| 1 | M | 43 | Very low | 54.7 | Low | 249 Ų | 249 | 138.6 Ų | 138.6 | 100% | 1.227 | 83% | 0.833 | S | S | * | * | | | | 0 | 132.7 | 0 | -58.3 | -171.6 | -179.8 | 0 | 0 | 106.5 | | |
| 2 | S | 52.7 | Low | 54.9 | Low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | | | cis | -156.7 | 129.5 | 10.6 | -176.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 3 | S | 60.4 | Low | 54.5 | Low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | | | trans | -61.9 | 138.6 | 167.6 | -52 | 0 | 0 | 0 | 0 | 109.8 | | |
| 4 | Q | 61.6 | Low | 54.9 | Low | 170 Ų | 170 | 136.4 Ų | 136.4 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | trans | -168.6 | 92.1 | 142.5 | -102.8 | 156.8 | 102.3 | 0 | 0 | 109.7 | S6 | Q4-S6 VanDerWaalsContact O-N 3.11Å; Q4-S6 PolarHBondContact O-N 2.94Å |
| 5 | Q | 54.9 | Low | 55.2 | Low | 201 Ų | 201 | 140.5 Ų | 140.5 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | | | trans | -59.2 | 104.5 | 163.6 | -169.8 | 171.4 | -10.7 | 0 | 0 | 107.5 | A7 | Q5-A7 PolarHBondContact O-N 3.11Š|
| 6 | S | 55.3 | Low | 54.8 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -75.2 | 115.9 | -176.9 | -84.2 | 0 | 0 | 0 | 0 | 111.2 | Q4 | Q4-S6 VanDerWaalsContact O-N 3.11Å; Q4-S6 PolarHBondContact O-N 2.94Å |
| 7 | A | 57.2 | Low | 55 | Low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 82% | 0.815 | S | S | * | * | | | trans | 39.9 | 96.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q5 S9 | Q5-A7 PolarHBondContact O-N 3.11Å; A7-S9 PolarHBondContact O-N 2.9Å |
| 8 | A | 54.9 | Low | 55.3 | Low | 100 Ų | 100 | 133.3 Ų | 133.3 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | -48.6 | 109.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | A10 | A8-A10 PolarHBondContact O-N 2.95Š|
| 9 | S | 50.3 | Low | 55.7 | Low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -60.6 | 93.1 | 167.3 | -86.7 | 0 | 0 | 0 | 0 | 107.4 | A7 K11 | A7-S9 PolarHBondContact O-N 2.9Å; S9-K11 PolarHBondContact O-N 2.86Å |
| 10 | A | 55.3 | Low | 56.1 | Low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -64.2 | 87.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | A8 G12 | A8-A10 PolarHBondContact O-N 2.95Å; A10-G12 VanDerWaalsContact C-N 3.3Å; A10-G12 PolarHBondContact O-N 2.81Å |
| 11 | K | 56.3 | Low | 56.3 | Low | 184 Ų | 184 | 132 Ų | 132 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | -55.8 | 104.6 | 163.6 | -77.4 | -178.2 | 177.3 | 179.4 | 0 | 105.4 | S9 F13 | S9-K11 PolarHBondContact O-N 2.86Å; K11-F13 WeakPolarHBondContact O-CD2 3.47Å; K11-F13 PolarHBondContact O-N 2.79Å |
| 12 | G | 56.8 | Low | 57.5 | Low | 67 Ų | 67 | 124.3 Ų | 124.3 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -54.3 | 108.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | A10 S14 | A10-G12 VanDerWaalsContact C-N 3.3Å; A10-G12 PolarHBondContact O-N 2.81Å; G12-S14 PolarHBondContact O-N 3.31Å |
| 13 | F | 50.3 | Low | 58.1 | Low | 198 Ų | 198 | 125.3 Ų | 125.3 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | | | trans | -67.1 | 95.8 | 163.1 | -72.7 | -85.6 | 0 | 0 | 0 | 105.8 | K11 K15 | K11-F13 WeakPolarHBondContact O-CD2 3.47Å; K11-F13 PolarHBondContact O-N 2.79Å; F13-K15 VanDerWaalsContact C-N 3.29Å; F13-K15 PolarHBondContact O-N 3.49Å |
| 14 | S | 59.8 | Low | 57.7 | Low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -55 | 101.8 | 163.9 | -68.8 | 0 | 0 | 0 | 0 | 106 | G12 G16 | G12-S14 PolarHBondContact O-N 3.31Å; S14-G16 PolarHBondContact O-N 2.78Å |
| 15 | K | 59.4 | Low | 57.9 | Low | 199 Ų | 199 | 123.2 Ų | 123.2 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | | | trans | -62.7 | 87.8 | 167.7 | -85 | 176 | 174.2 | 171.4 | 0 | 105.7 | F13 S17 | F13-K15 VanDerWaalsContact C-N 3.29Å; F13-K15 PolarHBondContact O-N 3.49Å; K15-S17 PolarHBondContact O-N 2.85Å |
| 16 | G | 49.3 | Very low | 58.7 | Low | 59 Ų | 59 | 118 Ų | 118 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -51 | 117.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | S14 S18 | S14-G16 PolarHBondContact O-N 2.78Å; G16-S18 PolarHBondContact O-OG 2.86Å; G16-S18 PolarHBondContact O-N 2.76Å |
| 17 | S | 57.6 | Low | 59 | Low | 118 Ų | 118 | 118.7 Ų | 118.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -59.8 | 94.1 | 171.9 | -68.7 | 0 | 0 | 0 | 0 | 107.3 | K15 Q19 | K15-S17 PolarHBondContact O-N 2.85Å; S17-Q19 PolarHBondContact O-N 3.07Å |
| 18 | S | 60.1 | Low | 59.9 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -63.2 | 93.1 | 164.6 | -42.1 | 0 | 0 | 0 | 0 | 105.6 | G16 G20 | G16-S18 PolarHBondContact O-OG 2.86Å; G16-S18 PolarHBondContact O-N 2.76Å; S18-G20 PolarHBondContact O-N 3.22Å |
| 19 | Q | 62.7 | Low | 60.4 | Low | 191 Ų | 191 | 119.9 Ų | 119.9 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -60.4 | 91.6 | 155.5 | -87.3 | 172.7 | -28.8 | 0 | 0 | 104.9 | S17 | S17-Q19 PolarHBondContact O-N 3.07Š|
| 20 | G | 64.8 | Low | 61.1 | Low | 49 Ų | 49 | 120.7 Ų | 120.7 | 51% | 0.505 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 154 | 175 | 0 | 0 | 0 | 0 | 0 | 109.3 | S18 A22 | S18-G20 PolarHBondContact O-N 3.22Å; G20-A22 PolarHBondContact O-N 2.78Å |
| 21 | P | 59.1 | Low | 61.4 | Low | 132 Ų | 132 | 121.8 Ų | 121.8 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 131.4 | 178.8 | 21.6 | -31.7 | 0 | 0 | 0 | 109.3 | | |
| 22 | A | 67.9 | Low | 61.7 | Low | 88 Ų | 88 | 117.3 Ų | 117.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 141.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G20 C24 | G20-A22 PolarHBondContact O-N 2.78Å; A22-C24 PolarHBondContact O-N 3.22Å |
| 23 | P | 65.5 | Low | 61.6 | Low | 125 Ų | 125 | 120 Ų | 120 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 128.9 | 176.7 | 23.5 | -31.6 | 0 | 0 | 0 | 108.8 | | |
| 24 | C | 53.5 | Low | 61.8 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 143 | 178.5 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | A22 A26 | A22-C24 PolarHBondContact O-N 3.22Å; C24-A26 PolarHBondContact O-N 2.97Å |
| 25 | P | 65.6 | Low | 61.3 | Low | 124 Ų | 124 | 115 Ų | 115 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 140.3 | 174.3 | -21.3 | 30.7 | 0 | 0 | 0 | 110.9 | | |
| 26 | A | 71.4 | Confident | 60.9 | Low | 91 Ų | 91 | 111.5 Ų | 111.5 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 137.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C24 A28 | C24-A26 PolarHBondContact O-N 2.97Å; A26-A28 PolarHBondContact O-N 3.48Å |
| 27 | P | 61.6 | Low | 61.1 | Low | 128 Ų | 128 | 113.7 Ų | 113.7 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137.3 | 175.9 | -21 | 31 | 0 | 0 | 0 | 111.6 | | |
| 28 | A | 76.6 | Confident | 60.8 | Low | 84 Ų | 84 | 112.6 Ų | 112.6 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 149.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A26 T30 | A26-A28 PolarHBondContact O-N 3.48Å; A28-T30 PolarHBondContact O-N 3.09Å |
| 29 | P | 64.5 | Low | 60.1 | Low | 127 Ų | 127 | 112.7 Ų | 112.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 127.1 | -180 | 23.6 | -32.3 | 0 | 0 | 0 | 111.2 | | |
| 30 | T | 64.7 | Low | 59.6 | Low | 131 Ų | 131 | 109 Ų | 109 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 131.3 | 176.4 | -38.5 | 0 | 0 | 0 | 0 | 109.8 | A28 A32 | A28-T30 PolarHBondContact O-N 3.09Å; T30-A32 PolarHBondContact O-N 3.39Å |
| 31 | P | 62.3 | Low | 58.8 | Low | 117 Ų | 117 | 109.2 Ų | 109.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 135.7 | 172.3 | -24.2 | 32.7 | 0 | 0 | 0 | 111.1 | | |
| 32 | A | 63.4 | Low | 58.5 | Low | 90 Ų | 90 | 106 Ų | 106 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 140.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T30 A34 | T30-A32 PolarHBondContact O-N 3.39Å; A32-A34 PolarHBondContact O-N 3.14Å; A32-A34 VanDerWaalsContact O-N 3.12Å |
| 33 | P | 53.3 | Low | 57.7 | Low | 123 Ų | 123 | 105.4 Ų | 105.4 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 120 | 173.1 | 25.3 | -31.3 | 0 | 0 | 0 | 108.6 | S35 | P33-S35 PolarHBondContact O-N 2.93Š|
| 34 | A | 55.2 | Low | 57 | Low | 97 Ų | 97 | 101.9 Ų | 101.9 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 128.3 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | A32 S36 | A32-A34 PolarHBondContact O-N 3.14Å; A32-A34 VanDerWaalsContact O-N 3.12Å; A34-S36 PolarHBondContact O-N 3.06Å |
| 35 | S | 48 | Very low | 57.1 | Low | 117 Ų | 117 | 102.5 Ų | 102.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -42.6 | 131.7 | -178.2 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | P33 S37 | P33-S35 PolarHBondContact O-N 2.93Å; S35-S37 PolarHBondContact O-N 2.88Å |
| 36 | S | 52.1 | Low | 55.9 | Low | 124 Ų | 124 | 99 Ų | 99 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -36.2 | 98.2 | 173.9 | -49.6 | 0 | 0 | 0 | 0 | 113.6 | A34 | A34-S36 PolarHBondContact O-N 3.06Š|
| 37 | S | 52.7 | Low | 55 | Low | 106 Ų | 106 | 101.4 Ų | 101.4 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | | | trans | -165.6 | 97.3 | 159.4 | -97.1 | 0 | 0 | 0 | 0 | 109.8 | S35 | S35-S37 PolarHBondContact O-N 2.88Š|
| 38 | S | 51.7 | Low | 54.5 | Low | 94 Ų | 94 | 99.4 Ų | 99.4 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | trans | 174.5 | 72 | 137.9 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 39 | C | 46.3 | Very low | 53.2 | Low | 116 Ų | 116 | 98.4 Ų | 98.4 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -97.2 | -9.5 | 132.9 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | C44 | C39-C44 PolarHBondContact O-SG 3.29Š|
| 40 | C | 52.5 | Low | 52.4 | Low | 114 Ų | 114 | 95.5 Ų | 95.5 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -143.9 | 33 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 41 | G | 47.2 | Very low | 52 | Low | 53 Ų | 53 | 93.8 Ų | 93.8 | 55% | 0.546 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -99.5 | -11.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 42 | G | 51.8 | Low | 51.5 | Low | 64 Ų | 64 | 92.6 Ų | 92.6 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 174.8 | 104.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 43 | G | 51.9 | Low | 50.5 | Low | 76 Ų | 76 | 90.6 Ų | 90.6 | 78% | 0.784 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 97.6 | 14.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 44 | C | 51.1 | Low | 50.3 | Low | 52 Ų | 52 | 93.2 Ų | 93.2 | 35% | 0.351 | 72% | 0.717 | S | S | . | * | S | Bend | trans | -93.1 | -18.6 | 165.7 | 16.8 | 0 | 0 | 0 | 0 | 113 | C39 | C39-C44 PolarHBondContact O-SG 3.29Š|
| 45 | C | 54.7 | Low | 50.2 | Low | 124 Ų | 124 | 94.4 Ų | 94.4 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -144.1 | 59.2 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 46 | G | 40.3 | Very low | 50.2 | Low | 52 Ų | 52 | 90.4 Ų | 90.4 | 54% | 0.536 | 70% | 0.697 | S | S | . | * | | | trans | -77.6 | 125.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | G48 | G46-G48 PolarHBondContact O-N 3.49Š|
| 47 | S | 53.1 | Low | 50.4 | Low | 140 Ų | 140 | 90.6 Ų | 90.6 | 98% | 0.979 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.4 | 100.9 | 172.1 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 48 | G | 51.7 | Low | 50.4 | Low | 86 Ų | 86 | 91.8 Ų | 91.8 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154 | -17.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | G46 | G46-G48 PolarHBondContact O-N 3.49Š|
| 49 | G | 49.6 | Very low | 50.1 | Low | 64 Ų | 64 | 90.6 Ų | 90.6 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | | | trans | 176.7 | 107.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 50 | G | 47.2 | Very low | 50.3 | Low | 66 Ų | 66 | 90.3 Ų | 90.3 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | | | trans | -59.3 | 143.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | C52 | G50-C52 PolarHBondContact O-N 2.96Š|
| 51 | C | 55 | Low | 50.2 | Low | 95 Ų | 95 | 89.2 Ų | 89.2 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -71 | 50.2 | 162 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 52 | C | 53.9 | Low | 50.1 | Low | 92 Ų | 92 | 91.2 Ų | 91.2 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | | | trans | -172.2 | 66.6 | 175.1 | -84.9 | 0 | 0 | 0 | 0 | 106 | G50 | G50-C52 PolarHBondContact O-N 2.96Š|
| 53 | G | 42 | Very low | 50.1 | Low | 47 Ų | 47 | 93 Ų | 93 | 49% | 0.485 | 70% | 0.703 | S | S | . | * | | | trans | -61.4 | 159.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | S55 G56 | G53-S55 CarbonylContact O-C 3.42Å; G53-S55 PolarHBondContact O-N 2.88Å; G53-G56 PolarHBondContact O-N 2.94Å |
| 54 | D | 48.1 | Very low | 50.2 | Low | 179 Ų | 179 | 92.5 Ų | 92.5 | 96% | 0.957 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -54.1 | 7.6 | -179.7 | -56.1 | -88.4 | 0 | 0 | 0 | 115.2 | | |
| 55 | S | 52.8 | Low | 50 | Low | 122 Ų | 122 | 95.3 Ų | 95.3 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -146 | 74.6 | 173.1 | -55.7 | 0 | 0 | 0 | 0 | 109.3 | G53 | G53-S55 CarbonylContact O-C 3.42Å; G53-S55 PolarHBondContact O-N 2.88Å |
| 56 | G | 49.3 | Very low | 49.9 | Very low | 33 Ų | 33 | 94.1 Ų | 94.1 | 34% | 0.34 | 70% | 0.699 | S | S | . | * | | | trans | -169.8 | 82.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 118 | G53 | G53-G56 PolarHBondContact O-N 2.94Š|
| 57 | C | 55.7 | Low | 50.3 | Low | 127 Ų | 127 | 96.7 Ų | 96.7 | 86% | 0.858 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 51.5 | 72.8 | 143.5 | -68.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 58 | C | 52.9 | Low | 49.6 | Very low | 131 Ų | 131 | 97.1 Ų | 97.1 | 89% | 0.885 | 69% | 0.692 | S | S | * | * | | | trans | -150.8 | 27 | 139.8 | -140.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 59 | G | 44.5 | Very low | 49.3 | Very low | 70 Ų | 70 | 98.7 Ų | 98.7 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -122.2 | 106.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 60 | S | 50.4 | Low | 49.1 | Very low | 110 Ų | 110 | 105.2 Ų | 105.2 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 0.7 | 117.8 | 161.2 | -52.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 61 | S | 51.8 | Low | 49.2 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | | | trans | 149.8 | 10.4 | 145.5 | -66.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 62 | S | 45.4 | Very low | 48.8 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | | | trans | -105.2 | 118.5 | 164.2 | -46.5 | 0 | 0 | 0 | 0 | 108.3 | S64 | S62-S64 PolarHBondContact O-N 3.45Š|
| 63 | T | 50.3 | Low | 48.6 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 61% | 0.613 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -67.6 | 35 | 176.1 | -31.7 | 0 | 0 | 0 | 0 | 112.8 | C82 | T63-C82 PolarHBondContact OG1-SG 2.73Å; T63-C82 WeakPolarHBondContact CG2-SG 3.13Å; T63-C82 HydrophobicContact CG2-CB 4.35Å; T63-C82 WeakPolarHBondContact CB-SG 3.5Å |
| 64 | S | 54.8 | Low | 48.9 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 46% | 0.462 | 74% | 0.744 | S | S | . | * | | | trans | -170.2 | 66.2 | -162.5 | 59.6 | 0 | 0 | 0 | 0 | 108.9 | S62 C66 | S62-S64 PolarHBondContact O-N 3.45Å; S64-C66 VanDerWaalsContact CB-SG 3.52Å; S64-C66 PolarHBondContact O-N 3.4Å |
| 65 | C | 46.7 | Very low | 48.5 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | trans | -69.1 | 85.2 | 139.8 | -164.9 | 0 | 0 | 0 | 0 | 104.9 | C67 | C65-C67 PolarHBondContact O-N 2.62Š|
| 66 | C | 51.6 | Low | 48.2 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | trans | -66.9 | 16.1 | -178.8 | -84.9 | 0 | 0 | 0 | 0 | 113.1 | S64 F68 | S64-C66 VanDerWaalsContact CB-SG 3.52Å; S64-C66 PolarHBondContact O-N 3.4Å; C66-F68 PolarHBondContact O-N 3.26Å |
| 67 | C | 49.1 | Very low | 48.2 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -78.8 | 80.9 | 167.1 | -61 | 0 | 0 | 0 | 0 | 108.1 | C65 | C65-C67 PolarHBondContact O-N 2.62Š|
| 68 | F | 39 | Very low | 48 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | | | trans | 94 | 80.4 | 174.1 | -80.6 | -111.6 | 0 | 0 | 0 | 119.4 | C66 R70 | C66-F68 PolarHBondContact O-N 3.26Å; F68-R70 HydrophobicContact CD1-CB 3.18Å; F68-R70 VanDerWaalsContact O-N 3.09Å; F68-R70 PolarHBondContact O-N 3.12Å; F68-R70 HydrophobicContact CG-CB 4.01Å; F68-R70 HydrophobicContact CE1-CG 4.34Å; F68-R70 HydrophobicContact CE1-CB 3.65Å; F68-R70 HydrophobicContact CD1-CG 4.25Å; F68-R70 HydrophobicContact CB-CB 4.32Å |
| 69 | P | 45 | Very low | 47.6 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | -75.9 | 39.8 | 143.9 | 32.7 | -33.2 | 0 | 0 | 0 | 111.7 | | |
| 70 | R | 46.7 | Very low | 47.8 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -111.1 | 5.8 | -172.7 | -111.2 | 172.9 | 159.8 | -139 | -3.7 | 114.1 | F68 | F68-R70 HydrophobicContact CD1-CB 3.18Å; F68-R70 VanDerWaalsContact O-N 3.09Å; F68-R70 PolarHBondContact O-N 3.12Å; F68-R70 HydrophobicContact CG-CB 4.01Å; F68-R70 HydrophobicContact CE1-CG 4.34Å; F68-R70 HydrophobicContact CE1-CB 3.65Å; F68-R70 HydrophobicContact CD1-CG 4.25Å; F68-R70 HydrophobicContact CB-CB 4.32Å |
| 71 | R | 47.5 | Very low | 47.5 | Very low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | | | trans | -149.2 | 24.7 | 179.6 | -114.7 | 178.5 | -157.7 | -170.3 | 5.4 | 118 | R73 | R71-R73 VanDerWaalsContact C-N 3.27Å; R71-R73 PolarHBondContact O-N 3.26Å |
| 72 | R | 47.3 | Very low | 47.3 | Very low | 248 Ų | 248 | 140.7 Ų | 140.7 | 94% | 0.936 | 73% | 0.728 | S | S | * | * | | | trans | -95 | 53.9 | 160.7 | -82.4 | -170.9 | -171.2 | 142.9 | 2.2 | 111.7 | | |
| 73 | R | 48.8 | Very low | 47.6 | Very low | 232 Ų | 232 | 141.7 Ų | 141.7 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | | | trans | -76.2 | 123 | 150.3 | -123.3 | -177.1 | 179.3 | 172.4 | 0.2 | 104.8 | R71 | R71-R73 VanDerWaalsContact C-N 3.27Å; R71-R73 PolarHBondContact O-N 3.26Å |
| 74 | R | 48.3 | Very low | 47.6 | Very low | 227 Ų | 227 | 140.1 Ų | 140.1 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 87.3 | 95.7 | -177.3 | -49.7 | 175.5 | -172.2 | -163 | 1.6 | 112.9 | | |
| 75 | Q | 39.7 | Very low | 47.3 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | | | | 178.9 | 130.2 | 105 | -81.9 | -77.8 | -3 | 0 | 0 | 104.2 | | |
| 76 | R | 47.2 | Very low | 47.1 | Very low | 230 Ų | 230 | 138.9 Ų | 138.9 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | | | trans | -51.4 | 152 | 163.5 | -71.5 | 156.8 | 79.9 | -149.1 | 9.1 | 107.8 | | |
| 77 | S | 49.8 | Very low | 47.2 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | 109.1 | 113.3 | 164.4 | -55.7 | 0 | 0 | 0 | 0 | 116 | | |
| 78 | S | 51.6 | Low | 46.9 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | 62.4 | 112.6 | 133 | 65.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 79 | G | 44.4 | Very low | 47.3 | Very low | 40 Ų | 40 | 147.9 Ų | 147.9 | 41% | 0.412 | 78% | 0.78 | S | S | . | * | | | trans | 87.1 | 99.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | C81 | G79-C81 PolarHBondContact O-N 3.41Š|
| 80 | C | 47.4 | Very low | 47.5 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | -67.8 | 73.5 | 150.3 | -56.1 | 0 | 0 | 0 | 0 | 108.3 | C82 | C80-C82 PolarHBondContact O-N 2.83Å; C80-C82 VanDerWaalsContact O-N 3.14Å |
| 81 | C | 45 | Very low | 47.3 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | trans | -84.9 | 85.6 | 178.7 | -65.4 | 0 | 0 | 0 | 0 | 109.5 | G79 C83 | G79-C81 PolarHBondContact O-N 3.41Å; C81-C83 PolarHBondContact O-N 3.12Å |
| 82 | C | 46.9 | Very low | 47.3 | Very low | 76 Ų | 76 | 148 Ų | 148 | 51% | 0.514 | 79% | 0.79 | S | S | . | * | | | trans | -79.6 | 63.2 | 169.2 | -40.5 | 0 | 0 | 0 | 0 | 110 | T63 C80 | T63-C82 PolarHBondContact OG1-SG 2.73Å; T63-C82 WeakPolarHBondContact CG2-SG 3.13Å; T63-C82 HydrophobicContact CG2-CB 4.35Å; T63-C82 WeakPolarHBondContact CB-SG 3.5Å; C80-C82 PolarHBondContact O-N 2.83Å; C80-C82 VanDerWaalsContact O-N 3.14Å |
| 83 | C | 52.8 | Low | 47.2 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | trans | -115.9 | 85.3 | 172.5 | -67.5 | 0 | 0 | 0 | 0 | 108.7 | C81 | C81-C83 PolarHBondContact O-N 3.12Š|
| 84 | G | 49.6 | Very low | 47.2 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | -172.8 | 65.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 85 | G | 47.8 | Very low | 47.4 | Very low | 62 Ų | 62 | 133.5 Ų | 133.5 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | | | trans | -173.4 | 53 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 86 | G | 43.7 | Very low | 47.8 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 92% | 0.918 | 77% | 0.773 | S | S | * | * | | | trans | -95.9 | 81.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 87 | S | 53.8 | Low | 48 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -116.8 | 82 | 161.5 | -166.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 88 | Q | 42.6 | Very low | 48.3 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | trans | -136 | 98.6 | 158.2 | -75.2 | -171.4 | -38 | 0 | 0 | 107.8 | S90 | Q88-S90 PolarHBondContact O-N 2.94Š|
| 89 | R | 47.2 | Very low | 48.3 | Very low | 237 Ų | 237 | 126.5 Ų | 126.5 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | | | trans | -45.6 | 137.1 | 155.8 | -86 | 172.7 | 162.5 | 173.5 | -6 | 107.9 | | |
| 90 | S | 50.1 | Low | 48.9 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | 62.7 | 97.5 | 164.2 | 39.3 | 0 | 0 | 0 | 0 | 116 | Q88 | Q88-S90 PolarHBondContact O-N 2.94Š|
| 91 | Q | 41.3 | Very low | 49.1 | Very low | 201 Ų | 201 | 130.3 Ų | 130.3 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | | | | -143.5 | 133.4 | 110.8 | -71.1 | -139.7 | 6 | 0 | 0 | 110 | | |
| 92 | R | 48.8 | Very low | 49.2 | Very low | 246 Ų | 246 | 132 Ų | 132 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | | | trans | -64.9 | 159.5 | 179.8 | -78.3 | 173.3 | 163.3 | 173.5 | -5.5 | 111.2 | | |
| 93 | S | 44.1 | Very low | 49.4 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | | | trans | 107.2 | 97.2 | 147.8 | -172.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 94 | N | 49.8 | Very low | 48.7 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | | | trans | 48.5 | 104.4 | 138.7 | -82.5 | -24.7 | 0 | 0 | 0 | 120.3 | | |
| 95 | N | 52.7 | Low | 48.7 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | | | | 67.6 | 50.8 | 121.1 | -136 | 13.1 | 0 | 0 | 0 | 118.5 | | |
| 96 | Q | 47.8 | Very low | 48.7 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 81% | 0.808 | 85% | 0.853 | S | S | * | * | | | trans | -132 | 65.4 | 165.4 | -69.3 | 148.9 | 32.4 | 0 | 0 | 109.8 | S98 | Q96-S98 PolarHBondContact O-N 2.85Š|
| 97 | S | 51.4 | Low | 49 | Very low | 132 Ų | 132 | 145 Ų | 145 | 92% | 0.923 | 85% | 0.849 | S | S | * | * | | | trans | -76.7 | 74.6 | 167.3 | -160.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 98 | S | 55.3 | Low | 48.7 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 85% | 0.852 | S | S | * | * | | | trans | -143.2 | 74.6 | 172.2 | 58.9 | 0 | 0 | 0 | 0 | 108.5 | Q96 | Q96-S98 PolarHBondContact O-N 2.85Š|
| 99 | G | 52.6 | Low | 49.1 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 85% | 0.85 | S | S | * | * | | | trans | 176.7 | 42.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 100 | C | 56 | Low | 49.2 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -141.7 | 15 | 165.6 | -74.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 101 | C | 52.6 | Low | 49.2 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 84% | 0.838 | 85% | 0.853 | S | S | * | * | | | trans | -139.9 | 73 | 177.3 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 102 | S | 46.4 | Very low | 49.8 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 94% | 0.937 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -151.3 | 90.2 | 160.3 | -79.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 103 | G | 50.9 | Low | 49.9 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | | | trans | 125.4 | 66.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 104 | C | 38.7 | Very low | 50.4 | Low | 175 Ų | 175 | 127.5 Ų | 127.5 | 100% | 1.182 | 85% | 0.847 | S | S | * | * | | | trans | -160.8 | 0 | 143 | -91.1 | 0 | 0 | 0 | 0 | 108.3 | | |