| 1 | M | 58.5 | Low | 56 | Low | 245 Ų | 245 | 159.1 Ų | 159.1 | 100% | 1.207 | 82% | 0.818 | S | S | * | * | | | | 0 | 124.5 | 0 | -76.6 | 171.7 | 177.8 | 0 | 0 | 108.1 | | |
| 2 | K | 55.7 | Low | 55.9 | Low | 199 Ų | 199 | 156.3 Ų | 156.3 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | -105.3 | 113.7 | -175.8 | -168.6 | 171.5 | -179.9 | 174.2 | 0 | 107.8 | | |
| 3 | V | 64.3 | Low | 55.3 | Low | 106 Ų | 106 | 154 Ų | 154 | 64% | 0.642 | 80% | 0.804 | S | S | * | * | | | trans | -94.1 | 113.7 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 108 | Y5 | V3-Y5 HydrophobicContact CG1-CD2 4.29Å; V3-Y5 HydrophobicContact CG1-CE2 3.85Å |
| 4 | T | 66.5 | Low | 54.5 | Low | 107 Ų | 107 | 153.1 Ų | 153.1 | 66% | 0.656 | 81% | 0.808 | S | S | * | * | | | trans | -102.7 | 116.9 | 174.4 | -52.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 5 | Y | 63.1 | Low | 54.1 | Low | 204 Ų | 204 | 153 Ų | 153 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | -82.8 | 116.2 | 174 | -68.5 | -89.4 | 0 | 0 | 0 | 109.5 | V3 N7 | V3-Y5 HydrophobicContact CG1-CD2 4.29Å; V3-Y5 HydrophobicContact CG1-CE2 3.85Å; Y5-N7 PolarHBondContact O-N 3.22Å |
| 6 | N | 63.8 | Low | 53.8 | Low | 152 Ų | 152 | 151.2 Ų | 151.2 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -86.8 | 107.2 | 170.4 | -76.7 | -17 | 0 | 0 | 0 | 109.5 | A8 | N6-A8 PolarHBondContact O-N 3.18Š|
| 7 | N | 48.4 | Very low | 53.2 | Low | 163 Ų | 163 | 156.6 Ų | 156.6 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -71.5 | 108.9 | 163 | -103.2 | -56.3 | 0 | 0 | 0 | 108.5 | Y5 S9 | Y5-N7 PolarHBondContact O-N 3.22Å; N7-S9 PolarHBondContact O-N 3.03Å |
| 8 | A | 50.7 | Low | 52.9 | Low | 100 Ų | 100 | 154.8 Ų | 154.8 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | | | trans | -83.2 | 107.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | N6 | N6-A8 PolarHBondContact O-N 3.18Š|
| 9 | S | 51.1 | Low | 52.7 | Low | 99 Ų | 99 | 153.5 Ų | 153.5 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -49.6 | 135.8 | 174.6 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | N7 D11 | N7-S9 PolarHBondContact O-N 3.03Å; S9-D11 PolarHBondContact O-N 3.41Å |
| 10 | R | 47.3 | Very low | 52.7 | Low | 239 Ų | 239 | 154.4 Ų | 154.4 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -67 | 106.1 | 162.4 | -74.6 | 175.3 | 174.7 | 168.1 | -1.4 | 107.9 | | |
| 11 | D | 46.7 | Very low | 52.2 | Low | 136 Ų | 136 | 156.8 Ų | 156.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -164.4 | 127 | 154.2 | -84.4 | -43 | 0 | 0 | 0 | 106.9 | S9 | S9-D11 PolarHBondContact O-N 3.41Š|
| 12 | T | 54.7 | Low | 51.8 | Low | 126 Ų | 126 | 155.5 Ų | 155.5 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | 170.9 | 119.4 | 135 | 35.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 13 | N | 48.7 | Very low | 51.2 | Low | 126 Ų | 126 | 149.1 Ų | 149.1 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | | | trans | 80.4 | 82.4 | 134.9 | -62.7 | -35.6 | 0 | 0 | 0 | 119.2 | L15 | N13-L15 VanDerWaalsContact C-N 3.32Å; N13-L15 HydrophobicContact CB-CD1 4.07Å; N13-L15 PolarHBondContact O-N 3.48Å |
| 14 | V | 43.5 | Very low | 50.1 | Low | 142 Ų | 142 | 150.3 Ų | 150.3 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -44.9 | 95.9 | 131.5 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 15 | L | 48.4 | Very low | 49.2 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -95.4 | 102.7 | 173.9 | -135.1 | 86.2 | 0 | 0 | 0 | 110.1 | N13 | N13-L15 VanDerWaalsContact C-N 3.32Å; N13-L15 HydrophobicContact CB-CD1 4.07Å; N13-L15 PolarHBondContact O-N 3.48Å |
| 16 | T | 49.8 | Very low | 48.4 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | -51 | 126.7 | 171.5 | 6 | 0 | 0 | 0 | 0 | 112.1 | T18 | T16-T18 PolarHBondContact O-N 2.77Š|
| 17 | R | 43.7 | Very low | 47.7 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | | | trans | -54.5 | 117.1 | 162.9 | -82.8 | 172.1 | 150.4 | -164.9 | -4.6 | 110.1 | | |
| 18 | T | 47.7 | Very low | 47.6 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | trans | -164.7 | 129.1 | 137 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | T16 | T16-T18 PolarHBondContact O-N 2.77Š|
| 19 | N | 49.5 | Very low | 47.7 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | | | trans | -168.2 | 124 | 136.4 | -113.6 | -80.4 | 0 | 0 | 0 | 113 | | |
| 20 | K | 52.7 | Low | 48 | Very low | 171 Ų | 171 | 155.9 Ų | 155.9 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | 64.5 | 106.3 | 138.1 | -75 | 172.4 | -166.2 | 164.7 | 0 | 120.9 | | |
| 21 | K | 41.1 | Very low | 48.1 | Very low | 206 Ų | 206 | 152.9 Ų | 152.9 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | | | trans | -47.6 | 127.9 | 149.3 | -63.3 | 178.5 | 174.9 | -176.9 | 0 | 111.6 | | |
| 22 | Y | 50.1 | Low | 48.8 | Very low | 218 Ų | 218 | 157.8 Ų | 157.8 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -148.6 | 117.6 | 150 | -88.1 | -79.2 | 0 | 0 | 0 | 109.9 | | |
| 23 | G | 44.3 | Very low | 48.9 | Very low | 65 Ų | 65 | 162 Ų | 162 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | 75.3 | 123.7 | 143 | 0 | 0 | 0 | 0 | 0 | 119.4 | S25 | G23-S25 PolarHBondContact O-N 2.79Š|
| 24 | P | 41.3 | Very low | 49.7 | Very low | 130 Ų | 130 | 165.9 Ų | 165.9 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | | | trans | -76.8 | 90.4 | 168.6 | 32.9 | -28.3 | 0 | 0 | 0 | 108.8 | T26 | P24-T26 PolarHBondContact O-N 3.08Š|
| 25 | S | 47.7 | Very low | 50.1 | Low | 99 Ų | 99 | 165.6 Ų | 165.6 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | -80.2 | 108.8 | 169.9 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | G23 C27 | G23-S25 PolarHBondContact O-N 2.79Å; S25-C27 PolarHBondContact O-N 2.96Å |
| 26 | T | 45.4 | Very low | 50.5 | Low | 134 Ų | 134 | 168.6 Ų | 168.6 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | -76.4 | 65.3 | -179.3 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | P24 R28 | P24-T26 PolarHBondContact O-N 3.08Å; T26-R28 PolarHBondContact O-N 2.81Å; T26-R28 VanDerWaalsContact O-N 3.15Å |
| 27 | C | 48.1 | Very low | 50.5 | Low | 96 Ų | 96 | 167 Ų | 167 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | 97.3 | 167.7 | -69.3 | 0 | 0 | 0 | 0 | 109.6 | S25 V29 | S25-C27 PolarHBondContact O-N 2.96Å; C27-V29 HydrophobicContact CB-CG2 4.39Å; C27-V29 PolarHBondContact O-N 3.02Å |
| 28 | R | 46.4 | Very low | 50.7 | Low | 247 Ų | 247 | 161.3 Ų | 161.3 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -60 | 79.8 | 166.4 | -74.8 | -180 | 177.1 | 166.3 | -1.1 | 110.2 | T26 R30 | T26-R28 PolarHBondContact O-N 2.81Å; T26-R28 VanDerWaalsContact O-N 3.15Å; R28-R30 PolarHBondContact O-N 3.4Å |
| 29 | V | 53.5 | Low | 50.5 | Low | 125 Ų | 125 | 162.3 Ų | 162.3 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | trans | -85.7 | 104.3 | 168.6 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | C27 H31 | C27-V29 HydrophobicContact CB-CG2 4.39Å; C27-V29 PolarHBondContact O-N 3.02Å; V29-H31 PolarHBondContact O-N 2.86Å |
| 30 | R | 56.6 | Low | 50.2 | Low | 242 Ų | 242 | 161.6 Ų | 161.6 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | | | trans | -54 | 102 | 173.6 | -76.3 | -178.5 | 172.5 | 136.9 | -4.4 | 109.2 | R28 R32 | R28-R30 PolarHBondContact O-N 3.4Å; R30-R32 VanDerWaalsContact C-N 3.34Å; R30-R32 PolarHBondContact O-N 2.65Å |
| 31 | H | 49.4 | Very low | 50 | Low | 175 Ų | 175 | 158.5 Ų | 158.5 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | -70.5 | 92.3 | 172.8 | -155.1 | 8.2 | 0 | 0 | 0 | 107.6 | V29 R33 | V29-H31 PolarHBondContact O-N 2.86Å; H31-R33 VanDerWaalsContact C-N 3.29Å; H31-R33 PolarHBondContact O-N 2.85Å |
| 32 | R | 63.1 | Low | 50.4 | Low | 239 Ų | 239 | 160 Ų | 160 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -61.9 | 95.3 | 168 | -102.8 | -175.1 | 163.5 | 176.3 | -4.3 | 107.4 | R30 R34 | R30-R32 VanDerWaalsContact C-N 3.34Å; R30-R32 PolarHBondContact O-N 2.65Å; R32-R34 PolarHBondContact O-N 3.35Å; R32-R34 VanDerWaalsContact O-N 3.13Å |
| 33 | R | 56 | Low | 50.4 | Low | 214 Ų | 214 | 158 Ų | 158 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | -57.8 | 111.1 | 167.8 | -76.1 | 179.5 | 135.5 | -139.2 | -1.6 | 107.8 | H31 N35 | H31-R33 VanDerWaalsContact C-N 3.29Å; H31-R33 PolarHBondContact O-N 2.85Å; R33-N35 PolarHBondContact O-N 3.22Å |
| 34 | R | 66.1 | Low | 50.4 | Low | 208 Ų | 208 | 160.1 Ų | 160.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -82.2 | 98.6 | 171.5 | -161.8 | -179.3 | -68.8 | 163.9 | -2.4 | 106.7 | R32 W36 | R32-R34 PolarHBondContact O-N 3.35Å; R32-R34 VanDerWaalsContact O-N 3.13Å; R34-W36 PolarHBondContact O-N 3.49Å |
| 35 | N | 52.2 | Low | 50.6 | Low | 137 Ų | 137 | 160.2 Ų | 160.2 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -67 | 108.3 | 172 | -69.5 | -31 | 0 | 0 | 0 | 108.4 | R33 S37 | R33-N35 PolarHBondContact O-N 3.22Å; N35-S37 PolarHBondContact O-N 2.86Å |
| 36 | W | 55.7 | Low | 50.3 | Low | 214 Ų | 214 | 161.1 Ų | 161.1 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -81.9 | 97.9 | 160.5 | -69.7 | 96.6 | 0 | 0 | 0 | 106.8 | R34 S38 | R34-W36 PolarHBondContact O-N 3.49Å; W36-S38 PolarHBondContact O-N 2.9Å |
| 37 | S | 49.5 | Very low | 51 | Low | 91 Ų | 91 | 163.3 Ų | 163.3 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | | | trans | -78 | 102.9 | 170.9 | -168.1 | 0 | 0 | 0 | 0 | 107.6 | N35 H39 | N35-S37 PolarHBondContact O-N 2.86Å; S37-H39 PolarHBondContact O-N 3.44Å; S37-H39 PolarHBondContact OG-CD2 3.42Å; S37-H39 VanDerWaalsContact OG-CD2 3.23Å |
| 38 | S | 47.7 | Very low | 50.9 | Low | 122 Ų | 122 | 167.6 Ų | 167.6 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -79.6 | 72.6 | 172.1 | -59 | 0 | 0 | 0 | 0 | 109.2 | W36 | W36-S38 PolarHBondContact O-N 2.9Š|
| 39 | H | 45 | Very low | 51.3 | Low | 147 Ų | 147 | 165.1 Ų | 165.1 | 68% | 0.681 | 81% | 0.813 | S | S | * | * | | | trans | -83 | 120.6 | 169 | -97.9 | -67.3 | 0 | 0 | 0 | 110.1 | S37 | S37-H39 PolarHBondContact O-N 3.44Å; S37-H39 PolarHBondContact OG-CD2 3.42Å; S37-H39 VanDerWaalsContact OG-CD2 3.23Å |
| 40 | T | 41.8 | Very low | 50.7 | Low | 113 Ų | 113 | 164.3 Ų | 164.3 | 69% | 0.693 | 81% | 0.812 | S | S | * | * | | | trans | 61.1 | 110.6 | 145.4 | 70.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 41 | S | 49.5 | Very low | 50.7 | Low | 106 Ų | 106 | 158.2 Ų | 158.2 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | | -166.6 | 121.4 | 79 | -67.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 42 | R | 48.4 | Very low | 50.6 | Low | 237 Ų | 237 | 159.1 Ų | 159.1 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | | | trans | 38.7 | 106.4 | 132.4 | -62.2 | 177.1 | 144.9 | -167.4 | -8.7 | 116.2 | | |
| 43 | L | 50.3 | Low | 50.1 | Low | 177 Ų | 177 | 154 Ų | 154 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | | | | 174.7 | 95 | 126.3 | -85.1 | -179.4 | 0 | 0 | 0 | 108.1 | | |
| 44 | S | 45.2 | Very low | 49.5 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -92.7 | 165.1 | 163.8 | -41.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 45 | P | 45.7 | Very low | 48.1 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | | -132.3 | 139.8 | 51 | 14.8 | 10.6 | 0 | 0 | 0 | 116.4 | | |
| 46 | C | 41.3 | Very low | 47.9 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -67.2 | 145.7 | 158.3 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 47 | I | 59.3 | Low | 47.4 | Very low | 180 Ų | 180 | 142 Ų | 142 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | | | trans | -108.8 | 111.1 | 158.3 | -124 | 157.6 | 0 | 0 | 0 | 107 | | |
| 48 | E | 46.8 | Very low | 47.5 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | -129.4 | 106.7 | 169.9 | -171.6 | 176.1 | -154.2 | 0 | 0 | 103.9 | | |
| 49 | E | 53.4 | Low | 47.3 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | | | trans | -138.5 | 122.9 | 160.9 | -141.2 | 178.7 | 167.5 | 0 | 0 | 109.5 | | |
| 50 | S | 41.8 | Very low | 47.2 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -100.6 | 129 | -173 | 133 | 0 | 0 | 0 | 0 | 107.7 | | |
| 51 | S | 55.5 | Low | 47.5 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -158.7 | 107.3 | 149.1 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 52 | K | 48.6 | Very low | 47.3 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | | | trans | -4.7 | 133.5 | 143.3 | -80.6 | 168.3 | 162.1 | -172.4 | 0 | 117.1 | | |
| 53 | V | 52.5 | Low | 46.9 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | | | trans | 144.2 | 139.8 | 138.5 | -78.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 54 | D | 42.4 | Very low | 46.2 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | cis | -160.1 | 148.3 | -11.9 | -106.3 | -38.1 | 0 | 0 | 0 | 105.2 | | |
| 55 | C | 37.8 | Very low | 46.4 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | | | trans | -81.7 | 130.9 | -179.1 | 43.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 56 | M | 48.2 | Very low | 46.3 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | | | trans | -154.3 | 105.3 | 153.4 | -66.1 | -59.4 | -120.4 | 0 | 0 | 107 | | |
| 57 | A | 43.9 | Very low | 46.6 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | | 48.5 | 120 | 88.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 58 | T | 52.3 | Low | 45.9 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | | -167.9 | 147.6 | 60.6 | 45 | 0 | 0 | 0 | 0 | 113.5 | | |
| 59 | S | 43.1 | Very low | 45.6 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | trans | 44.3 | 113.1 | 141.9 | 60.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 60 | S | 42.4 | Very low | 45 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | | 79.6 | 116.4 | 90.1 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 61 | L | 48.5 | Very low | 45.2 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | | 172.7 | 113.2 | 126.5 | -90.1 | 160 | 0 | 0 | 0 | 111.3 | | |
| 62 | N | 45.4 | Very low | 44.9 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | 41.3 | 129.8 | 135.9 | -64.3 | -6.3 | 0 | 0 | 0 | 121.6 | | |
| 63 | G | 40 | Very low | 45.3 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | 140.8 | 91.8 | 140 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 64 | S | 36.2 | Very low | 44.6 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -53.2 | 148 | 162.2 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 65 | P | 50 | Low | 44.8 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | trans | -133.7 | 124.3 | 140.8 | 32.9 | -18.1 | 0 | 0 | 0 | 112.6 | R67 | P65-R67 PolarHBondContact O-N 3.34Š|
| 66 | E | 41.9 | Very low | 45 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -50.2 | 127.8 | 156 | -60.6 | 178.3 | 125.5 | 0 | 0 | 109.5 | | |
| 67 | R | 48.1 | Very low | 44.4 | Very low | 243 Ų | 243 | 132.2 Ų | 132.2 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | | | trans | -113.3 | 93.4 | 169.9 | -68.4 | -157.9 | 118 | 160.3 | 4.2 | 109.8 | P65 | P65-R67 PolarHBondContact O-N 3.34Š|
| 68 | L | 45.3 | Very low | 44.4 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -94.8 | 132.4 | 157.4 | -74.6 | 170.1 | 0 | 0 | 0 | 108.6 | | |
| 69 | S | 40.5 | Very low | 43.8 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | 65.6 | 137.7 | 156.9 | -127.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 70 | S | 40.6 | Very low | 43.9 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | | | cis | -172.6 | 157.8 | 17.5 | 35 | 0 | 0 | 0 | 0 | 107.1 | | |
| 71 | N | 45.5 | Very low | 43.5 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 87.5 | 122.8 | 161.9 | -49.5 | -48.4 | 0 | 0 | 0 | 118.9 | | |
| 72 | P | 50.5 | Low | 43.3 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 141.7 | 159.7 | 34.7 | -28 | 0 | 0 | 0 | 110.8 | | |
| 73 | P | 55.4 | Low | 43.2 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 135.3 | 169.9 | 32.2 | -28.7 | 0 | 0 | 0 | 110.9 | | |
| 74 | S | 39 | Very low | 43.5 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 154.3 | 173.1 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 75 | L | 45.5 | Very low | 43.7 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | 71.1 | 120.6 | 159.2 | -61.4 | 157 | 0 | 0 | 0 | 116.2 | | |
| 76 | E | 42 | Very low | 43.3 | Very low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | | 173.5 | 139.9 | 95.6 | -84.4 | -166.5 | 112.9 | 0 | 0 | 111 | | |
| 77 | S | 36 | Very low | 43.5 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -59.3 | 142.3 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 78 | S | 45.2 | Very low | 43.2 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | | | trans | -159.9 | 101.8 | 145.9 | -83.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 79 | S | 39.4 | Very low | 43.2 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -65 | 130.9 | 162.9 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 80 | S | 43.9 | Very low | 43.6 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -153.6 | 122.3 | 142.9 | 58.3 | 0 | 0 | 0 | 0 | 111 | | |
| 81 | C | 35.6 | Very low | 44.1 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | | | trans | -59 | 145.5 | 174.2 | 46.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 82 | S | 43 | Very low | 44.6 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -148.5 | 96.5 | 144.6 | -79.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 83 | L | 43.5 | Very low | 44.5 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -67.5 | 122.4 | 165.5 | -81.7 | 131.7 | 0 | 0 | 0 | 109.6 | | |
| 84 | A | 46.2 | Very low | 44.5 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -129.2 | 94.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 85 | S | 40.5 | Very low | 45.4 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | | 72 | 126.2 | 81.5 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 86 | C | 42.4 | Very low | 46.3 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 66% | 0.655 | 81% | 0.805 | S | S | * | * | | | cis | -171.8 | 132.3 | -16.1 | -104 | 0 | 0 | 0 | 0 | 103 | | |
| 87 | Y | 44.6 | Very low | 47.6 | Very low | 230 Ų | 230 | 127.8 Ų | 127.8 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | 23.4 | 122.6 | 150.3 | -48.2 | -83.4 | 0 | 0 | 0 | 120.1 | | |
| 88 | G | 42.3 | Very low | 49.7 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -167.9 | 58.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 89 | V | 46.3 | Very low | 51.3 | Low | 140 Ų | 140 | 129.1 Ų | 129.1 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -90.4 | 121.9 | 168.2 | 175 | 0 | 0 | 0 | 0 | 108.5 | | |
| 90 | S | 47.7 | Very low | 53.2 | Low | 122 Ų | 122 | 129.7 Ų | 129.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -147.4 | 101.3 | 156.1 | -72 | 0 | 0 | 0 | 0 | 107.7 | | |
| 91 | A | 51 | Low | 54.9 | Low | 86 Ų | 86 | 127 Ų | 127 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | -75.1 | 153.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 92 | P | 57.7 | Low | 56.9 | Low | 101 Ų | 101 | 127.7 Ų | 127.7 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | trans | -113.6 | 115.6 | 144.2 | 31.7 | -20.2 | 0 | 0 | 0 | 109.1 | I94 | P92-I94 PolarHBondContact O-N 3.36Å; P92-I94 VanDerWaalsContact O-N 3.08Å |
| 93 | F | 48.3 | Very low | 58.5 | Low | 199 Ų | 199 | 127.5 Ų | 127.5 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | | | trans | 23 | 75.3 | 151 | -55.1 | -84.4 | 0 | 0 | 0 | 116.9 | H95 | F93-H95 PolarHBondContact O-N 3.4Š|
| 94 | I | 53.5 | Low | 60 | Low | 159 Ų | 159 | 126 Ų | 126 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | trans | -90.6 | 93.5 | 164.4 | -52.8 | -173.4 | 0 | 0 | 0 | 106.5 | P92 | P92-I94 PolarHBondContact O-N 3.36Å; P92-I94 VanDerWaalsContact O-N 3.08Å |
| 95 | H | 59.8 | Low | 61 | Low | 159 Ų | 159 | 126.1 Ų | 126.1 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | -47.6 | 131.9 | 165.5 | -83.6 | -92.2 | 0 | 0 | 0 | 108.6 | F93 S97 | F93-H95 PolarHBondContact O-N 3.4Å; H95-S97 VanDerWaalsContact C-N 3.31Å; H95-S97 PolarHBondContact O-N 2.86Å |
| 96 | P | 63.4 | Low | 62.5 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | -65.3 | 97.4 | 172.5 | 25.9 | -30.6 | 0 | 0 | 0 | 107.6 | M98 | P96-M98 PolarHBondContact O-N 2.82Å; P96-M98 VanDerWaalsContact O-N 3.16Å |
| 97 | S | 69.2 | Low | 64.1 | Low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -67.9 | 112 | 171.3 | 55 | 0 | 0 | 0 | 0 | 107.2 | H95 | H95-S97 VanDerWaalsContact C-N 3.31Å; H95-S97 PolarHBondContact O-N 2.86Å |
| 98 | M | 79.6 | Confident | 65.4 | Low | 168 Ų | 168 | 122.9 Ų | 122.9 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 138.9 | 168 | -70.1 | -145 | 73.4 | 0 | 0 | 108.4 | P96 | P96-M98 PolarHBondContact O-N 2.82Å; P96-M98 VanDerWaalsContact O-N 3.16Å |
| 99 | P | 78.8 | Confident | 67.2 | Low | 102 Ų | 102 | 124.3 Ų | 124.3 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 146.6 | 175.1 | 25.5 | -33.1 | 0 | 0 | 0 | 109.4 | G101 | P99-G101 PolarHBondContact O-N 3.24Š|
| 100 | P | 79.9 | Confident | 68.7 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 130.5 | 172.6 | -21.5 | 30.8 | 0 | 0 | 0 | 109.8 | | |
| 101 | G | 78.9 | Confident | 70.1 | Confident | 60 Ų | 60 | 122.7 Ų | 122.7 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 159.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P99 | P99-G101 PolarHBondContact O-N 3.24Š|
| 102 | P | 79.4 | Confident | 71.4 | Confident | 118 Ų | 118 | 124.5 Ų | 124.5 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59 | 146.8 | 177.7 | 26.3 | -34.1 | 0 | 0 | 0 | 110.4 | T104 | P102-T104 PolarHBondContact O-N 3.37Å; P102-T104 VanDerWaalsContact O-N 3.14Å |
| 103 | P | 76.7 | Confident | 71.8 | Confident | 123 Ų | 123 | 125.6 Ų | 125.6 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 122.2 | 175.2 | 24.6 | -32.4 | 0 | 0 | 0 | 109.2 | S105 | P103-S105 VanDerWaalsContact C-N 3.33Å; P103-S105 PolarHBondContact O-N 2.94Å |
| 104 | T | 73.8 | Confident | 72.7 | Confident | 143 Ų | 143 | 122 Ų | 122 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | | | trans | -67 | 95.1 | 167.9 | 51.5 | 0 | 0 | 0 | 0 | 107.4 | P102 | P102-T104 PolarHBondContact O-N 3.37Å; P102-T104 VanDerWaalsContact O-N 3.14Å |
| 105 | S | 66.9 | Low | 73.1 | Confident | 95 Ų | 95 | 120.5 Ų | 120.5 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 142.6 | 170.9 | 66.6 | 0 | 0 | 0 | 0 | 109.4 | P103 V107 | P103-S105 VanDerWaalsContact C-N 3.33Å; P103-S105 PolarHBondContact O-N 2.94Å; S105-V107 PolarHBondContact O-N 3.14Å |
| 106 | P | 72.7 | Confident | 72.4 | Confident | 119 Ų | 119 | 119.6 Ų | 119.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 123.1 | 176.1 | 23.3 | -30.3 | 0 | 0 | 0 | 109.3 | P108 | P106-P108 VanDerWaalsContact O-CD 3.32Å; P106-P108 WeakPolarHBondContact O-CD 3.42Å |
| 107 | V | 75.1 | Confident | 71.8 | Confident | 129 Ų | 129 | 121.5 Ų | 121.5 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 119.7 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | S105 S109 | S105-V107 PolarHBondContact O-N 3.14Å; V107-S109 PolarHBondContact O-N 3.39Å |
| 108 | P | 73.4 | Confident | 70.3 | Confident | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 129.2 | 174.1 | -17.2 | 30.4 | 0 | 0 | 0 | 110.1 | P106 | P106-P108 VanDerWaalsContact O-CD 3.32Å; P106-P108 WeakPolarHBondContact O-CD 3.42Å |
| 109 | S | 78.6 | Confident | 68.6 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 144.6 | 174 | -50 | 0 | 0 | 0 | 0 | 111 | V107 | V107-S109 PolarHBondContact O-N 3.39Š|
| 110 | P | 79.1 | Confident | 67 | Low | 115 Ų | 115 | 119.1 Ų | 119.1 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 148 | 175.2 | 26.9 | -33.6 | 0 | 0 | 0 | 111.2 | | |
| 111 | P | 77.3 | Confident | 65.6 | Low | 114 Ų | 114 | 118.9 Ų | 118.9 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.8 | 177.9 | 27.1 | -33.6 | 0 | 0 | 0 | 111.7 | T113 | P111-T113 PolarHBondContact O-N 3.15Š|
| 112 | P | 76.8 | Confident | 64.1 | Low | 124 Ų | 124 | 124.9 Ų | 124.9 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134.1 | 176.6 | 25 | -32 | 0 | 0 | 0 | 110.9 | | |
| 113 | T | 67.7 | Low | 62.4 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 128.3 | 174 | 41.2 | 0 | 0 | 0 | 0 | 110.6 | P111 V115 | P111-T113 PolarHBondContact O-N 3.15Å; T113-V115 PolarHBondContact O-N 2.83Å |
| 114 | P | 67.5 | Low | 60.8 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 117.8 | 174.8 | 24.8 | -30.2 | 0 | 0 | 0 | 110 | | |
| 115 | V | 60.9 | Low | 59.9 | Low | 126 Ų | 126 | 123.7 Ų | 123.7 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.5 | 169.4 | -74.5 | 0 | 0 | 0 | 0 | 109.7 | T113 L117 | T113-V115 PolarHBondContact O-N 2.83Å; V115-L117 PolarHBondContact O-N 3.4Å |
| 116 | T | 45.1 | Very low | 58.8 | Low | 140 Ų | 140 | 126.7 Ų | 126.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | -61.6 | 111.4 | 175.5 | -47.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 117 | L | 51 | Low | 57.6 | Low | 163 Ų | 163 | 126 Ų | 126 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -113.4 | 119.9 | 163.2 | -75.2 | 173.6 | 0 | 0 | 0 | 108.9 | V115 | V115-L117 PolarHBondContact O-N 3.4Š|
| 118 | S | 37 | Very low | 56 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -78.6 | 173.8 | 178 | -159.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 119 | A | 45 | Very low | 54.7 | Low | 88 Ų | 88 | 125.8 Ų | 125.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | 85 | 128.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 120 | V | 45.1 | Very low | 53.1 | Low | 124 Ų | 124 | 127.4 Ų | 127.4 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | cis | -163.9 | 136.1 | 47.1 | 164.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 121 | V | 50.4 | Low | 51.1 | Low | 124 Ų | 124 | 127.7 Ų | 127.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | 32 | 125.9 | 136.5 | -173.8 | 0 | 0 | 0 | 0 | 117 | | |
| 122 | E | 45.9 | Very low | 49.7 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | | -169.5 | 162.3 | 69.6 | -152.2 | 164.5 | 178.1 | 0 | 0 | 113.1 | | |
| 123 | A | 44 | Very low | 48.2 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | -48.2 | 167.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 124 | P | 43.9 | Very low | 47.3 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | trans | -98.7 | 143.6 | -165.2 | 37.3 | -28.3 | 0 | 0 | 0 | 113.8 | | |
| 125 | T | 54 | Low | 46.4 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -128.8 | 131.2 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 126 | N | 45.3 | Very low | 46.4 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -86.6 | -176.8 | -160.7 | -127.9 | -16.9 | 0 | 0 | 0 | 112.6 | | |
| 127 | P | 47.2 | Very low | 47.1 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | | | | -115.4 | 146.8 | -123.5 | 37.2 | -21 | 0 | 0 | 0 | 114.2 | | |
| 128 | V | 41.8 | Very low | 47.9 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -147.5 | 116.2 | 172.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 129 | S | 44.5 | Very low | 49.5 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | 85.1 | 138.6 | 143.7 | -63.1 | 0 | 0 | 0 | 0 | 122.9 | | |
| 130 | E | 45.6 | Very low | 50.9 | Low | 142 Ų | 142 | 133.6 Ų | 133.6 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | trans | 84.7 | 80.4 | 155.7 | -70.8 | -174.9 | -166.1 | 0 | 0 | 119.7 | R132 | E130-R132 PolarHBondContact O-N 3.38Å; E130-R132 IonicContact OE2-NE 3.41Å; E130-R132 IonicContact OE2-NH2 2.87Å; E130-R132 PolarHBondContact OE2-NH2 2.93Å |
| 131 | S | 36.1 | Very low | 52.6 | Low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | | | | 2.1 | 89 | 113.1 | 163.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 132 | R | 49 | Very low | 54 | Low | 201 Ų | 201 | 126.9 Ų | 126.9 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | | | trans | -133.1 | 105 | 150.1 | -67.1 | -168.2 | -168.8 | -162.8 | 3.5 | 108 | E130 L134 | E130-R132 PolarHBondContact O-N 3.38Å; E130-R132 IonicContact OE2-NE 3.41Å; E130-R132 IonicContact OE2-NH2 2.87Å; E130-R132 PolarHBondContact OE2-NH2 2.93Å; R132-L134 PolarHBondContact O-N 3.48Å; R132-L134 VanDerWaalsContact O-N 3.08Å |
| 133 | Q | 46.1 | Very low | 55.7 | Low | 179 Ų | 179 | 121.5 Ų | 121.5 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | | | trans | -9.4 | 104.3 | 153.1 | -169.4 | 172.4 | 12.8 | 0 | 0 | 111.4 | D135 | Q133-D135 PolarHBondContact O-N 2.82Š|
| 134 | L | 47.9 | Very low | 57.7 | Low | 165 Ų | 165 | 120.7 Ų | 120.7 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | | | trans | -56.4 | 94.6 | 168.5 | -107 | 130.7 | 0 | 0 | 0 | 106.7 | R132 S136 | R132-L134 PolarHBondContact O-N 3.48Å; R132-L134 VanDerWaalsContact O-N 3.08Å; L134-S136 PolarHBondContact O-N 3.36Å |
| 135 | D | 49 | Very low | 59.6 | Low | 142 Ų | 142 | 123.5 Ų | 123.5 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | | | trans | -53.7 | 96.3 | 158.2 | -93.1 | -36 | 0 | 0 | 0 | 105.6 | Q133 I137 | Q133-D135 PolarHBondContact O-N 2.82Å; D135-I137 PolarHBondContact O-N 3.11Å |
| 136 | S | 59.7 | Low | 60.9 | Low | 103 Ų | 103 | 119.8 Ų | 119.8 | 72% | 0.72 | 65% | 0.651 | S | S | * | * | | | trans | -53 | 103.2 | 178.1 | 164.7 | 0 | 0 | 0 | 0 | 107 | L134 P138 | L134-S136 PolarHBondContact O-N 3.36Å; S136-P138 WeakPolarHBondContact O-CD 3.32Å |
| 137 | I | 59.9 | Low | 62.7 | Low | 149 Ų | 149 | 119.4 Ų | 119.4 | 76% | 0.764 | 64% | 0.637 | S | S | * | * | | | trans | -43.5 | 114.8 | 174.2 | -62.9 | 172 | 0 | 0 | 0 | 106.1 | D135 N139 | D135-I137 PolarHBondContact O-N 3.11Å; I137-N139 PolarHBondContact O-N 3.41Å |
| 138 | P | 68.3 | Low | 64.3 | Low | 89 Ų | 89 | 119.9 Ų | 119.9 | 58% | 0.578 | 63% | 0.629 | S | S | * | * | | | trans | -59.3 | 119.8 | -176.3 | 21.1 | -30.3 | 0 | 0 | 0 | 106 | S136 L140 V143 | S136-P138 WeakPolarHBondContact O-CD 3.32Å; P138-L140 PolarHBondContact O-N 3.31Å; P138-V143 HydrophobicContact CB-CG2 4.14Å |
| 139 | N | 71.6 | Confident | 66.2 | Low | 101 Ų | 101 | 120 Ų | 120 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | | | trans | -60.2 | 91.5 | 179.8 | -173.4 | -67.3 | 0 | 0 | 0 | 107.1 | I137 P141 A142 V143 | I137-N139 PolarHBondContact O-N 3.41Å; N139-P141 WeakPolarHBondContact OD1-CD 3.42Å; N139-A142 HydrophobicContact CB-CB 3.91Å; N139-A142 CarbonylContact O-C 3.56Å; N139-A142 WeakPolarHBondContact O-CA 3.4Å; N139-A142 WeakPolarHBondContact O-CB 3.4Å; N139-A142 PolarHBondContact O-N 3.47Å; N139-A142 VanDerWaalsContact OD1-CB 3.32Å; N139-A142 WeakPolarHBondContact OD1-CB 3.32Å; N139-A142 PolarHBondContact OD1-N 3.26Å; N139-V143 PolarHBondContact O-N 2.96Å |
| 140 | L | 73.2 | Confident | 68 | Low | 114 Ų | 114 | 124 Ų | 124 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -55.7 | -39 | -169.7 | -167.9 | 74.5 | 0 | 0 | 0 | 110.9 | P138 V143 L144 | P138-L140 PolarHBondContact O-N 3.31Å; L140-V143 PolarHBondContact O-N 2.92Å; L140-L144 HydrophobicContact CG-CD1 4.23Å; L140-L144 WeakPolarHBondContact O-CB 3.29Å; L140-L144 VanDerWaalsContact O-CG 3.24Å; L140-L144 WeakPolarHBondContact O-CG 3.24Å; L140-L144 PolarHBondContact O-N 3.01Å |
| 141 | P | 81.4 | Confident | 69.5 | Low | 70 Ų | 70 | 123.8 Ų | 123.8 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.1 | -45.5 | 170.7 | -23.6 | 34 | 0 | 0 | 0 | 113.2 | N139 R145 | N139-P141 WeakPolarHBondContact OD1-CD 3.42Å; P141-R145 VanDerWaalsContact O-CB 3.29Å; P141-R145 WeakPolarHBondContact O-CB 3.27Å; P141-R145 VanDerWaalsContact O-CG 3.24Å; P141-R145 WeakPolarHBondContact O-CG 3.46Å; P141-R145 PolarHBondContact O-N 3Å |
| 142 | A | 80 | Confident | 71.3 | Confident | 37 Ų | 37 | 126.1 Ų | 126.1 | 31% | 0.306 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.1 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N139 R145 N146 | N139-A142 HydrophobicContact CB-CB 3.91Å; N139-A142 CarbonylContact O-C 3.56Å; N139-A142 WeakPolarHBondContact O-CA 3.4Å; N139-A142 WeakPolarHBondContact O-CB 3.4Å; N139-A142 PolarHBondContact O-N 3.47Å; N139-A142 VanDerWaalsContact OD1-CB 3.32Å; N139-A142 WeakPolarHBondContact OD1-CB 3.32Å; N139-A142 PolarHBondContact OD1-N 3.26Å; A142-R145 PolarHBondContact O-N 3.02Å; A142-N146 VanDerWaalsContact O-CB 3.27Å; A142-N146 WeakPolarHBondContact O-CB 3.34Å; A142-N146 PolarHBondContact O-N 2.78Å; A142-N146 PolarHBondContact O-ND2 3.1Å |
| 143 | V | 82 | Confident | 72.2 | Confident | 73 Ų | 73 | 120.9 Ų | 120.9 | 44% | 0.442 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -44.9 | 176.3 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | P138 N139 L140 N146 R147 | P138-V143 HydrophobicContact CB-CG2 4.14Å; N139-V143 PolarHBondContact O-N 2.96Å; L140-V143 PolarHBondContact O-N 2.92Å; V143-N146 PolarHBondContact O-N 3.13Å; V143-R147 WeakPolarHBondContact O-CB 3.24Å; V143-R147 PolarHBondContact O-N 3.42Å |
| 144 | L | 84.3 | Confident | 73 | Confident | 74 Ų | 74 | 115 Ų | 115 | 39% | 0.387 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -47 | 175.6 | -70.9 | 174.6 | 0 | 0 | 0 | 111.2 | L140 N146 R147 F148 | L140-L144 HydrophobicContact CG-CD1 4.23Å; L140-L144 WeakPolarHBondContact O-CB 3.29Å; L140-L144 VanDerWaalsContact O-CG 3.24Å; L140-L144 WeakPolarHBondContact O-CG 3.24Å; L140-L144 PolarHBondContact O-N 3.01Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 2.94Å; L144-R147 WeakPolarHBondContact O-CB 3.34Å; L144-R147 PolarHBondContact O-N 3.37Å; L144-R147 VanDerWaalsContact O-N 3.11Å; L144-F148 HydrophobicContact CB-CD2 4.42Å; L144-F148 HydrophobicContact CB-CE2 4.38Å; L144-F148 WeakPolarHBondContact O-CD2 3.46Å; L144-F148 PolarHBondContact O-N 3.46Å |
| 145 | R | 84.5 | Confident | 73.6 | Confident | 181 Ų | 181 | 111.7 Ų | 111.7 | 68% | 0.683 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57 | -45.3 | 174.8 | -78.5 | 176.5 | 180 | 138.2 | -1.3 | 111.7 | P141 A142 R147 F148 R149 | P141-R145 VanDerWaalsContact O-CB 3.29Å; P141-R145 WeakPolarHBondContact O-CB 3.27Å; P141-R145 VanDerWaalsContact O-CG 3.24Å; P141-R145 WeakPolarHBondContact O-CG 3.46Å; P141-R145 PolarHBondContact O-N 3Å; A142-R145 PolarHBondContact O-N 3.02Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 2.94Å; R145-F148 PolarHBondContact O-N 2.88Å; R145-R149 WeakPolarHBondContact O-CB 3.36Å; R145-R149 PolarHBondContact O-N 3.44Å |
| 146 | N | 81.8 | Confident | 74.1 | Confident | 69 Ų | 69 | 108.4 Ų | 108.4 | 37% | 0.369 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.4 | -84.1 | -31.6 | 0 | 0 | 0 | 111.9 | A142 V143 L144 R149 R150 | A142-N146 VanDerWaalsContact O-CB 3.27Å; A142-N146 WeakPolarHBondContact O-CB 3.34Å; A142-N146 PolarHBondContact O-N 2.78Å; A142-N146 PolarHBondContact O-ND2 3.1Å; V143-N146 PolarHBondContact O-N 3.13Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 2.94Å; N146-R149 PolarHBondContact O-N 3.49Å; N146-R149 PolarHBondContact OD1-NH2 3.26Å; N146-R150 WeakPolarHBondContact O-CG 3.09Å; N146-R150 PolarHBondContact O-N 3.28Å |
| 147 | R | 82.4 | Confident | 74 | Confident | 150 Ų | 150 | 108 Ų | 108 | 57% | 0.566 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 176.8 | -161.1 | -176.7 | -152.1 | -174.6 | 7.6 | 111.8 | V143 L144 R145 R150 R151 | V143-R147 WeakPolarHBondContact O-CB 3.24Å; V143-R147 PolarHBondContact O-N 3.42Å; L144-R147 WeakPolarHBondContact O-CB 3.34Å; L144-R147 PolarHBondContact O-N 3.37Å; L144-R147 VanDerWaalsContact O-N 3.11Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 2.94Å; R147-R150 PolarHBondContact O-N 3.22Å; R147-R151 WeakPolarHBondContact O-CB 3.45Å; R147-R151 WeakPolarHBondContact O-CG 3.36Å; R147-R151 PolarHBondContact O-N 3.29Å |
| 148 | F | 80.8 | Confident | 74.3 | Confident | 115 Ų | 115 | 106 Ų | 106 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 175.5 | -77.5 | -65.1 | 0 | 0 | 0 | 112.1 | L144 R145 R151 R152 | L144-F148 HydrophobicContact CB-CD2 4.42Å; L144-F148 HydrophobicContact CB-CE2 4.38Å; L144-F148 WeakPolarHBondContact O-CD2 3.46Å; L144-F148 PolarHBondContact O-N 3.46Å; R145-F148 PolarHBondContact O-N 2.88Å; F148-R151 PolarHBondContact O-N 3.45Å; F148-R152 WeakPolarHBondContact O-CG 3.35Å; F148-R152 PolarHBondContact O-N 3.19Å |
| 149 | R | 82.2 | Confident | 74.4 | Confident | 137 Ų | 137 | 104 Ų | 104 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 173.8 | -170.2 | 179.1 | 69 | -177 | 1.1 | 111.1 | R145 N146 R151 R152 N153 | R145-R149 WeakPolarHBondContact O-CB 3.36Å; R145-R149 PolarHBondContact O-N 3.44Å; N146-R149 PolarHBondContact O-N 3.49Å; N146-R149 PolarHBondContact OD1-NH2 3.26Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.03Å; R149-R152 PolarHBondContact O-N 3.36Å; R149-N153 PolarHBondContact O-N 3.28Å; R149-N153 PolarHBondContact O-OD1 3.05Å |
| 150 | R | 81.6 | Confident | 74.6 | Confident | 191 Ų | 191 | 103.4 Ų | 103.4 | 72% | 0.721 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.4 | -42.7 | 175.8 | -71.9 | -177.5 | -172.7 | -166.8 | 3 | 112 | N146 R147 N153 A154 | N146-R150 WeakPolarHBondContact O-CG 3.09Å; N146-R150 PolarHBondContact O-N 3.28Å; R147-R150 PolarHBondContact O-N 3.22Å; R150-N153 PolarHBondContact O-N 3.3Å; R150-A154 WeakPolarHBondContact O-CB 3.49Å; R150-A154 PolarHBondContact O-N 3.32Å |
| 151 | R | 77.3 | Confident | 74.9 | Confident | 138 Ų | 138 | 103.7 Ų | 103.7 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.3 | -78 | 179 | 174.9 | 179.6 | -3.8 | 112.7 | R147 F148 R149 A154 I155 | R147-R151 WeakPolarHBondContact O-CB 3.45Å; R147-R151 WeakPolarHBondContact O-CG 3.36Å; R147-R151 PolarHBondContact O-N 3.29Å; F148-R151 PolarHBondContact O-N 3.45Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.03Å; R151-A154 PolarHBondContact O-N 2.79Å; R151-I155 WeakPolarHBondContact O-CG1 3.39Å; R151-I155 PolarHBondContact O-N 3.13Å |
| 152 | R | 75.1 | Confident | 74.7 | Confident | 170 Ų | 170 | 100.7 Ų | 100.7 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | 177.4 | -75 | -170.9 | -67.3 | 160.4 | -1.3 | 112.2 | F148 R149 A154 I155 C156 | F148-R152 WeakPolarHBondContact O-CG 3.35Å; F148-R152 PolarHBondContact O-N 3.19Å; R149-R152 PolarHBondContact O-N 3.36Å; R152-A154 VanDerWaalsContact C-N 3.32Å; R152-A154 PolarHBondContact O-N 2.86Å; R152-I155 WeakPolarHBondContact O-CB 3.45Å; R152-I155 PolarHBondContact O-N 2.68Å; R152-C156 PolarHBondContact O-N 3.24Å |
| 153 | N | 66.6 | Low | 74.9 | Confident | 91 Ų | 91 | 103 Ų | 103 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 178.5 | -65.6 | 4.9 | 0 | 0 | 0 | 111.7 | R149 R150 I155 C156 D157 | R149-N153 PolarHBondContact O-N 3.28Å; R149-N153 PolarHBondContact O-OD1 3.05Å; R150-N153 PolarHBondContact O-N 3.3Å; N153-I155 PolarHBondContact O-N 2.87Å; N153-C156 PolarHBondContact O-N 3.16Å; N153-C156 VanDerWaalsContact O-N 3.1Å; N153-D157 PolarHBondContact O-N 2.81Å; N153-D157 VanDerWaalsContact O-N 3.13Å |
| 154 | A | 63.5 | Low | 75 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -29.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R150 R151 R152 S158 | R150-A154 WeakPolarHBondContact O-CB 3.49Å; R150-A154 PolarHBondContact O-N 3.32Å; R151-A154 PolarHBondContact O-N 2.79Å; R152-A154 VanDerWaalsContact C-N 3.32Å; R152-A154 PolarHBondContact O-N 2.86Å; A154-S158 PolarHBondContact O-N 3.11Å |
| 155 | I | 61.5 | Low | 75.1 | Confident | 94 Ų | 94 | 102 Ų | 102 | 48% | 0.482 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 175.5 | -63.7 | 164.4 | 0 | 0 | 0 | 110 | R151 R152 N153 S159 | R151-I155 WeakPolarHBondContact O-CG1 3.39Å; R151-I155 PolarHBondContact O-N 3.13Å; R152-I155 WeakPolarHBondContact O-CB 3.45Å; R152-I155 PolarHBondContact O-N 2.68Å; N153-I155 PolarHBondContact O-N 2.87Å; I155-S159 WeakPolarHBondContact O-CB 3.42Å; I155-S159 PolarHBondContact O-N 3Å |
| 156 | C | 57.9 | Low | 75.2 | Confident | 74 Ų | 74 | 98 Ų | 98 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.2 | -25.9 | -178 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | R152 N153 G162 | R152-C156 PolarHBondContact O-N 3.24Å; N153-C156 PolarHBondContact O-N 3.16Å; N153-C156 VanDerWaalsContact O-N 3.1Å; C156-G162 WeakPolarHBondContact O-CA 3.31Å |
| 157 | D | 59.4 | Low | 75.6 | Confident | 93 Ų | 93 | 98.5 Ų | 98.5 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -92.3 | -25.8 | -175.5 | -74 | -34.9 | 0 | 0 | 0 | 114.9 | N153 K166 | N153-D157 PolarHBondContact O-N 2.81Å; N153-D157 VanDerWaalsContact O-N 3.13Å; D157-K166 IonicContact OD1-NZ 3.79Å; D157-K166 PolarHBondContact OD1-NZ 2.82Å |
| 158 | S | 65.9 | Low | 76 | Confident | 108 Ų | 108 | 97.3 Ų | 97.3 | 76% | 0.755 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -133 | -4.3 | -174.7 | -44.7 | 0 | 0 | 0 | 0 | 115 | A154 | A154-S158 PolarHBondContact O-N 3.11Å |
| 159 | S | 69.5 | Low | 76.4 | Confident | 47 Ų | 47 | 98 Ų | 98 | 33% | 0.329 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -77.9 | 144.8 | 174.4 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | I155 L161 G162 Q163 | I155-S159 WeakPolarHBondContact O-CB 3.42Å; I155-S159 PolarHBondContact O-N 3Å; S159-L161 PolarHBondContact O-N 2.96Å; S159-L161 VanDerWaalsContact O-N 3.13Å; S159-G162 WeakPolarHBondContact O-CA 3.45Å; S159-G162 PolarHBondContact O-N 3.41Å; S159-Q163 PolarHBondContact O-N 3.25Å |
| 160 | A | 75.5 | Confident | 76.8 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 73% | 0.727 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -51.8 | -34.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G164 | A160-G164 PolarHBondContact O-N 2.81Å |
| 161 | L | 79.4 | Confident | 77.2 | Confident | 120 Ų | 120 | 88.5 Ų | 88.5 | 63% | 0.628 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.8 | -42.7 | 174.8 | -177.9 | 64.8 | 0 | 0 | 0 | 112.2 | S159 G164 L165 | S159-L161 PolarHBondContact O-N 2.96Å; S159-L161 VanDerWaalsContact O-N 3.13Å; L161-G164 PolarHBondContact O-N 3.3Å; L161-L165 HydrophobicContact CG-CD1 4.36Å; L161-L165 WeakPolarHBondContact O-CB 2.87Å; L161-L165 WeakPolarHBondContact O-CG 3.22Å; L161-L165 PolarHBondContact O-N 3.37Å |
| 162 | G | 77.3 | Confident | 77.9 | Confident | 7 Ų | 7 | 88.2 Ų | 88.2 | 7% | 0.072 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C156 S159 L165 K166 | C156-G162 WeakPolarHBondContact O-CA 3.31Å; S159-G162 WeakPolarHBondContact O-CA 3.45Å; S159-G162 PolarHBondContact O-N 3.41Å; G162-L165 PolarHBondContact O-N 3.5Å; G162-K166 WeakPolarHBondContact O-CG 3.08Å; G162-K166 PolarHBondContact O-N 3.34Å |
| 163 | Q | 83.9 | Confident | 78.6 | Confident | 87 Ų | 87 | 84.3 Ų | 84.3 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 174.7 | -169.2 | 58.9 | 47.2 | 0 | 0 | 111.6 | S159 L165 K166 D167 | S159-Q163 PolarHBondContact O-N 3.25Å; Q163-L165 VanDerWaalsContact C-N 3.3Å; Q163-L165 PolarHBondContact O-N 2.67Å; Q163-K166 WeakPolarHBondContact O-CB 3.47Å; Q163-K166 PolarHBondContact O-N 3.49Å; Q163-K166 VanDerWaalsContact O-N 3.09Å; Q163-D167 PolarHBondContact NE2-OD1 2.72Å; Q163-D167 VanDerWaalsContact O-CG 3.22Å; Q163-D167 PolarHBondContact O-N 3.49Å |
| 164 | G | 85.4 | Confident | 79.7 | Confident | 39 Ų | 39 | 84 Ų | 84 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A160 L161 F168 | A160-G164 PolarHBondContact O-N 2.81Å; L161-G164 PolarHBondContact O-N 3.3Å; G164-F168 VanDerWaalsContact O-CB 3.28Å; G164-F168 WeakPolarHBondContact O-CB 3.47Å; G164-F168 PolarHBondContact O-N 3.23Å |
| 165 | L | 86.2 | Confident | 80.7 | Confident | 87 Ų | 87 | 83.7 Ų | 83.7 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 172.9 | -72.8 | 173.8 | 0 | 0 | 0 | 111.8 | L161 G162 Q163 D167 F168 F169 | L161-L165 HydrophobicContact CG-CD1 4.36Å; L161-L165 WeakPolarHBondContact O-CB 2.87Å; L161-L165 WeakPolarHBondContact O-CG 3.22Å; L161-L165 PolarHBondContact O-N 3.37Å; G162-L165 PolarHBondContact O-N 3.5Å; Q163-L165 VanDerWaalsContact C-N 3.3Å; Q163-L165 PolarHBondContact O-N 2.67Å; L165-D167 VanDerWaalsContact C-N 3.35Å; L165-F168 PolarHBondContact O-N 2.76Å; L165-F169 WeakPolarHBondContact O-CD2 3.4Å; L165-F169 PolarHBondContact O-N 2.78Å |
| 166 | K | 86.9 | Confident | 81.8 | Confident | 95 Ų | 95 | 82.2 Ų | 82.2 | 41% | 0.413 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.9 | -76.9 | 176.7 | 173.9 | 178.3 | 0 | 111.3 | D157 G162 Q163 F169 A170 | D157-K166 IonicContact OD1-NZ 3.79Å; D157-K166 PolarHBondContact OD1-NZ 2.82Å; G162-K166 WeakPolarHBondContact O-CG 3.08Å; G162-K166 PolarHBondContact O-N 3.34Å; Q163-K166 WeakPolarHBondContact O-CB 3.47Å; Q163-K166 PolarHBondContact O-N 3.49Å; Q163-K166 VanDerWaalsContact O-N 3.09Å; K166-F169 PolarHBondContact O-N 3.43Å; K166-A170 VanDerWaalsContact O-CB 3.31Å; K166-A170 WeakPolarHBondContact O-CB 3.41Å; K166-A170 PolarHBondContact O-N 2.91Å |
| 167 | D | 88.9 | Confident | 83.1 | Confident | 81 Ų | 81 | 83.3 Ų | 83.3 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 179 | -63 | -21.3 | 0 | 0 | 0 | 111.5 | Q163 L165 S171 | Q163-D167 PolarHBondContact NE2-OD1 2.72Å; Q163-D167 VanDerWaalsContact O-CG 3.22Å; Q163-D167 PolarHBondContact O-N 3.49Å; L165-D167 VanDerWaalsContact C-N 3.35Å; D167-S171 VanDerWaalsContact O-CB 3.24Å; D167-S171 WeakPolarHBondContact O-CB 3.32Å; D167-S171 PolarHBondContact O-N 3.17Å; D167-S171 PolarHBondContact O-OG 2.95Å |
| 168 | F | 90.9 | Very high | 84.2 | Confident | 124 Ų | 124 | 81.7 Ų | 81.7 | 54% | 0.544 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 173.2 | 172.3 | -97.9 | 0 | 0 | 0 | 111.8 | G164 L165 A170 S171 Y172 | G164-F168 VanDerWaalsContact O-CB 3.28Å; G164-F168 WeakPolarHBondContact O-CB 3.47Å; G164-F168 PolarHBondContact O-N 3.23Å; L165-F168 PolarHBondContact O-N 2.76Å; F168-A170 PolarHBondContact O-N 2.98Å; F168-S171 PolarHBondContact O-N 3.43Å; F168-Y172 WeakPolarHBondContact O-CB 3.3Å; F168-Y172 PolarHBondContact O-N 3.48Å |
| 169 | F | 89.2 | Confident | 84.9 | Confident | 129 Ų | 129 | 80.5 Ų | 80.5 | 57% | 0.566 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 178.4 | -78.2 | -63.7 | 0 | 0 | 0 | 111.9 | L165 K166 Y172 V173 | L165-F169 WeakPolarHBondContact O-CD2 3.4Å; L165-F169 PolarHBondContact O-N 2.78Å; K166-F169 PolarHBondContact O-N 3.43Å; F169-Y172 PolarHBondContact O-N 3.28Å; F169-V173 WeakPolarHBondContact O-CB 3.38Å; F169-V173 VanDerWaalsContact O-CG2 3.31Å; F169-V173 WeakPolarHBondContact O-CG2 3.34Å; F169-V173 PolarHBondContact O-N 2.88Å |
| 170 | A | 90.7 | Very high | 85.4 | Confident | 52 Ų | 52 | 81.6 Ų | 81.6 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K166 F168 Y172 V173 V174 | K166-A170 VanDerWaalsContact O-CB 3.31Å; K166-A170 WeakPolarHBondContact O-CB 3.41Å; K166-A170 PolarHBondContact O-N 2.91Å; F168-A170 PolarHBondContact O-N 2.98Å; A170-Y172 PolarHBondContact O-N 2.83Å; A170-V173 PolarHBondContact O-N 3.39Å; A170-V174 VanDerWaalsContact O-CB 3.26Å; A170-V174 WeakPolarHBondContact O-CB 3.2Å; A170-V174 WeakPolarHBondContact O-CG2 3.28Å; A170-V174 PolarHBondContact O-N 2.93Å |
| 171 | S | 90.1 | Very high | 85.6 | Confident | 77 Ų | 77 | 83.4 Ų | 83.4 | 54% | 0.538 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 178.2 | -59 | 0 | 0 | 0 | 0 | 111.9 | D167 F168 S175 | D167-S171 VanDerWaalsContact O-CB 3.24Å; D167-S171 WeakPolarHBondContact O-CB 3.32Å; D167-S171 PolarHBondContact O-N 3.17Å; D167-S171 PolarHBondContact O-OG 2.95Å; F168-S171 PolarHBondContact O-N 3.43Å; S171-S175 WeakPolarHBondContact O-CB 2.95Å; S171-S175 PolarHBondContact O-N 3.35Å; S171-S175 PolarHBondContact O-OG 2.82Å |
| 172 | Y | 91.4 | Very high | 85.4 | Confident | 132 Ų | 132 | 81.6 Ų | 81.6 | 52% | 0.518 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 178.3 | -179.7 | -95.6 | 0 | 0 | 0 | 112 | F168 F169 A170 S175 N176 | F168-Y172 WeakPolarHBondContact O-CB 3.3Å; F168-Y172 PolarHBondContact O-N 3.48Å; F169-Y172 PolarHBondContact O-N 3.28Å; A170-Y172 PolarHBondContact O-N 2.83Å; Y172-S175 PolarHBondContact O-OG 3.49Å; Y172-N176 WeakPolarHBondContact CD2-ND2 3.23Å; Y172-N176 WeakPolarHBondContact CE1-ND2 3.5Å; Y172-N176 WeakPolarHBondContact CE2-ND2 3.21Å; Y172-N176 WeakPolarHBondContact O-CB 3.31Å; Y172-N176 PolarHBondContact O-N 3.09Å; Y172-N176 PolarHBondContact O-ND2 3.32Å |
| 173 | V | 90.7 | Very high | 84.5 | Confident | 88 Ų | 88 | 84.2 Ų | 84.2 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68 | -43.5 | 178 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | F169 A170 N176 L177 | F169-V173 WeakPolarHBondContact O-CB 3.38Å; F169-V173 VanDerWaalsContact O-CG2 3.31Å; F169-V173 WeakPolarHBondContact O-CG2 3.34Å; F169-V173 PolarHBondContact O-N 2.88Å; A170-V173 PolarHBondContact O-N 3.39Å; V173-N176 PolarHBondContact O-N 2.98Å; V173-L177 WeakPolarHBondContact O-CB 3.44Å; V173-L177 PolarHBondContact O-N 3.46Å |
| 174 | V | 90.2 | Very high | 82.9 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | A170 L177 T178 | A170-V174 VanDerWaalsContact O-CB 3.26Å; A170-V174 WeakPolarHBondContact O-CB 3.2Å; A170-V174 WeakPolarHBondContact O-CG2 3.28Å; A170-V174 PolarHBondContact O-N 2.93Å; V174-L177 PolarHBondContact O-N 2.94Å; V174-T178 WeakPolarHBondContact O-CB 3.24Å; V174-T178 PolarHBondContact O-N 2.91Å; V174-T178 PolarHBondContact O-OG1 2.71Å |
| 175 | S | 83.4 | Confident | 81.4 | Confident | 50 Ų | 50 | 91.1 Ų | 91.1 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -52.1 | 176.8 | 70.9 | 0 | 0 | 0 | 0 | 110.2 | S171 Y172 L177 T178 D179 | S171-S175 WeakPolarHBondContact O-CB 2.95Å; S171-S175 PolarHBondContact O-N 3.35Å; S171-S175 PolarHBondContact O-OG 2.82Å; Y172-S175 PolarHBondContact O-OG 3.49Å; S175-L177 VanDerWaalsContact C-N 3.32Å; S175-L177 PolarHBondContact O-N 3.43Å; S175-T178 PolarHBondContact O-N 2.9Å; S175-D179 WeakPolarHBondContact O-CB 3.35Å; S175-D179 PolarHBondContact O-N 2.84Å |
| 176 | N | 84.6 | Confident | 79.5 | Confident | 62 Ų | 62 | 90.7 Ų | 90.7 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -35.1 | -180 | -78 | -85.6 | 0 | 0 | 0 | 112.8 | Y172 V173 S180 | Y172-N176 WeakPolarHBondContact CD2-ND2 3.23Å; Y172-N176 WeakPolarHBondContact CE1-ND2 3.5Å; Y172-N176 WeakPolarHBondContact CE2-ND2 3.21Å; Y172-N176 WeakPolarHBondContact O-CB 3.31Å; Y172-N176 PolarHBondContact O-N 3.09Å; Y172-N176 PolarHBondContact O-ND2 3.32Å; V173-N176 PolarHBondContact O-N 2.98Å; N176-S180 VanDerWaalsContact O-CB 3.23Å; N176-S180 WeakPolarHBondContact O-CB 3.38Å; N176-S180 PolarHBondContact O-N 2.85Å; N176-S180 PolarHBondContact O-OG 2.73Å |
| 177 | L | 86.4 | Confident | 77.7 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.3 | -42.8 | 176.1 | -176.7 | 65.7 | 0 | 0 | 0 | 111.1 | V173 V174 S175 S180 M181 | V173-L177 WeakPolarHBondContact O-CB 3.44Å; V173-L177 PolarHBondContact O-N 3.46Å; V174-L177 PolarHBondContact O-N 2.94Å; S175-L177 VanDerWaalsContact C-N 3.32Å; S175-L177 PolarHBondContact O-N 3.43Å; L177-S180 PolarHBondContact O-N 3.22Å; L177-M181 HydrophobicContact CG-CE 4.22Å; L177-M181 WeakPolarHBondContact O-CG 3.09Å; L177-M181 PolarHBondContact O-N 2.82Å |
| 178 | T | 82.9 | Confident | 75.9 | Confident | 59 Ų | 59 | 93.9 Ų | 93.9 | 36% | 0.362 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 176.1 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | V174 S175 S180 M181 T182 | V174-T178 WeakPolarHBondContact O-CB 3.24Å; V174-T178 PolarHBondContact O-N 2.91Å; V174-T178 PolarHBondContact O-OG1 2.71Å; S175-T178 PolarHBondContact O-N 2.9Å; T178-S180 VanDerWaalsContact C-N 3.28Å; T178-S180 PolarHBondContact O-N 2.84Å; T178-M181 PolarHBondContact O-N 2.66Å; T178-T182 HydrophobicContact CG2-CG2 4.36Å; T178-T182 WeakPolarHBondContact O-CB 3.37Å; T178-T182 WeakPolarHBondContact O-CG2 3.46Å; T178-T182 PolarHBondContact O-N 2.86Å; T178-T182 PolarHBondContact O-OG1 2.92Å |
| 179 | D | 80.2 | Confident | 73.6 | Confident | 84 Ų | 84 | 93.9 Ų | 93.9 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58 | -44.1 | 172.6 | -66.8 | -18.5 | 0 | 0 | 0 | 109.1 | S175 M181 T182 S183 | S175-D179 WeakPolarHBondContact O-CB 3.35Å; S175-D179 PolarHBondContact O-N 2.84Å; D179-M181 PolarHBondContact O-N 2.92Å; D179-T182 WeakPolarHBondContact CA-OG1 3.34Å; D179-T182 PolarHBondContact O-N 3.13Å; D179-T182 PolarHBondContact O-OG1 3.13Å; D179-S183 VanDerWaalsContact O-CA 3.3Å; D179-S183 WeakPolarHBondContact O-CA 3.16Å; D179-S183 WeakPolarHBondContact O-CB 3.17Å; D179-S183 PolarHBondContact O-N 3.46Å; D179-S183 PolarHBondContact O-OG 3.39Å; D179-S183 VanDerWaalsContact O-OG 3.11Å |
| 180 | S | 80.2 | Confident | 71.5 | Confident | 70 Ų | 70 | 92.8 Ų | 92.8 | 49% | 0.49 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.9 | -44 | 176.4 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | N176 L177 T178 T182 S183 | N176-S180 VanDerWaalsContact O-CB 3.23Å; N176-S180 WeakPolarHBondContact O-CB 3.38Å; N176-S180 PolarHBondContact O-N 2.85Å; N176-S180 PolarHBondContact O-OG 2.73Å; L177-S180 PolarHBondContact O-N 3.22Å; T178-S180 VanDerWaalsContact C-N 3.28Å; T178-S180 PolarHBondContact O-N 2.84Å; S180-T182 VanDerWaalsContact C-N 3.34Å; S180-T182 PolarHBondContact O-N 2.84Å; S180-S183 WeakPolarHBondContact CA-OG 3.26Å; S180-S183 PolarHBondContact O-OG 2.75Å |
| 181 | M | 79.4 | Confident | 69.2 | Low | 126 Ų | 126 | 95.4 Ų | 95.4 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.9 | -33.6 | 178 | -71 | -173.9 | -60.1 | 0 | 0 | 112.8 | L177 T178 D179 | L177-M181 HydrophobicContact CG-CE 4.22Å; L177-M181 WeakPolarHBondContact O-CG 3.09Å; L177-M181 PolarHBondContact O-N 2.82Å; T178-M181 PolarHBondContact O-N 2.66Å; D179-M181 PolarHBondContact O-N 2.92Å |
| 182 | T | 74.7 | Confident | 67.3 | Low | 82 Ų | 82 | 97 Ų | 97 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -92.1 | -19.6 | -179.8 | 58 | 0 | 0 | 0 | 0 | 113.4 | T178 D179 S180 S184 L185 | T178-T182 HydrophobicContact CG2-CG2 4.36Å; T178-T182 WeakPolarHBondContact O-CB 3.37Å; T178-T182 WeakPolarHBondContact O-CG2 3.46Å; T178-T182 PolarHBondContact O-N 2.86Å; T178-T182 PolarHBondContact O-OG1 2.92Å; D179-T182 WeakPolarHBondContact CA-OG1 3.34Å; D179-T182 PolarHBondContact O-N 3.13Å; D179-T182 PolarHBondContact O-OG1 3.13Å; S180-T182 VanDerWaalsContact C-N 3.34Å; S180-T182 PolarHBondContact O-N 2.84Å; T182-S184 PolarHBondContact O-N 2.84Å; T182-S184 VanDerWaalsContact O-N 3.13Å; T182-L185 PolarHBondContact O-N 2.9Å |
| 183 | S | 57.9 | Low | 65 | Low | 61 Ų | 61 | 96.2 Ų | 96.2 | 43% | 0.427 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -66.8 | -12.7 | 177.8 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | D179 S180 L185 S186 | D179-S183 VanDerWaalsContact O-CA 3.3Å; D179-S183 WeakPolarHBondContact O-CA 3.16Å; D179-S183 WeakPolarHBondContact O-CB 3.17Å; D179-S183 PolarHBondContact O-N 3.46Å; D179-S183 PolarHBondContact O-OG 3.39Å; D179-S183 VanDerWaalsContact O-OG 3.11Å; S180-S183 WeakPolarHBondContact CA-OG 3.26Å; S180-S183 PolarHBondContact O-OG 2.75Å; S183-L185 PolarHBondContact O-N 3.23Å; S183-S186 PolarHBondContact O-N 3.32Å |
| 184 | S | 51.3 | Low | 62.8 | Low | 101 Ų | 101 | 100.2 Ų | 100.2 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -61.8 | -5.7 | 173.5 | -62.9 | 0 | 0 | 0 | 0 | 113.8 | T182 | T182-S184 PolarHBondContact O-N 2.84Å; T182-S184 VanDerWaalsContact O-N 3.13Å |
| 185 | L | 53.2 | Low | 60.2 | Low | 170 Ų | 170 | 106.1 Ų | 106.1 | 89% | 0.89 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -125.5 | 7.1 | 171.2 | -64.3 | 174.7 | 0 | 0 | 0 | 114.3 | T182 S183 | T182-L185 PolarHBondContact O-N 2.9Å; S183-L185 PolarHBondContact O-N 3.23Å |
| 186 | S | 47.3 | Very low | 58.1 | Low | 78 Ų | 78 | 108.1 Ų | 108.1 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | | | trans | -112.6 | 81.9 | -177.9 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | S183 G188 | S183-S186 PolarHBondContact O-N 3.32Å; S186-G188 PolarHBondContact O-N 2.78Å |
| 187 | L | 49.1 | Very low | 55.8 | Low | 193 Ų | 193 | 109.9 Ų | 109.9 | 100% | 1.01 | 66% | 0.656 | S | S | * | * | | | trans | -68.7 | 70.2 | 160.8 | -72 | 165.6 | 0 | 0 | 0 | 108.6 | | |
| 188 | G | 51.2 | Low | 53.8 | Low | 50 Ų | 50 | 112.6 Ų | 112.6 | 52% | 0.515 | 67% | 0.67 | S | S | . | * | S | Bend | trans | 177.2 | 90 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | S186 | S186-G188 PolarHBondContact O-N 2.78Š|
| 189 | S | 41 | Very low | 51.8 | Low | 124 Ų | 124 | 118.2 Ų | 118.2 | 87% | 0.867 | 69% | 0.692 | S | S | * | * | | | trans | 46 | 88.7 | 133 | 174.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 190 | S | 45.6 | Very low | 49.7 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | | | trans | -138.9 | 72.5 | 148.4 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 191 | C | 43.4 | Very low | 47.8 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 72% | 0.716 | 72% | 0.724 | S | S | * | * | | | trans | -58.9 | 131.9 | 155.6 | -80.8 | 0 | 0 | 0 | 0 | 107.9 | V193 | C191-V193 HydrophobicContact CB-CG2 4.35Å; C191-V193 PolarHBondContact O-N 2.84Å |
| 192 | P | 48.6 | Very low | 46.2 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | | | trans | -67.1 | 88.4 | 162.4 | 28.3 | -30.7 | 0 | 0 | 0 | 106.7 | F194 | P192-F194 PolarHBondContact O-N 3.35Š|
| 193 | V | 43.9 | Very low | 44.6 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | | | trans | -66.2 | 95.6 | 168.7 | 177.2 | 0 | 0 | 0 | 0 | 105.6 | C191 K195 | C191-V193 HydrophobicContact CB-CG2 4.35Å; C191-V193 PolarHBondContact O-N 2.84Å; V193-K195 VanDerWaalsContact C-N 3.31Å; V193-K195 PolarHBondContact O-N 3.34Å |
| 194 | F | 44.6 | Very low | 43.8 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -44.8 | 105.6 | 150.7 | -75 | -87.3 | 0 | 0 | 0 | 106.1 | P192 S196 | P192-F194 PolarHBondContact O-N 3.35Å; F194-S196 PolarHBondContact O-N 3.08Å; F194-S196 PolarHBondContact O-OG 3.44Å |
| 195 | K | 36 | Very low | 43.3 | Very low | 211 Ų | 211 | 132.3 Ų | 132.3 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | | | trans | -69.2 | 73.3 | 171.1 | -85.3 | -178 | 174.1 | 175.2 | 0 | 107.9 | V193 | V193-K195 VanDerWaalsContact C-N 3.31Å; V193-K195 PolarHBondContact O-N 3.34Å |
| 196 | S | 39.5 | Very low | 42.8 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | -106.2 | 106.5 | 161.4 | 40.9 | 0 | 0 | 0 | 0 | 106.7 | F194 | F194-S196 PolarHBondContact O-N 3.08Å; F194-S196 PolarHBondContact O-OG 3.44Å |
| 197 | S | 35.5 | Very low | 42.6 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | 75.1 | 114.7 | 139.4 | -144.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 198 | L | 44.7 | Very low | 42.2 | Very low | 153 Ų | 153 | 134 Ų | 134 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | | | trans | 86.2 | 113.6 | 141.4 | -61.4 | 159.4 | 0 | 0 | 0 | 119.9 | | |
| 199 | Q | 39.5 | Very low | 41.6 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | 86.3 | 126.7 | 139.8 | -77.4 | -116.4 | -36.1 | 0 | 0 | 120.7 | | |
| 200 | P | 36.2 | Very low | 41.8 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -93.9 | 139.3 | 172.5 | 36.8 | -28.4 | 0 | 0 | 0 | 110.8 | | |
| 201 | H | 40.5 | Very low | 41.6 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -139.6 | 129.2 | 159.3 | -159 | -68 | 0 | 0 | 0 | 110.7 | | |
| 202 | V | 46.4 | Very low | 41.6 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -67.6 | 150.2 | -178.8 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 203 | P | 40.6 | Very low | 41.2 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -86 | 138.9 | -163.2 | 33.8 | -31 | 0 | 0 | 0 | 111.7 | | |
| 204 | N | 40.9 | Very low | 40.9 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | | | trans | -114.8 | 134.4 | 166.4 | -106.4 | -9.7 | 0 | 0 | 0 | 110.3 | | |
| 205 | T | 42.2 | Very low | 40.8 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -73.6 | 164.9 | -177.5 | 39.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 206 | V | 42.9 | Very low | 41.4 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | 83.1 | 130 | 157.7 | -143.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 207 | S | 42.1 | Very low | 41.4 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | 98.6 | 89.4 | 161.5 | -41.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 208 | R | 40.1 | Very low | 42 | Very low | 245 Ų | 245 | 138.5 Ų | 138.5 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | | | | 45.9 | 122.2 | 84.9 | -75.6 | -171.8 | 158.9 | -150.1 | -3.9 | 113.2 | | |
| 209 | L | 39.6 | Very low | 42.1 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | 117.4 | 136.8 | 138.1 | -151.2 | 67.4 | 0 | 0 | 0 | 116.3 | | |
| 210 | A | 45.2 | Very low | 42.4 | Very low | 79 Ų | 79 | 134 Ų | 134 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | | | trans | 75.5 | 115 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 211 | H | 41.1 | Very low | 43 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | cis | 44.5 | 80.6 | 31.3 | -83.3 | 79.7 | 0 | 0 | 0 | 113.6 | | |
| 212 | S | 43.2 | Very low | 43.7 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | -173 | 110.3 | 147.8 | 50.3 | 0 | 0 | 0 | 0 | 110 | | |
| 213 | D | 40.8 | Very low | 44.1 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | 47 | 114.1 | 131.2 | -51 | -44.6 | 0 | 0 | 0 | 120.1 | | |
| 214 | C | 37 | Very low | 44.8 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | | -152.8 | 105.9 | 129.1 | -158.2 | 0 | 0 | 0 | 0 | 110 | | |
| 215 | A | 43.2 | Very low | 45.7 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | -67.5 | 138 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 216 | I | 47.4 | Very low | 46.5 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -120.2 | 101.6 | 152.9 | -63.6 | 177.7 | 0 | 0 | 0 | 106.2 | | |
| 217 | S | 41.4 | Very low | 47.4 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | -104.1 | 124.5 | 171.9 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 218 | S | 47.2 | Very low | 48.4 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | | | trans | -168.6 | 90.7 | 155.3 | 59.4 | 0 | 0 | 0 | 0 | 106 | | |
| 219 | V | 46.5 | Very low | 49.5 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | | | | 44.9 | 93 | 85.3 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 220 | C | 46.2 | Very low | 50.6 | Low | 118 Ų | 118 | 131.8 Ų | 131.8 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -129.5 | 78.1 | 150.6 | -66.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 221 | L | 49.3 | Very low | 50.9 | Low | 162 Ų | 162 | 139.8 Ų | 139.8 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -83.9 | 115.4 | 153.8 | -76.6 | 165.4 | 0 | 0 | 0 | 105.8 | | |
| 222 | I | 54.3 | Low | 51.4 | Low | 155 Ų | 155 | 136.8 Ų | 136.8 | 80% | 0.795 | 80% | 0.802 | S | S | * | * | | | trans | -127.7 | 88.3 | 164.7 | -55.5 | 171.5 | 0 | 0 | 0 | 102.7 | | |
| 223 | D | 54.2 | Low | 51.8 | Low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | | 77.3 | 132.2 | 87.6 | -151.9 | 10.4 | 0 | 0 | 0 | 112.2 | | |
| 224 | S | 55.8 | Low | 52.5 | Low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | -89.6 | 127.9 | -163.5 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 225 | E | 61.1 | Low | 53.4 | Low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -123.7 | 103.7 | 156.6 | -103.1 | -175.9 | 90 | 0 | 0 | 109.3 | | |
| 226 | S | 58.8 | Low | 54 | Low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -69.6 | 120.9 | 159.5 | -67 | 0 | 0 | 0 | 0 | 108.5 | | |
| 227 | Q | 60.5 | Low | 54.4 | Low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | trans | -118.3 | 101.7 | 154 | -77.4 | -169.3 | 3.4 | 0 | 0 | 108.5 | | |
| 228 | S | 62.9 | Low | 55.4 | Low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -68.6 | 117 | 154.6 | 47.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 229 | E | 63.9 | Low | 56 | Low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | | | trans | -119.7 | 123.4 | 151.2 | -91.6 | -172.9 | 106 | 0 | 0 | 108.3 | | |
| 230 | S | 62.8 | Low | 56.8 | Low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | | | trans | -82.1 | 144.2 | -179.7 | 62.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 231 | L | 51.7 | Low | 57.8 | Low | 246 Ų | 246 | 152.1 Ų | 152.1 | 100% | 1.288 | 84% | 0.84 | S | S | * | * | | | trans | 61.5 | 0 | 155.1 | -86.8 | 153.5 | 0 | 0 | 0 | 118.4 | | |