalsContact C-N 3.29Å; Q656-Q659 PolarHBondContact O-N 3.23Å; Q656-L660 PolarHBondContact O-N 3.08Å |
| 657 | L | 60.1 | Low | 66.9 | Low | 95 Ų | 95 | 92.4 Ų | 92.4 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 169.6 | -90.3 | 78.2 | 0 | 0 | 0 | 110.8 | A652 N653 L660 T661 | A652-L657 HydrophobicContact CB-CD1 3.68Å; N653-L657 PolarHBondContact O-N 3.17Å; L657-L660 PolarHBondContact O-N 2.87Å; L657-T661 WeakPolarHBondContact O-CB 3.46Å; L657-T661 PolarHBondContact O-N 2.97Å; L657-T661 PolarHBondContact O-OG1 3.42Å |
| 658 | S | 63.3 | Low | 65 | Low | 70 Ų | 70 | 93 Ų | 93 | 49% | 0.49 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | S654 E655 Q656 T661 A662 | S654-S658 WeakPolarHBondContact O-CB 3.48Å; S654-S658 PolarHBondContact O-N 2.88Å; S654-S658 PolarHBondContact O-OG 3.4Å; E655-S658 PolarHBondContact O-N 2.79Å; Q656-S658 VanDerWaalsContact C-N 3.29Å; S658-T661 PolarHBondContact O-N 2.83Å; S658-A662 WeakPolarHBondContact O-CB 3.35Å; S658-A662 PolarHBondContact O-N 3.12Å |
| 659 | Q | 60.3 | Low | 63.2 | Low | 90 Ų | 90 | 90.9 Ų | 90.9 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 177 | -74.8 | 174.5 | 31.9 | 0 | 0 | 113.1 | E655 Q656 A662 Q663 | E655-Q659 WeakPolarHBondContact O-CB 3.5Å; E655-Q659 VanDerWaalsContact O-CG 3.23Å; E655-Q659 WeakPolarHBondContact O-CG 3.43Å; E655-Q659 PolarHBondContact O-N 2.93Å; E655-Q659 PolarHBondContact OE1-NE2 3.46Å; Q656-Q659 PolarHBondContact O-N 3.23Å; Q659-A662 PolarHBondContact O-N 2.87Å; Q659-Q663 WeakPolarHBondContact O-CB 3.5Å; Q659-Q663 WeakPolarHBondContact O-CG 3.28Å; Q659-Q663 PolarHBondContact O-N 3.27Å |
| 660 | L | 60 | Low | 61.7 | Low | 116 Ų | 116 | 88.8 Ų | 88.8 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 173.6 | -104.6 | 70.4 | 0 | 0 | 0 | 111.8 | Q656 L657 A662 Q663 T664 | Q656-L660 PolarHBondContact O-N 3.08Å; L657-L660 PolarHBondContact O-N 2.87Å; L660-A662 VanDerWaalsContact C-N 3.33Å; L660-A662 PolarHBondContact O-N 3.29Å; L660-Q663 PolarHBondContact O-N 2.93Å; L660-T664 PolarHBondContact O-N 3.3Å; L660-T664 PolarHBondContact O-OG1 3.33Å |
| 661 | T | 63.2 | Low | 60.3 | Low | 99 Ų | 99 | 87.5 Ų | 87.5 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.8 | -36.5 | 178 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | L657 S658 T664 G665 | L657-T661 WeakPolarHBondContact O-CB 3.46Å; L657-T661 PolarHBondContact O-N 2.97Å; L657-T661 PolarHBondContact O-OG1 3.42Å; S658-T661 PolarHBondContact O-N 2.83Å; T661-T664 PolarHBondContact O-OG1 3Å; T661-T664 VanDerWaalsContact O-OG1 3.08Å; T661-G665 PolarHBondContact O-N 3.44Å |
| 662 | A | 60.4 | Low | 59.1 | Low | 65 Ų | 65 | 84.7 Ų | 84.7 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S658 Q659 L660 G665 A666 | S658-A662 WeakPolarHBondContact O-CB 3.35Å; S658-A662 PolarHBondContact O-N 3.12Å; Q659-A662 PolarHBondContact O-N 2.87Å; L660-A662 VanDerWaalsContact C-N 3.33Å; L660-A662 PolarHBondContact O-N 3.29Å; A662-G665 PolarHBondContact O-N 3.4Å; A662-A666 WeakPolarHBondContact O-CB 3.4Å; A662-A666 PolarHBondContact O-N 2.98Å |
| 663 | Q | 56.7 | Low | 58 | Low | 119 Ų | 119 | 86.2 Ų | 86.2 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.3 | -34.2 | 178.6 | -76.3 | -178.5 | 49.3 | 0 | 0 | 113.8 | Q659 L660 G665 A666 T667 | Q659-Q663 WeakPolarHBondContact O-CB 3.5Å; Q659-Q663 WeakPolarHBondContact O-CG 3.28Å; Q659-Q663 PolarHBondContact O-N 3.27Å; L660-Q663 PolarHBondContact O-N 2.93Å; Q663-G665 VanDerWaalsContact C-N 3.35Å; Q663-A666 PolarHBondContact O-N 3.28Å; Q663-T667 WeakPolarHBondContact O-CB 3.38Å; Q663-T667 WeakPolarHBondContact O-CG2 3.48Å; Q663-T667 PolarHBondContact O-N 3.24Å; Q663-T667 PolarHBondContact O-OG1 3.39Å |
| 664 | T | 58 | Low | 57.7 | Low | 92 Ų | 92 | 86 Ų | 86 | 56% | 0.564 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.3 | -34.9 | 172.6 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | L660 T661 T667 S668 | L660-T664 PolarHBondContact O-N 3.3Å; L660-T664 PolarHBondContact O-OG1 3.33Å; T661-T664 PolarHBondContact O-OG1 3Å; T661-T664 VanDerWaalsContact O-OG1 3.08Å; T664-T667 WeakPolarHBondContact CA-OG1 3.49Å; T664-T667 PolarHBondContact O-OG1 3.04Å; T664-S668 WeakPolarHBondContact O-CB 3.44Å; T664-S668 PolarHBondContact O-N 3.03Å |
| 665 | G | 56.5 | Low | 57.1 | Low | 46 Ų | 46 | 86 Ų | 86 | 47% | 0.474 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.9 | -49.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T661 A662 Q663 A669 | T661-G665 PolarHBondContact O-N 3.44Å; A662-G665 PolarHBondContact O-N 3.4Å; Q663-G665 VanDerWaalsContact C-N 3.35Å; G665-A669 PolarHBondContact O-N 2.85Å |
| 666 | A | 55.9 | Low | 56.6 | Low | 57 Ų | 57 | 84.8 Ų | 84.8 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.2 | -41.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | A662 Q663 A669 V670 | A662-A666 WeakPolarHBondContact O-CB 3.4Å; A662-A666 PolarHBondContact O-N 2.98Å; Q663-A666 PolarHBondContact O-N 3.28Å; A666-A669 PolarHBondContact O-N 3.47Å; A666-V670 PolarHBondContact O-N 3.12Å |
| 667 | T | 54.4 | Low | 56 | Low | 90 Ų | 90 | 82.8 Ų | 82.8 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.4 | -35.9 | -179.9 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | Q663 T664 A669 V670 A671 | Q663-T667 WeakPolarHBondContact O-CB 3.38Å; Q663-T667 WeakPolarHBondContact O-CG2 3.48Å; Q663-T667 PolarHBondContact O-N 3.24Å; Q663-T667 PolarHBondContact O-OG1 3.39Å; T664-T667 WeakPolarHBondContact CA-OG1 3.49Å; T664-T667 PolarHBondContact O-OG1 3.04Å; T667-A669 PolarHBondContact O-N 3.43Å; T667-V670 PolarHBondContact O-N 3.49Å; T667-A671 PolarHBondContact O-N 3.22Å |
| 668 | S | 54.4 | Low | 55.1 | Low | 85 Ų | 85 | 85 Ų | 85 | 59% | 0.594 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.3 | -40.5 | 174.8 | -162.1 | 0 | 0 | 0 | 0 | 112.5 | T664 A671 A672 | T664-S668 WeakPolarHBondContact O-CB 3.44Å; T664-S668 PolarHBondContact O-N 3.03Å; S668-A671 PolarHBondContact O-N 3.22Å; S668-A672 PolarHBondContact O-N 3.29Å |
| 669 | A | 54.5 | Low | 54.3 | Low | 66 Ų | 66 | 87.9 Ų | 87.9 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.7 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G665 A666 T667 A672 A673 | G665-A669 PolarHBondContact O-N 2.85Å; A666-A669 PolarHBondContact O-N 3.47Å; T667-A669 PolarHBondContact O-N 3.43Å; A669-A672 PolarHBondContact O-N 3.13Å; A669-A673 PolarHBondContact O-N 3.37Å |
| 670 | V | 55.7 | Low | 52.9 | Low | 104 Ų | 104 | 87.3 Ų | 87.3 | 63% | 0.63 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.9 | -37.3 | 178 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | A666 T667 A672 A673 A674 | A666-V670 PolarHBondContact O-N 3.12Å; T667-V670 PolarHBondContact O-N 3.49Å; V670-A672 VanDerWaalsContact C-N 3.35Å; V670-A672 PolarHBondContact O-N 3.37Å; V670-A673 PolarHBondContact O-N 3.24Å; V670-A674 PolarHBondContact O-N 3.16Å |
| 671 | A | 54.7 | Low | 51.7 | Low | 67 Ų | 67 | 87 Ų | 87 | 55% | 0.554 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.3 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T667 S668 | T667-A671 PolarHBondContact O-N 3.22Å; S668-A671 PolarHBondContact O-N 3.22Å |
| 672 | A | 53 | Low | 50.3 | Low | 72 Ų | 72 | 87.8 Ų | 87.8 | 60% | 0.595 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.8 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S668 A669 V670 A674 A675 | S668-A672 PolarHBondContact O-N 3.29Å; A669-A672 PolarHBondContact O-N 3.13Å; V670-A672 VanDerWaalsContact C-N 3.35Å; V670-A672 PolarHBondContact O-N 3.37Å; A672-A674 PolarHBondContact O-N 3.39Å; A672-A675 PolarHBondContact O-N 3.13Å |
| 673 | A | 50.3 | Low | 49.1 | Very low | 69 Ų | 69 | 90 Ų | 90 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.4 | -34.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A669 V670 A675 | A669-A673 PolarHBondContact O-N 3.37Å; V670-A673 PolarHBondContact O-N 3.24Å; A673-A675 VanDerWaalsContact C-N 3.28Å; A673-A675 PolarHBondContact O-N 3.05Å |
| 674 | A | 51.3 | Low | 48.1 | Very low | 79 Ų | 79 | 88.7 Ų | 88.7 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.1 | -23.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | V670 A672 A676 | V670-A674 PolarHBondContact O-N 3.16Å; A672-A674 PolarHBondContact O-N 3.39Å; A674-A676 VanDerWaalsContact C-N 3.32Å; A674-A676 PolarHBondContact O-N 3.36Å |
| 675 | A | 51.9 | Low | 47.6 | Very low | 91 Ų | 91 | 90.4 Ų | 90.4 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -12.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A672 A673 | A672-A675 PolarHBondContact O-N 3.13Å; A673-A675 VanDerWaalsContact C-N 3.28Å; A673-A675 PolarHBondContact O-N 3.05Å |
| 676 | A | 50.2 | Low | 46.6 | Very low | 92 Ų | 92 | 91.5 Ų | 91.5 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 3.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A674 | A674-A676 VanDerWaalsContact C-N 3.32Å; A674-A676 PolarHBondContact O-N 3.36Å |
| 677 | A | 51.8 | Low | 45.5 | Very low | 75 Ų | 75 | 97.5 Ų | 97.5 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | | | trans | -129.6 | 43.2 | -155.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 678 | T | 39.8 | Very low | 44.6 | Very low | 141 Ų | 141 | 101.8 Ų | 101.8 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | | | trans | -159.7 | 126.7 | 158.1 | -12.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 679 | P | 46.3 | Very low | 43.7 | Very low | 130 Ų | 130 | 106.7 Ų | 106.7 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | | | trans | -107.4 | 139.4 | 167.9 | 36.1 | -28.1 | 0 | 0 | 0 | 112.6 | | |
| 680 | G | 32.6 | Very low | 43 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | 165.1 | 127.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 681 | S | 34.3 | Very low | 41.9 | Very low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -49.2 | 161.1 | 171.7 | 54 | 0 | 0 | 0 | 0 | 115 | | |
| 682 | T | 33.9 | Very low | 41.5 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | cis | -167.9 | 159.1 | 40.7 | -31.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 683 | S | 34.1 | Very low | 40.5 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | 55.1 | 121 | 151.3 | 56.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 684 | A | 37.2 | Very low | 39.9 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -87.4 | 174.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 685 | P | 46.5 | Very low | 39.2 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | | -143 | 144.6 | 55.4 | 38 | -18.4 | 0 | 0 | 0 | 118.2 | | |
| 686 | G | 34.8 | Very low | 38.5 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | | 59.6 | 112 | 128.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 687 | L | 34.1 | Very low | 38.1 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | | | | -136.8 | 131.6 | 120.9 | -85.6 | -175 | 0 | 0 | 0 | 109.4 | | |
| 688 | Q | 36.1 | Very low | 37.3 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | | | trans | -100 | 129.5 | 170.6 | -66.6 | 177.9 | 7.8 | 0 | 0 | 109 | | |
| 689 | Q | 35.6 | Very low | 37.1 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -130.2 | 101.8 | 158.8 | -171.1 | 154.2 | 41 | 0 | 0 | 109.2 | | |
| 690 | L | 38.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | | | trans | -71.5 | 138.6 | 175.8 | -74.3 | 156.9 | 0 | 0 | 0 | 110.2 | | |
| 691 | H | 33.4 | Very low | 36.6 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | | | trans | -137.8 | 143.8 | 155.4 | -113.4 | 62.1 | 0 | 0 | 0 | 110.1 | | |
| 692 | P | 45.6 | Very low | 37 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 152.1 | -163.9 | -8.9 | 29.1 | 0 | 0 | 0 | 113.7 | | |
| 693 | K | 33 | Very low | 36.9 | Very low | 188 Ų | 188 | 151.2 Ų | 151.2 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 135.2 | 167.4 | 176.5 | 178.8 | 175.9 | 177.2 | 0 | 110.2 | | |
| 694 | P | 37.2 | Very low | 37 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.9 | 176.3 | 27.7 | -34.4 | 0 | 0 | 0 | 111.6 | | |
| 695 | Q | 36.3 | Very low | 36.8 | Very low | 190 Ų | 190 | 156.5 Ų | 156.5 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 141.1 | 171.7 | -79.2 | -178.9 | -47.9 | 0 | 0 | 111.3 | | |
| 696 | Q | 36.7 | Very low | 36.3 | Very low | 181 Ų | 181 | 158.3 Ų | 158.3 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 129 | 173.3 | -177.9 | 177.6 | -1.7 | 0 | 0 | 109.5 | Q698 | Q696-Q698 PolarHBondContact O-N 3Š|
| 697 | P | 41.9 | Very low | 36.2 | Very low | 128 Ų | 128 | 162.3 Ų | 162.3 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.8 | 179 | -22.3 | 34.1 | 0 | 0 | 0 | 112.4 | | |
| 698 | Q | 35.2 | Very low | 36.6 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -106.2 | 136.4 | 172.1 | -167 | 176.4 | 16.6 | 0 | 0 | 108.8 | Q696 Q700 | Q696-Q698 PolarHBondContact O-N 3Å; Q698-Q700 PolarHBondContact O-N 3.23Å |
| 699 | P | 35.8 | Very low | 36.6 | Very low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69 | 120.9 | -175.7 | 26.6 | -34.2 | 0 | 0 | 0 | 111.6 | | |
| 700 | Q | 32.8 | Very low | 36.7 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 131.7 | 175.8 | -70.8 | -177.9 | -23.8 | 0 | 0 | 111.4 | Q698 | Q698-Q700 PolarHBondContact O-N 3.23Š|
| 701 | Q | 35.8 | Very low | 36.7 | Very low | 183 Ų | 183 | 152.4 Ų | 152.4 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 140.1 | 161.1 | -68.5 | -175.1 | -14 | 0 | 0 | 109.7 | Q703 | Q701-Q703 PolarHBondContact O-N 3.13Š|
| 702 | P | 42.3 | Very low | 37.1 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | trans | -73 | 110.4 | 174.1 | 29.1 | -32.9 | 0 | 0 | 0 | 110.6 | | |
| 703 | Q | 32.7 | Very low | 36.6 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -89.2 | 105.4 | 176.7 | -168.6 | 177.2 | 18 | 0 | 0 | 110.2 | Q701 Q705 | Q701-Q703 PolarHBondContact O-N 3.13Å; Q703-Q705 PolarHBondContact O-N 3.48Å; Q703-Q705 VanDerWaalsContact O-N 3.13Å |
| 704 | T | 36.1 | Very low | 37.3 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -74.1 | 103.1 | -179 | -38.8 | 0 | 0 | 0 | 0 | 111 | L706 | T704-L706 PolarHBondContact O-N 3.22Š|
| 705 | Q | 32.8 | Very low | 37.2 | Very low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -73.8 | 120.3 | 175.7 | -169 | 169.5 | 11.6 | 0 | 0 | 110.5 | Q703 D707 | Q703-Q705 PolarHBondContact O-N 3.48Å; Q703-Q705 VanDerWaalsContact O-N 3.13Å; Q705-D707 PolarHBondContact O-N 3.43Å |
| 706 | L | 36 | Very low | 37.8 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | | | trans | -84 | 108.9 | 175.2 | -74.7 | 168.6 | 0 | 0 | 0 | 110 | T704 | T704-L706 PolarHBondContact O-N 3.22Š|
| 707 | D | 32.5 | Very low | 38.3 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -81.7 | 143.1 | 166 | -178 | 52.6 | 0 | 0 | 0 | 111.3 | Q705 G709 | Q705-D707 PolarHBondContact O-N 3.43Å; D707-G709 PolarHBondContact O-N 3.4Å |
| 708 | A | 43.1 | Very low | 38.1 | Very low | 83 Ų | 83 | 144.7 Ų | 144.7 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | | | trans | -94.9 | 58.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q710 | A708-Q710 PolarHBondContact O-NE2 3.39Š|
| 709 | G | 36.2 | Very low | 38.4 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 65% | 0.649 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D707 | D707-G709 PolarHBondContact O-N 3.4Š|
| 710 | Q | 36 | Very low | 38.6 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 84% | 0.841 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 141.5 | -173.3 | -94.9 | 81.6 | 79 | 0 | 0 | 115.3 | A708 P712 | A708-Q710 PolarHBondContact O-NE2 3.39Å; Q710-P712 WeakPolarHBondContact O-CD 3.5Å |
| 711 | Q | 39 | Very low | 38.9 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 124.6 | 162.3 | 173.2 | -169 | -17.1 | 0 | 0 | 111.2 | | |
| 712 | P | 42.3 | Very low | 39 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 134.6 | 164.7 | 32.2 | -31.2 | 0 | 0 | 0 | 111.1 | Q710 | Q710-P712 WeakPolarHBondContact O-CD 3.5Š|
| 713 | Q | 36 | Very low | 38.8 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 78% | 0.78 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 150.9 | 167 | -71.7 | -164 | 13.3 | 0 | 0 | 111.4 | N715 | Q713-N715 PolarHBondContact O-N 3.25Š|
| 714 | P | 47.4 | Very low | 39.2 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | | | trans | -77.2 | 104.6 | 172.3 | 31.5 | -32.3 | 0 | 0 | 0 | 110.3 | | |
| 715 | N | 34.2 | Very low | 39.4 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | | | trans | -87.9 | 134.2 | 168.4 | -166.2 | 25.8 | 0 | 0 | 0 | 110.9 | Q713 | Q713-N715 PolarHBondContact O-N 3.25Š|
| 716 | V | 48.7 | Very low | 39.9 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 71% | 0.709 | 83% | 0.83 | S | S | * | * | | | trans | -99.8 | 141.9 | 173.3 | -69.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 717 | T | 47.5 | Very low | 40.2 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | trans | 178.1 | 149.7 | 142.1 | -78.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 718 | S | 38.5 | Very low | 40.9 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | | | trans | -52.8 | 152.8 | -174.2 | -39.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 719 | A | 41.4 | Very low | 40.7 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 100% | 1.446 | 84% | 0.84 | S | S | * | * | | | | -130.5 | 0 | 125.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |