| 1 | M | 45.8 | Very low | 49.9 | Very low | 241 Ų | 241 | 164.1 Ų | 164.1 | 100% | 1.187 | 82% | 0.819 | S | S | * | * | | | | 0 | 87.7 | 0 | -69 | 165.4 | 169.1 | 0 | 0 | 106.6 | | |
| 2 | R | 43.6 | Very low | 49.9 | Very low | 249 Ų | 249 | 159.8 Ų | 159.8 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | | | | 33.9 | 102.7 | 89.1 | -64.5 | -158.6 | -164 | -175.5 | 6.8 | 115 | | |
| 3 | R | 45.1 | Very low | 49.8 | Very low | 247 Ų | 247 | 157.7 Ų | 157.7 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | 170.4 | 106.8 | 132.3 | -94.2 | 171.5 | 172.6 | 158.1 | -1.4 | 107.7 | | |
| 4 | A | 55.7 | Low | 49.3 | Very low | 78 Ų | 78 | 152.7 Ų | 152.7 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | | | | 81.2 | 103.1 | 71.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 5 | D | 46.3 | Very low | 49.5 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | 42.6 | 111.7 | 132.4 | -44.5 | -40.9 | 0 | 0 | 0 | 119 | | |
| 6 | I | 60 | Low | 49.4 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -132.5 | 94.9 | 144.4 | -58.3 | -179.7 | 0 | 0 | 0 | 107.5 | V8 | I6-V8 HydrophobicContact CG2-CG2 4.1Š|
| 7 | E | 47.7 | Very low | 48.6 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -64.4 | 127.6 | 159.9 | -174.3 | -174.8 | 178.5 | 0 | 0 | 108.6 | | |
| 8 | V | 58.6 | Low | 48.1 | Very low | 105 Ų | 105 | 152.9 Ų | 152.9 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | | | trans | -119.9 | 112.4 | 165.6 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | I6 | I6-V8 HydrophobicContact CG2-CG2 4.1Š|
| 9 | P | 46.3 | Very low | 47.6 | Very low | 92 Ų | 92 | 148.3 Ų | 148.3 | 60% | 0.597 | 80% | 0.799 | S | S | * | * | | | trans | -82.9 | 127.6 | 178.7 | 33.2 | -29.5 | 0 | 0 | 0 | 108.8 | | |
| 10 | N | 50.5 | Low | 47.5 | Very low | 151 Ų | 151 | 153.2 Ų | 153.2 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | trans | -125.3 | 82 | 162.3 | -79.4 | -67.8 | 0 | 0 | 0 | 107.9 | | |
| 11 | L | 49.5 | Very low | 47.3 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -62.5 | 144.2 | 167.7 | -107.3 | 125.3 | 0 | 0 | 0 | 109.9 | V13 | L11-V13 PolarHBondContact O-N 3.33Š|
| 12 | P | 49.2 | Very low | 46.8 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -67.3 | 128.3 | 178.4 | 27.1 | -34 | 0 | 0 | 0 | 110.9 | A14 | P12-A14 PolarHBondContact O-N 2.73Å; P12-A14 VanDerWaalsContact O-N 3.11Å |
| 13 | V | 48.7 | Very low | 46.5 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -62.9 | 109.8 | 165.8 | 170 | 0 | 0 | 0 | 0 | 107.9 | L11 V15 | L11-V13 PolarHBondContact O-N 3.33Å; V13-V15 HydrophobicContact CG1-CG2 4.24Å; V13-V15 PolarHBondContact O-N 3.48Å |
| 14 | A | 42.8 | Very low | 46.2 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -69.8 | 114.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P12 | P12-A14 PolarHBondContact O-N 2.73Å; P12-A14 VanDerWaalsContact O-N 3.11Å |
| 15 | V | 52.2 | Low | 45.5 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | | | trans | -98.1 | 94.3 | 168.1 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | V13 | V13-V15 HydrophobicContact CG1-CG2 4.24Å; V13-V15 PolarHBondContact O-N 3.48Å |
| 16 | D | 47.7 | Very low | 45.1 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | | | | 49.5 | 92.8 | 127.3 | -22.5 | -30.3 | 0 | 0 | 0 | 118.4 | W18 | D16-W18 PolarHBondContact O-N 3.37Š|
| 17 | A | 35.6 | Very low | 44.2 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | | 28.5 | 82.1 | 121 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 18 | W | 40.3 | Very low | 43.9 | Very low | 267 Ų | 267 | 133.3 Ų | 133.3 | 100% | 1.011 | 78% | 0.775 | S | S | * | * | | | trans | -121.3 | 114.4 | 140.3 | -99.8 | 41.5 | 0 | 0 | 0 | 105.9 | D16 | D16-W18 PolarHBondContact O-N 3.37Š|
| 19 | G | 38.9 | Very low | 43 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | cis | 122.5 | 64 | 21.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 20 | R | 46.2 | Very low | 43 | Very low | 247 Ų | 247 | 139.4 Ų | 139.4 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | | | trans | 144.9 | 139.2 | 163 | -93.1 | 174.3 | -120 | -109.1 | -2.3 | 109.8 | | |
| 21 | S | 41.5 | Very low | 42.7 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | cis | -160.7 | 131.5 | -1.3 | -179.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 22 | A | 37.3 | Very low | 42.3 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | -62.1 | 153.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y24 | A22-Y24 HydrophobicContact CB-CE2 4.41Š|
| 23 | C | 36.3 | Very low | 42 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -54.6 | 134.4 | 161.8 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 24 | Y | 38.7 | Very low | 41.7 | Very low | 216 Ų | 216 | 142.9 Ų | 142.9 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | trans | -148.8 | 152 | 153.4 | -85.2 | -72.2 | 0 | 0 | 0 | 111.1 | A22 | A22-Y24 HydrophobicContact CB-CE2 4.41Š|
| 25 | P | 40.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -95.6 | 171.7 | -156.1 | 38.1 | -36 | 0 | 0 | 0 | 115.6 | | |
| 26 | Q | 38.6 | Very low | 41.7 | Very low | 204 Ų | 204 | 148 Ų | 148 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | | | trans | -9.6 | 128.2 | 167.9 | -81.2 | 169 | -34.2 | 0 | 0 | 118.6 | | |
| 27 | G | 41.3 | Very low | 41.2 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -127.5 | 149.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 28 | P | 39.8 | Very low | 41.6 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -93.4 | 144.7 | -160.8 | 35.4 | -33.6 | 0 | 0 | 0 | 115.7 | | |
| 29 | Q | 40.7 | Very low | 41.9 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | 25.4 | 111.4 | 144.5 | -64.4 | -75.1 | 24 | 0 | 0 | 119.3 | | |
| 30 | V | 45.4 | Very low | 42.5 | Very low | 142 Ų | 142 | 157.1 Ų | 157.1 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -106.8 | 129.7 | 163.9 | 176.8 | 0 | 0 | 0 | 0 | 110 | | |
| 31 | R | 44 | Very low | 42.6 | Very low | 230 Ų | 230 | 152.4 Ų | 152.4 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | | | trans | -77.8 | 138.7 | -173 | -70.3 | 176.4 | 175.2 | -176.9 | -1.2 | 114.1 | | |
| 32 | K | 42.8 | Very low | 42.9 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | 50.9 | 154.1 | 137 | -66.6 | -170 | 176.6 | -178.3 | 0 | 121 | | |
| 33 | P | 42.5 | Very low | 43.2 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | | -130.6 | 162.2 | 91.5 | 18.2 | 2.5 | 0 | 0 | 0 | 114.7 | | |
| 34 | A | 42.4 | Very low | 43.8 | Very low | 73 Ų | 73 | 153.6 Ų | 153.6 | 60% | 0.603 | 81% | 0.813 | S | S | * | * | | | trans | -101.4 | -176.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 35 | I | 51 | Low | 44.4 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | | | trans | 102.1 | 125.2 | 175.3 | -52.5 | 156 | 0 | 0 | 0 | 110.4 | | |
| 36 | Q | 44 | Very low | 44.8 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | | | cis | -158.5 | 126.2 | 37.3 | -138.3 | 152.1 | -14 | 0 | 0 | 107.9 | | |
| 37 | E | 37.6 | Very low | 45 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | | | | 74 | 121.5 | 92.9 | -155 | 173.3 | -147 | 0 | 0 | 114.6 | | |
| 38 | W | 44.1 | Very low | 45.3 | Very low | 255 Ų | 255 | 155 Ų | 155 | 97% | 0.966 | 81% | 0.812 | S | S | * | * | | | trans | -174.4 | 113.8 | 141.8 | -83.3 | 111.7 | 0 | 0 | 0 | 109 | | |
| 39 | Y | 46.3 | Very low | 45.5 | Very low | 221 Ų | 221 | 152.8 Ų | 152.8 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | -106.6 | 155.7 | 164.6 | -74.7 | -83.4 | 0 | 0 | 0 | 109.4 | | |
| 40 | P | 50.9 | Low | 45.9 | Very low | 129 Ų | 129 | 153.4 Ų | 153.4 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -128.7 | 140.7 | 146 | 19.8 | 0.4 | 0 | 0 | 0 | 114.1 | | |
| 41 | T | 48 | Very low | 45.9 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | | | trans | -67 | 144.9 | 179.3 | -50 | 0 | 0 | 0 | 0 | 114.2 | | |
| 42 | G | 48.9 | Very low | 45.7 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -173.1 | 105.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 43 | D | 43.5 | Very low | 46.1 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -62.7 | 146.8 | 178.3 | -106.2 | -37.3 | 0 | 0 | 0 | 114.7 | | |
| 44 | S | 49.4 | Very low | 46 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | 148.7 | 106.9 | 130.7 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 45 | T | 50.9 | Low | 46.1 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | | | trans | 45.4 | 122 | 131.2 | -8.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 46 | R | 49.1 | Very low | 45.8 | Very low | 235 Ų | 235 | 143.5 Ų | 143.5 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | 96.5 | 129.7 | 151 | -81.2 | -177.2 | 171.6 | 166.2 | -2.3 | 120 | | |
| 47 | P | 43.1 | Very low | 45.9 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | | | trans | -96.2 | 175.3 | 175.5 | 40.3 | -32.1 | 0 | 0 | 0 | 112.1 | | |
| 48 | D | 46.2 | Very low | 46.5 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | 95.9 | 109.4 | 168.1 | -49.1 | -30.3 | 0 | 0 | 0 | 116.2 | | |
| 49 | G | 45.9 | Very low | 46.6 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | 164.5 | 100.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 50 | H | 47.5 | Very low | 46.6 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | | | trans | -52.7 | 161.1 | 168.8 | -76.1 | -108.1 | 0 | 0 | 0 | 112.7 | | |
| 51 | A | 45.4 | Very low | 46.5 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | 98.5 | 102 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 52 | S | 40.7 | Very low | 46.5 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | | 28.5 | 100.8 | 127.2 | 49.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 53 | Q | 49.9 | Very low | 46.8 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -170.2 | 127.5 | 137.8 | -102.4 | 159.8 | 20 | 0 | 0 | 108.9 | P55 | Q53-P55 WeakPolarHBondContact O-CD 3.48Š|
| 54 | S | 40.9 | Very low | 46.5 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -55.1 | 135.4 | 170.6 | -50.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 55 | P | 45.8 | Very low | 46.4 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | | | | -148 | 162.7 | 111.8 | 29.2 | -8.8 | 0 | 0 | 0 | 110.4 | Q53 | Q53-P55 WeakPolarHBondContact O-CD 3.48Š|
| 56 | T | 44 | Very low | 46.1 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 58% | 0.583 | 80% | 0.795 | S | S | * | * | | | | 167.1 | 137.1 | 91.5 | -63.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 57 | Y | 45.6 | Very low | 46.1 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -46.2 | 159.2 | 175.6 | 48 | -93.8 | 0 | 0 | 0 | 114.8 | | |
| 58 | P | 49.8 | Very low | 46.4 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | | -140 | 133.3 | 115.4 | 27.5 | -8.8 | 0 | 0 | 0 | 115.1 | | |
| 59 | L | 47.7 | Very low | 46.3 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | | 54 | 101.5 | 128.5 | -65.3 | 154.6 | 0 | 0 | 0 | 118.8 | | |
| 60 | R | 46.5 | Very low | 46.4 | Very low | 238 Ų | 238 | 141.2 Ų | 141.2 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | trans | 23.6 | 110.8 | 134 | -60.4 | -174.7 | -178.1 | -164 | 0.9 | 116.9 | | |
| 61 | V | 47.9 | Very low | 45.9 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | | | trans | -135.4 | 118.6 | 139.7 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 62 | T | 47.3 | Very low | 45.8 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | | | trans | -59.8 | 129.4 | 174.2 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 63 | G | 56.4 | Low | 46.3 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | trans | -174.4 | 61 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 64 | I | 37.6 | Very low | 46.2 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | 16.5 | 131.5 | 145.9 | 28 | 172.5 | 0 | 0 | 0 | 119.9 | | |
| 65 | F | 46.4 | Very low | 46.3 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | 100.3 | 84.6 | 160.1 | -64.9 | -79.2 | 0 | 0 | 0 | 119.1 | | |
| 66 | T | 44.1 | Very low | 46.1 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | | | trans | -153.8 | 110.8 | 143.5 | -25.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 67 | S | 48.9 | Very low | 45.9 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | -112.7 | 106.4 | 176.6 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 68 | T | 50.2 | Low | 45.8 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 82% | 0.823 | S | S | * | * | | | trans | 45.6 | 103.9 | 130 | 50.9 | 0 | 0 | 0 | 0 | 122 | | |
| 69 | T | 42.9 | Very low | 45.6 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 83% | 0.83 | S | S | * | * | | | | 32.4 | 112.8 | 115.4 | -25.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 70 | I | 48.5 | Very low | 45.3 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | | | trans | -157 | 115.2 | 142.9 | 12.8 | 176.4 | 0 | 0 | 0 | 113.4 | | |
| 71 | S | 36.5 | Very low | 45.3 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | | | trans | 67.6 | 118 | 145.6 | -132 | 0 | 0 | 0 | 0 | 122.9 | | |
| 72 | P | 44.5 | Very low | 45.5 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | | | trans | -98.4 | 139.1 | 171.3 | 36.4 | -27.1 | 0 | 0 | 0 | 112.6 | | |
| 73 | G | 50.9 | Low | 45.1 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | 178.6 | 123.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 74 | G | 48.8 | Very low | 44.4 | Very low | 83 Ų | 83 | 141.8 Ų | 141.8 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | 120.6 | 79.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 75 | L | 41.6 | Very low | 44.8 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -54.2 | 142.1 | 169 | -64.1 | 152.3 | 0 | 0 | 0 | 112.6 | | |
| 76 | S | 41.7 | Very low | 44.9 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | | | | 140.1 | 121.8 | 99.8 | -169.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 77 | R | 39.2 | Very low | 45.1 | Very low | 237 Ų | 237 | 142.8 Ų | 142.8 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | | | | -157.2 | 133.3 | 59.9 | -76.1 | 174.1 | 157.1 | -130.3 | -5 | 109.4 | | |
| 78 | Q | 44.9 | Very low | 44.8 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -72.6 | 135 | 179.1 | -65.5 | 162.7 | -36.6 | 0 | 0 | 111.6 | | |
| 79 | C | 45.8 | Very low | 44.8 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 86% | 0.858 | 83% | 0.827 | S | S | * | * | | | trans | -154.9 | 108.5 | 142.2 | -147.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 80 | P | 40.6 | Very low | 44.8 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | | | trans | -87.5 | 130.5 | -168.3 | 32.6 | -30.7 | 0 | 0 | 0 | 111.5 | | |
| 81 | N | 47.1 | Very low | 45 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | | | trans | -135.7 | 98.4 | 157.8 | -164.1 | -1.9 | 0 | 0 | 0 | 109.4 | | |
| 82 | H | 50.8 | Low | 45.7 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 64% | 0.644 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 35.5 | 132.2 | 144.9 | -117.2 | -135.7 | 0 | 0 | 0 | 121 | | |
| 83 | Y | 40.3 | Very low | 46.2 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | 83.8 | 69.8 | 171.8 | -55.6 | -72.9 | 0 | 0 | 0 | 116.9 | | |
| 84 | A | 40.5 | Very low | 46.4 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -53.5 | 137.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 85 | I | 46.7 | Very low | 46.6 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | | -166.5 | 107.3 | 121.5 | -85.9 | 146.5 | 0 | 0 | 0 | 106.3 | A87 | I85-A87 HydrophobicContact CG2-CB 3.73Å; I85-A87 PolarHBondContact O-N 3.45Å |
| 86 | R | 48.3 | Very low | 46.8 | Very low | 259 Ų | 259 | 146 Ų | 146 | 98% | 0.977 | 76% | 0.764 | S | S | * | * | | | trans | -73.3 | 104.7 | 162.2 | -66.4 | -177.4 | 178.7 | -105.8 | 2.7 | 106.7 | | |
| 87 | A | 48.5 | Very low | 47.8 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | trans | -143.9 | 80 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | I85 | I85-A87 HydrophobicContact CG2-CB 3.73Å; I85-A87 PolarHBondContact O-N 3.45Å |
| 88 | G | 43.5 | Very low | 48.4 | Very low | 77 Ų | 77 | 147.3 Ų | 147.3 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | -130.9 | 33.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 89 | Q | 49.8 | Very low | 49.1 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -142.3 | 116.6 | 175.3 | -67.8 | -171.7 | -6.2 | 0 | 0 | 110.9 | | |
| 90 | N | 41.7 | Very low | 49.8 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | | | trans | 81.2 | 62.3 | 158 | -58.2 | -41 | 0 | 0 | 0 | 120.7 | | |
| 91 | L | 53.9 | Low | 50.9 | Low | 130 Ų | 130 | 143.6 Ų | 143.6 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | | | trans | -132.2 | 148.6 | 158.9 | -123.3 | 83.4 | 0 | 0 | 0 | 111 | F96 | L91-F96 HydrophobicContact CB-CE2 4.15Å; L91-F96 WeakPolarHBondContact O-CE2 3.46Å |
| 92 | P | 51.5 | Low | 51.7 | Low | 85 Ų | 85 | 140.4 Ų | 140.4 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | | | trans | -71.2 | 139.1 | -148 | 29.1 | -35.2 | 0 | 0 | 0 | 113.7 | K94 E95 | P92-K94 PolarHBondContact O-N 2.76Å; P92-E95 PolarHBondContact O-N 3.48Å |
| 93 | D | 53.2 | Low | 52.4 | Low | 129 Ų | 129 | 139.2 Ų | 139.2 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -1.7 | -171.4 | -46.2 | -43.8 | 0 | 0 | 0 | 116.7 | R97 | D93-R97 WeakPolarHBondContact O-CG 3.5Š|
| 94 | K | 55.4 | Low | 53.9 | Low | 172 Ų | 172 | 133.6 Ų | 133.6 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -34.4 | -171.7 | -152 | 160.1 | -173.5 | 173.1 | 0 | 113.1 | P92 | P92-K94 PolarHBondContact O-N 2.76Š|
| 95 | E | 54.1 | Low | 55 | Low | 145 Ų | 145 | 132.6 Ų | 132.6 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -87.6 | -28 | 179.2 | -59.7 | -156.8 | 141.7 | 0 | 0 | 112.5 | P92 R97 Y98 L99 | P92-E95 PolarHBondContact O-N 3.48Å; E95-R97 PolarHBondContact O-N 3.47Å; E95-Y98 PolarHBondContact O-N 3.11Å; E95-L99 PolarHBondContact O-N 2.78Å; E95-L99 VanDerWaalsContact O-N 3.11Å |
| 96 | F | 46 | Very low | 55.5 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 50% | 0.504 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -76.5 | -17.4 | 175.8 | -64.1 | -70.5 | 0 | 0 | 0 | 114.3 | L91 L99 R100 | L91-F96 HydrophobicContact CB-CE2 4.15Å; L91-F96 WeakPolarHBondContact O-CE2 3.46Å; F96-L99 HydrophobicContact CD1-CD1 4.13Å; F96-L99 HydrophobicContact CE1-CD1 4.4Å; F96-R100 VanDerWaalsContact O-CB 3.32Å; F96-R100 WeakPolarHBondContact O-CB 3.14Å; F96-R100 PolarHBondContact O-N 3.44Å |
| 97 | R | 62.8 | Low | 56.3 | Low | 187 Ų | 187 | 118 Ų | 118 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.5 | -43 | 171.1 | -77.9 | -179.3 | -170.8 | -162.8 | 3.3 | 111.3 | D93 E95 R100 T101 | D93-R97 WeakPolarHBondContact O-CG 3.5Å; E95-R97 PolarHBondContact O-N 3.47Å; R97-R100 PolarHBondContact O-N 2.68Å; R97-T101 PolarHBondContact O-N 3.28Å; R97-T101 PolarHBondContact O-OG1 2.72Å; R97-T101 VanDerWaalsContact O-OG1 3.11Å |
| 98 | Y | 51.3 | Low | 56.7 | Low | 182 Ų | 182 | 117.8 Ų | 117.8 | 71% | 0.714 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.8 | -41.6 | 172.8 | -86.5 | -83.3 | 0 | 0 | 0 | 111.2 | E95 T101 V102 | E95-Y98 PolarHBondContact O-N 3.11Å; Y98-T101 PolarHBondContact O-N 3.33Å; Y98-V102 WeakPolarHBondContact O-CB 3.37Å; Y98-V102 WeakPolarHBondContact O-CG2 3.38Å; Y98-V102 PolarHBondContact O-N 3.33Å |
| 99 | L | 58.5 | Low | 56.8 | Low | 87 Ų | 87 | 121.2 Ų | 121.2 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.3 | -36.4 | 173.8 | -68.3 | 172.5 | 0 | 0 | 0 | 112.8 | E95 F96 T101 V102 I103 | E95-L99 PolarHBondContact O-N 2.78Å; E95-L99 VanDerWaalsContact O-N 3.11Å; F96-L99 HydrophobicContact CD1-CD1 4.13Å; F96-L99 HydrophobicContact CE1-CD1 4.4Å; L99-T101 VanDerWaalsContact C-N 3.32Å; L99-T101 PolarHBondContact O-N 3.09Å; L99-V102 PolarHBondContact O-N 3.44Å; L99-I103 VanDerWaalsContact O-CB 3.23Å; L99-I103 WeakPolarHBondContact O-CB 3.07Å; L99-I103 WeakPolarHBondContact O-CD1 3.47Å; L99-I103 WeakPolarHBondContact O-CG1 3.16Å; L99-I103 PolarHBondContact O-N 2.7Å |
| 100 | R | 62.4 | Low | 57 | Low | 198 Ų | 198 | 122.3 Ų | 122.3 | 75% | 0.747 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.1 | -40.8 | 171.4 | -113.9 | -174.8 | -176.1 | -176.4 | 2.7 | 111 | F96 R97 V104 | F96-R100 VanDerWaalsContact O-CB 3.32Å; F96-R100 WeakPolarHBondContact O-CB 3.14Å; F96-R100 PolarHBondContact O-N 3.44Å; R97-R100 PolarHBondContact O-N 2.68Å; R100-V104 WeakPolarHBondContact O-CA 3.4Å; R100-V104 WeakPolarHBondContact O-CB 3.05Å; R100-V104 WeakPolarHBondContact O-CG2 3.09Å; R100-V104 PolarHBondContact O-N 2.73Å |
| 101 | T | 62.8 | Low | 57.2 | Low | 85 Ų | 85 | 116.2 Ų | 116.2 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.7 | -33 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 112.6 | R97 Y98 L99 T105 | R97-T101 PolarHBondContact O-N 3.28Å; R97-T101 PolarHBondContact O-OG1 2.72Å; R97-T101 VanDerWaalsContact O-OG1 3.11Å; Y98-T101 PolarHBondContact O-N 3.33Å; L99-T101 VanDerWaalsContact C-N 3.32Å; L99-T101 PolarHBondContact O-N 3.09Å; T101-T105 WeakPolarHBondContact O-CA 3.23Å; T101-T105 WeakPolarHBondContact O-CB 3.32Å; T101-T105 PolarHBondContact O-N 2.72Å; T101-T105 PolarHBondContact O-OG1 2.66Å |
| 102 | V | 64.1 | Low | 56.8 | Low | 88 Ų | 88 | 113.7 Ų | 113.7 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.6 | -39.5 | 172.6 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | Y98 L99 A106 | Y98-V102 WeakPolarHBondContact O-CB 3.37Å; Y98-V102 WeakPolarHBondContact O-CG2 3.38Å; Y98-V102 PolarHBondContact O-N 3.33Å; L99-V102 PolarHBondContact O-N 3.44Å; V102-A106 WeakPolarHBondContact O-CA 3.46Å; V102-A106 WeakPolarHBondContact O-CB 3.22Å; V102-A106 PolarHBondContact O-N 2.71Å |
| 103 | I | 66.1 | Low | 56.5 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 59% | 0.585 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.1 | -40.9 | 173.2 | -67.7 | 165.6 | 0 | 0 | 0 | 110.5 | L99 A106 A107 | L99-I103 VanDerWaalsContact O-CB 3.23Å; L99-I103 WeakPolarHBondContact O-CB 3.07Å; L99-I103 WeakPolarHBondContact O-CD1 3.47Å; L99-I103 WeakPolarHBondContact O-CG1 3.16Å; L99-I103 PolarHBondContact O-N 2.7Å; I103-A106 CarbonylContact O-C 2.93Å; I103-A106 PolarHBondContact O-N 2.65Å; I103-A107 WeakPolarHBondContact O-CA 3.4Å; I103-A107 WeakPolarHBondContact O-CB 3.12Å; I103-A107 PolarHBondContact O-N 3.25Å |
| 104 | V | 70.5 | Confident | 56.1 | Low | 83 Ų | 83 | 111.1 Ų | 111.1 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 175 | 164.2 | 0 | 0 | 0 | 0 | 110 | R100 A107 V108 | R100-V104 WeakPolarHBondContact O-CA 3.4Å; R100-V104 WeakPolarHBondContact O-CB 3.05Å; R100-V104 WeakPolarHBondContact O-CG2 3.09Å; R100-V104 PolarHBondContact O-N 2.73Å; V104-A107 CarbonylContact O-C 3.04Å; V104-A107 PolarHBondContact O-N 3.11Å; V104-V108 HydrophobicContact CG1-CG2 4.24Å; V104-V108 VanDerWaalsContact O-CB 3.24Å; V104-V108 WeakPolarHBondContact O-CB 3.41Å; V104-V108 WeakPolarHBondContact O-CG2 3.48Å; V104-V108 PolarHBondContact O-N 2.98Å |
| 105 | T | 64.8 | Low | 55.5 | Low | 70 Ų | 70 | 109.7 Ų | 109.7 | 43% | 0.429 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | T101 A107 V108 Y109 | T101-T105 WeakPolarHBondContact O-CA 3.23Å; T101-T105 WeakPolarHBondContact O-CB 3.32Å; T101-T105 PolarHBondContact O-N 2.72Å; T101-T105 PolarHBondContact O-OG1 2.66Å; T105-A107 VanDerWaalsContact C-N 3.32Å; T105-V108 CarbonylContact O-C 3.59Å; T105-V108 PolarHBondContact O-N 3.22Å; T105-Y109 HydrophobicContact CG2-CD2 4.09Å; T105-Y109 VanDerWaalsContact O-CB 3.23Å; T105-Y109 WeakPolarHBondContact O-CB 3.13Å; T105-Y109 PolarHBondContact O-N 3.44Å |
| 106 | A | 57.1 | Low | 55 | Low | 52 Ų | 52 | 106.6 Ų | 106.6 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.5 | -26.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V102 I103 R110 | V102-A106 WeakPolarHBondContact O-CA 3.46Å; V102-A106 WeakPolarHBondContact O-CB 3.22Å; V102-A106 PolarHBondContact O-N 2.71Å; I103-A106 CarbonylContact O-C 2.93Å; I103-A106 PolarHBondContact O-N 2.65Å; A106-R110 WeakPolarHBondContact O-CA 3.47Å; A106-R110 WeakPolarHBondContact O-CB 3.37Å; A106-R110 PolarHBondContact O-N 2.78Å |
| 107 | A | 63.6 | Low | 55 | Low | 55 Ų | 55 | 109.2 Ų | 109.2 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -80.4 | -35.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I103 V104 T105 R110 G111 | I103-A107 WeakPolarHBondContact O-CA 3.4Å; I103-A107 WeakPolarHBondContact O-CB 3.12Å; I103-A107 PolarHBondContact O-N 3.25Å; V104-A107 CarbonylContact O-C 3.04Å; V104-A107 PolarHBondContact O-N 3.11Å; T105-A107 VanDerWaalsContact C-N 3.32Å; A107-R110 CarbonylContact O-C 3.48Å; A107-R110 PolarHBondContact O-N 2.96Å; A107-G111 WeakPolarHBondContact O-CA 3.24Å; A107-G111 PolarHBondContact O-N 2.82Å |
| 108 | V | 57.3 | Low | 53.9 | Low | 87 Ų | 87 | 105.2 Ų | 105.2 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.8 | -35.8 | 170.6 | 171.2 | 0 | 0 | 0 | 0 | 109.7 | V104 T105 G111 L112 | V104-V108 HydrophobicContact CG1-CG2 4.24Å; V104-V108 VanDerWaalsContact O-CB 3.24Å; V104-V108 WeakPolarHBondContact O-CB 3.41Å; V104-V108 WeakPolarHBondContact O-CG2 3.48Å; V104-V108 PolarHBondContact O-N 2.98Å; T105-V108 CarbonylContact O-C 3.59Å; T105-V108 PolarHBondContact O-N 3.22Å; V108-G111 CarbonylContact O-C 3.37Å; V108-G111 WeakPolarHBondContact O-CA 3.29Å; V108-G111 PolarHBondContact O-N 3.15Å; V108-L112 WeakPolarHBondContact O-CG 3.06Å; V108-L112 PolarHBondContact O-N 2.95Å |
| 109 | Y | 45.6 | Very low | 53.6 | Low | 148 Ų | 148 | 102.6 Ų | 102.6 | 58% | 0.58 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72 | -34.7 | 167.8 | -103 | -95.7 | 0 | 0 | 0 | 112.2 | T105 G111 L112 N113 | T105-Y109 HydrophobicContact CG2-CD2 4.09Å; T105-Y109 VanDerWaalsContact O-CB 3.23Å; T105-Y109 WeakPolarHBondContact O-CB 3.13Å; T105-Y109 PolarHBondContact O-N 3.44Å; Y109-G111 PolarHBondContact O-N 3.11Å; Y109-L112 HydrophobicContact CD2-CD1 4.45Å; Y109-L112 HydrophobicContact CG-CD1 4.44Å; Y109-L112 CarbonylContact O-C 3.54Å; Y109-L112 PolarHBondContact O-N 2.81Å; Y109-N113 PolarHBondContact O-N 3.2Å |
| 110 | R | 54.3 | Low | 52.6 | Low | 202 Ų | 202 | 102.6 Ų | 102.6 | 76% | 0.762 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -28.7 | 165.6 | -104.6 | -178.6 | 165.7 | -156.9 | -2 | 111.5 | A106 A107 N113 S114 | A106-R110 WeakPolarHBondContact O-CA 3.47Å; A106-R110 WeakPolarHBondContact O-CB 3.37Å; A106-R110 PolarHBondContact O-N 2.78Å; A107-R110 CarbonylContact O-C 3.48Å; A107-R110 PolarHBondContact O-N 2.96Å; R110-N113 CarbonylContact O-C 3.58Å; R110-N113 VanDerWaalsContact O-CA 3.31Å; R110-N113 WeakPolarHBondContact O-CA 3.41Å; R110-N113 WeakPolarHBondContact O-CB 3.47Å; R110-N113 PolarHBondContact O-N 3.4Å; R110-S114 PolarHBondContact O-N 2.8Å; R110-S114 VanDerWaalsContact O-N 3.09Å |
| 111 | G | 46.5 | Very low | 51.3 | Low | 26 Ų | 26 | 97.3 Ų | 97.3 | 27% | 0.268 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -79.3 | -30.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A107 V108 Y109 S114 M115 | A107-G111 WeakPolarHBondContact O-CA 3.24Å; A107-G111 PolarHBondContact O-N 2.82Å; V108-G111 CarbonylContact O-C 3.37Å; V108-G111 WeakPolarHBondContact O-CA 3.29Å; V108-G111 PolarHBondContact O-N 3.15Å; Y109-G111 PolarHBondContact O-N 3.11Å; G111-S114 WeakPolarHBondContact CA-OG 3.02Å; G111-S114 CarbonylContact O-C 3.43Å; G111-S114 VanDerWaalsContact O-CA 3.25Å; G111-S114 WeakPolarHBondContact O-CA 3.49Å; G111-S114 WeakPolarHBondContact O-CB 3.45Å; G111-S114 PolarHBondContact O-N 3.49Å; G111-S114 PolarHBondContact O-OG 3.17Å; G111-M115 PolarHBondContact O-N 3.43Å |
| 112 | L | 44.6 | Very low | 50 | Low | 78 Ų | 78 | 98.2 Ų | 98.2 | 41% | 0.408 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.8 | -26.3 | 162 | -72.6 | 169.4 | 0 | 0 | 0 | 110.4 | V108 Y109 S114 M115 L116 | V108-L112 WeakPolarHBondContact O-CG 3.06Å; V108-L112 PolarHBondContact O-N 2.95Å; Y109-L112 HydrophobicContact CD2-CD1 4.45Å; Y109-L112 HydrophobicContact CG-CD1 4.44Å; Y109-L112 CarbonylContact O-C 3.54Å; Y109-L112 PolarHBondContact O-N 2.81Å; L112-S114 PolarHBondContact O-N 3.39Å; L112-M115 PolarHBondContact O-N 2.85Å; L112-L116 WeakPolarHBondContact O-CA 3.2Å; L112-L116 WeakPolarHBondContact O-CB 3.45Å; L112-L116 WeakPolarHBondContact O-CG 3.04Å; L112-L116 PolarHBondContact O-N 2.89Å |
| 113 | N | 45.9 | Very low | 48.9 | Very low | 88 Ų | 88 | 101.8 Ų | 101.8 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.5 | -19.4 | 163.5 | -136.9 | -14.5 | 0 | 0 | 0 | 111.7 | Y109 R110 L116 R117 | Y109-N113 PolarHBondContact O-N 3.2Å; R110-N113 CarbonylContact O-C 3.58Å; R110-N113 VanDerWaalsContact O-CA 3.31Å; R110-N113 WeakPolarHBondContact O-CA 3.41Å; R110-N113 WeakPolarHBondContact O-CB 3.47Å; R110-N113 PolarHBondContact O-N 3.4Å; N113-L116 CarbonylContact O-C 3.4Å; N113-R117 WeakPolarHBondContact O-CA 3.31Å; N113-R117 WeakPolarHBondContact O-CB 3.35Å; N113-R117 WeakPolarHBondContact O-CD 3.41Å; N113-R117 WeakPolarHBondContact O-CG 3.25Å; N113-R117 PolarHBondContact O-N 3.46Å |
| 114 | S | 45.6 | Very low | 47.5 | Very low | 71 Ų | 71 | 103.4 Ų | 103.4 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -85.8 | -31.4 | 170.1 | 71 | 0 | 0 | 0 | 0 | 113.9 | R110 G111 L112 R117 C118 | R110-S114 PolarHBondContact O-N 2.8Å; R110-S114 VanDerWaalsContact O-N 3.09Å; G111-S114 WeakPolarHBondContact CA-OG 3.02Å; G111-S114 CarbonylContact O-C 3.43Å; G111-S114 VanDerWaalsContact O-CA 3.25Å; G111-S114 WeakPolarHBondContact O-CA 3.49Å; G111-S114 WeakPolarHBondContact O-CB 3.45Å; G111-S114 PolarHBondContact O-N 3.49Å; G111-S114 PolarHBondContact O-OG 3.17Å; L112-S114 PolarHBondContact O-N 3.39Å; S114-R117 WeakPolarHBondContact O-CA 3.23Å; S114-R117 WeakPolarHBondContact O-CB 3.37Å; S114-R117 PolarHBondContact O-N 2.87Å; S114-R117 VanDerWaalsContact O-N 3.15Å; S114-C118 PolarHBondContact O-N 2.69Å; S114-C118 VanDerWaalsContact O-N 3.17Å |
| 115 | M | 42.8 | Very low | 46.3 | Very low | 142 Ų | 142 | 105.9 Ų | 105.9 | 70% | 0.7 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -76.2 | -32.6 | 169.6 | -155.7 | 163.8 | -166.6 | 0 | 0 | 111.4 | G111 L112 R117 C118 | G111-M115 PolarHBondContact O-N 3.43Å; L112-M115 PolarHBondContact O-N 2.85Å; M115-R117 VanDerWaalsContact C-N 3.33Å; M115-C118 WeakPolarHBondContact O-CB 3.38Å; M115-C118 PolarHBondContact O-N 2.69Å |
| 116 | L | 43.7 | Very low | 45.4 | Very low | 80 Ų | 80 | 108.1 Ų | 108.1 | 42% | 0.419 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.4 | -20.5 | 162.3 | -74.2 | 164.1 | 0 | 0 | 0 | 112 | L112 N113 C118 L119 T120 | L112-L116 WeakPolarHBondContact O-CA 3.2Å; L112-L116 WeakPolarHBondContact O-CB 3.45Å; L112-L116 WeakPolarHBondContact O-CG 3.04Å; L112-L116 PolarHBondContact O-N 2.89Å; N113-L116 CarbonylContact O-C 3.4Å; L116-C118 VanDerWaalsContact C-N 3.3Å; L116-L119 HydrophobicContact CD2-CB 4.33Å; L116-L119 HydrophobicContact CD2-CD1 3.79Å; L116-L119 CarbonylContact O-C 3.44Å; L116-L119 WeakPolarHBondContact O-CA 3.18Å; L116-L119 WeakPolarHBondContact O-CB 3.08Å; L116-L119 PolarHBondContact O-N 2.59Å; L116-T120 WeakPolarHBondContact O-CG2 3.07Å; L116-T120 PolarHBondContact O-N 3.2Å |
| 117 | R | 44.4 | Very low | 44.3 | Very low | 170 Ų | 170 | 110.4 Ų | 110.4 | 64% | 0.642 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.8 | -17.4 | 169 | -86.2 | 161.2 | 171.6 | -137.3 | -3.1 | 113 | N113 S114 M115 L119 T120 S121 | N113-R117 WeakPolarHBondContact O-CA 3.31Å; N113-R117 WeakPolarHBondContact O-CB 3.35Å; N113-R117 WeakPolarHBondContact O-CD 3.41Å; N113-R117 WeakPolarHBondContact O-CG 3.25Å; N113-R117 PolarHBondContact O-N 3.46Å; S114-R117 WeakPolarHBondContact O-CA 3.23Å; S114-R117 WeakPolarHBondContact O-CB 3.37Å; S114-R117 PolarHBondContact O-N 2.87Å; S114-R117 VanDerWaalsContact O-N 3.15Å; M115-R117 VanDerWaalsContact C-N 3.33Å; R117-L119 VanDerWaalsContact C-N 3.3Å; R117-T120 VanDerWaalsContact CA-OG1 3.29Å; R117-T120 WeakPolarHBondContact CA-OG1 3.41Å; R117-T120 WeakPolarHBondContact CG-OG1 3.5Å; R117-T120 CarbonylContact O-C 3.59Å; R117-T120 WeakPolarHBondContact O-CA 3.22Å; R117-T120 PolarHBondContact O-N 2.71Å; R117-T120 VanDerWaalsContact O-N 3.11Å; R117-T120 PolarHBondContact O-OG1 3.3Å; R117-S121 PolarHBondContact O-N 3.34Å |
| 118 | C | 39.4 | Very low | 43.7 | Very low | 103 Ų | 103 | 112.9 Ų | 112.9 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.2 | -29.4 | 158.7 | -84.5 | 0 | 0 | 0 | 0 | 111.5 | S114 M115 L116 | S114-C118 PolarHBondContact O-N 2.69Å; S114-C118 VanDerWaalsContact O-N 3.17Å; M115-C118 WeakPolarHBondContact O-CB 3.38Å; M115-C118 PolarHBondContact O-N 2.69Å; L116-C118 VanDerWaalsContact C-N 3.3Å |
| 119 | L | 45.9 | Very low | 43.1 | Very low | 128 Ų | 128 | 112.7 Ų | 112.7 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 6.1 | 163 | -75.3 | 153.9 | 0 | 0 | 0 | 113.6 | L116 R117 | L116-L119 HydrophobicContact CD2-CB 4.33Å; L116-L119 HydrophobicContact CD2-CD1 3.79Å; L116-L119 CarbonylContact O-C 3.44Å; L116-L119 WeakPolarHBondContact O-CA 3.18Å; L116-L119 WeakPolarHBondContact O-CB 3.08Å; L116-L119 PolarHBondContact O-N 2.59Å; R117-L119 VanDerWaalsContact C-N 3.3Å |
| 120 | T | 38.1 | Very low | 43.1 | Very low | 87 Ų | 87 | 116.9 Ų | 116.9 | 53% | 0.534 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128.1 | 44.1 | 163.2 | 81.6 | 0 | 0 | 0 | 0 | 110.2 | L116 R117 | L116-T120 WeakPolarHBondContact O-CG2 3.07Å; L116-T120 PolarHBondContact O-N 3.2Å; R117-T120 VanDerWaalsContact CA-OG1 3.29Å; R117-T120 WeakPolarHBondContact CA-OG1 3.41Å; R117-T120 WeakPolarHBondContact CG-OG1 3.5Å; R117-T120 CarbonylContact O-C 3.59Å; R117-T120 WeakPolarHBondContact O-CA 3.22Å; R117-T120 PolarHBondContact O-N 2.71Å; R117-T120 VanDerWaalsContact O-N 3.11Å; R117-T120 PolarHBondContact O-OG1 3.3Å |
| 121 | S | 34.6 | Very low | 42.4 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -61.1 | 137.9 | 149.7 | -65.4 | 0 | 0 | 0 | 0 | 106.7 | R117 L123 | R117-S121 PolarHBondContact O-N 3.34Å; S121-L123 PolarHBondContact O-N 3.22Å |
| 122 | P | 35.8 | Very low | 42.3 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | | | trans | -53.8 | 118 | -167.2 | 22.7 | -32.4 | 0 | 0 | 0 | 109.6 | N124 | P122-N124 VanDerWaalsContact C-N 3.29Å; P122-N124 PolarHBondContact O-N 2.83Å |
| 123 | L | 41.3 | Very low | 42.6 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | | | trans | -2.9 | 88.1 | 131.4 | -84.3 | 153.2 | 0 | 0 | 0 | 111.9 | S121 | S121-L123 PolarHBondContact O-N 3.22Š|
| 124 | N | 36.7 | Very low | 42.8 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | | | trans | -126 | 27.5 | 152.9 | -90.9 | -55.2 | 0 | 0 | 0 | 109.4 | P122 | P122-N124 VanDerWaalsContact C-N 3.29Å; P122-N124 PolarHBondContact O-N 2.83Å |
| 125 | L | 44.6 | Very low | 42.8 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -93.4 | 117 | 173.4 | -70.9 | 170.2 | 0 | 0 | 0 | 108.3 | A127 | L125-A127 PolarHBondContact O-N 3.36Š|
| 126 | P | 45.8 | Very low | 42.7 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | | | trans | -58.3 | 132.4 | 175.3 | 24.4 | -30.9 | 0 | 0 | 0 | 108.7 | P128 | P126-P128 VanDerWaalsContact O-CD 3.23Å; P126-P128 WeakPolarHBondContact O-CD 3.23Å; P126-P128 VanDerWaalsContact O-N 3.14Å |
| 127 | A | 34 | Very low | 43.1 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | | | trans | -33 | 107 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L125 G129 | L125-A127 PolarHBondContact O-N 3.36Å; A127-G129 PolarHBondContact O-N 3.48Å |
| 128 | P | 50.4 | Low | 43.1 | Very low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | | | trans | -84.9 | 95.8 | 168.3 | -3.5 | 22.8 | 0 | 0 | 0 | 108.3 | P126 R130 | P126-P128 VanDerWaalsContact O-CD 3.23Å; P126-P128 WeakPolarHBondContact O-CD 3.23Å; P126-P128 VanDerWaalsContact O-N 3.14Å; P128-R130 PolarHBondContact O-N 3.41Å |
| 129 | G | 45.7 | Very low | 44.2 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | | | trans | -68.6 | 45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A127 | A127-G129 PolarHBondContact O-N 3.48Š|
| 130 | R | 44.3 | Very low | 44.4 | Very low | 237 Ų | 237 | 131.4 Ų | 131.4 | 89% | 0.894 | 70% | 0.695 | S | S | * | * | | | trans | -146.1 | 116 | 172.2 | -90 | -164.1 | 166 | 179.3 | -3.9 | 112.8 | P128 | P128-R130 PolarHBondContact O-N 3.41Š|
| 131 | R | 39.7 | Very low | 45.2 | Very low | 244 Ų | 244 | 130.5 Ų | 130.5 | 92% | 0.921 | 69% | 0.692 | S | S | * | * | | | trans | -69.9 | 126.1 | 174.6 | -61.4 | 173.2 | 172.1 | 174.7 | -3.5 | 110 | | |
| 132 | Q | 45.6 | Very low | 46.3 | Very low | 188 Ų | 188 | 131 Ų | 131 | 88% | 0.879 | 69% | 0.687 | S | S | * | * | | | trans | 152.8 | 147.4 | 150 | -85.9 | 167.1 | 23.3 | 0 | 0 | 111.6 | | |
| 133 | P | 49.9 | Very low | 47 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 58% | 0.578 | 68% | 0.677 | S | S | * | * | | | cis | -139.6 | 151.5 | -49 | 32.7 | -13.1 | 0 | 0 | 0 | 113.4 | Y135 | P133-Y135 PolarHBondContact O-N 3.16Š|
| 134 | I | 50.7 | Low | 47.7 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 5 | 174.4 | -65.2 | 157.4 | 0 | 0 | 0 | 113.1 | V136 F138 | I134-V136 VanDerWaalsContact C-N 3.34Å; I134-V136 PolarHBondContact O-N 3.01Å; I134-F138 PolarHBondContact O-N 3.11Å |
| 135 | Y | 44.7 | Very low | 48.5 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 53% | 0.529 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.7 | -31.5 | -175.5 | -168.7 | -109.8 | 0 | 0 | 0 | 113.7 | P133 F138 R139 | P133-Y135 PolarHBondContact O-N 3.16Å; Y135-F138 PolarHBondContact O-N 3.42Å; Y135-R139 HydrophobicContact CD1-CG 4.01Å; Y135-R139 VanDerWaalsContact CE1-CD 3.47Å; Y135-R139 HydrophobicContact CE1-CG 3.71Å; Y135-R139 HydrophobicContact CE2-CG 4.42Å; Y135-R139 HydrophobicContact CG-CG 4.5Å; Y135-R139 WeakPolarHBondContact O-CB 3.27Å; Y135-R139 WeakPolarHBondContact O-CG 3.41Å; Y135-R139 PolarHBondContact O-N 3.37Å; Y135-R139 VanDerWaalsContact OH-CZ 3.29Å; Y135-R139 PolarHBondContact OH-NE 3.05Å; Y135-R139 PolarHBondContact OH-NH2 2.84Å |
| 136 | V | 41.6 | Very low | 48.5 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.3 | -42.9 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | I134 F138 R139 F140 | I134-V136 VanDerWaalsContact C-N 3.34Å; I134-V136 PolarHBondContact O-N 3.01Å; V136-F138 VanDerWaalsContact C-N 3.34Å; V136-R139 PolarHBondContact O-N 2.93Å; V136-F140 PolarHBondContact O-N 3.23Å |
| 137 | I | 50.9 | Low | 48.7 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 54% | 0.544 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 179 | -57.8 | 171.6 | 0 | 0 | 0 | 110 | F140 S141 | I137-F140 PolarHBondContact O-N 3.45Å; I137-S141 PolarHBondContact O-N 2.89Å; I137-S141 VanDerWaalsContact O-N 3.16Å |
| 138 | F | 46.3 | Very low | 49.2 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 59% | 0.592 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.5 | -40.3 | 178.8 | -134.5 | -85.6 | 0 | 0 | 0 | 112.3 | I134 Y135 V136 S141 I142 | I134-F138 PolarHBondContact O-N 3.11Å; Y135-F138 PolarHBondContact O-N 3.42Å; V136-F138 VanDerWaalsContact C-N 3.34Å; F138-S141 PolarHBondContact O-N 3.03Å; F138-I142 HydrophobicContact CD1-CD1 4.01Å; F138-I142 HydrophobicContact CD1-CG1 4.41Å; F138-I142 WeakPolarHBondContact O-CG1 3.46Å; F138-I142 PolarHBondContact O-N 3.02Å |
| 139 | R | 61.5 | Low | 49.1 | Very low | 128 Ų | 128 | 122 Ų | 122 | 48% | 0.483 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.2 | -45.8 | 173.2 | -83.2 | -146.4 | 162.4 | -149.2 | 0.9 | 112 | Y135 V136 S141 I142 D143 | Y135-R139 HydrophobicContact CD1-CG 4.01Å; Y135-R139 VanDerWaalsContact CE1-CD 3.47Å; Y135-R139 HydrophobicContact CE1-CG 3.71Å; Y135-R139 HydrophobicContact CE2-CG 4.42Å; Y135-R139 HydrophobicContact CG-CG 4.5Å; Y135-R139 WeakPolarHBondContact O-CB 3.27Å; Y135-R139 WeakPolarHBondContact O-CG 3.41Å; Y135-R139 PolarHBondContact O-N 3.37Å; Y135-R139 VanDerWaalsContact OH-CZ 3.29Å; Y135-R139 PolarHBondContact OH-NE 3.05Å; Y135-R139 PolarHBondContact OH-NH2 2.84Å; V136-R139 PolarHBondContact O-N 2.93Å; R139-S141 PolarHBondContact O-N 3.47Å; R139-I142 PolarHBondContact O-N 3.45Å; R139-D143 WeakPolarHBondContact O-CB 3.43Å; R139-D143 VanDerWaalsContact O-CG 3.31Å; R139-D143 PolarHBondContact O-N 3.01Å; R139-D143 VanDerWaalsContact O-OD2 3.06Å |
| 140 | F | 49.4 | Very low | 49.3 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 58% | 0.575 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -54.1 | -41.6 | 174.5 | -117.3 | -88.8 | 0 | 0 | 0 | 111.9 | V136 I137 L144 | V136-F140 PolarHBondContact O-N 3.23Å; I137-F140 PolarHBondContact O-N 3.45Å; F140-L144 WeakPolarHBondContact O-CB 3.39Å; F140-L144 PolarHBondContact O-N 3.33Å |
| 141 | S | 55.4 | Low | 49.6 | Very low | 69 Ų | 69 | 117.2 Ų | 117.2 | 48% | 0.483 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.6 | -35.1 | 177.2 | -170.5 | 0 | 0 | 0 | 0 | 113.5 | I137 F138 R139 C145 | I137-S141 PolarHBondContact O-N 2.89Å; I137-S141 VanDerWaalsContact O-N 3.16Å; F138-S141 PolarHBondContact O-N 3.03Å; R139-S141 PolarHBondContact O-N 3.47Å; S141-C145 VanDerWaalsContact O-CB 3.27Å; S141-C145 WeakPolarHBondContact O-CB 3.48Å; S141-C145 PolarHBondContact O-N 3.23Å |
| 142 | I | 57.9 | Low | 49.7 | Very low | 96 Ų | 96 | 111.9 Ų | 111.9 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.4 | -46.6 | 177.7 | -67.3 | 167 | 0 | 0 | 0 | 110.4 | F138 R139 L144 C145 F146 | F138-I142 HydrophobicContact CD1-CD1 4.01Å; F138-I142 HydrophobicContact CD1-CG1 4.41Å; F138-I142 WeakPolarHBondContact O-CG1 3.46Å; F138-I142 PolarHBondContact O-N 3.02Å; R139-I142 PolarHBondContact O-N 3.45Å; I142-L144 VanDerWaalsContact C-N 3.32Å; I142-L144 PolarHBondContact O-N 3.13Å; I142-C145 WeakPolarHBondContact O-CB 3.22Å; I142-C145 PolarHBondContact O-N 3.27Å; I142-C145 VanDerWaalsContact O-N 3.13Å; I142-F146 PolarHBondContact O-N 3.37Å |
| 143 | D | 50.6 | Low | 49.3 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 46% | 0.46 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.4 | -42.3 | 179.8 | -66.8 | -41.4 | 0 | 0 | 0 | 110.3 | R139 F146 C147 | R139-D143 WeakPolarHBondContact O-CB 3.43Å; R139-D143 VanDerWaalsContact O-CG 3.31Å; R139-D143 PolarHBondContact O-N 3.01Å; R139-D143 VanDerWaalsContact O-OD2 3.06Å; D143-F146 PolarHBondContact O-N 3.08Å; D143-C147 WeakPolarHBondContact O-CB 3.39Å; D143-C147 PolarHBondContact O-N 3.32Å; D143-C147 PolarHBondContact O-SG 2.9Å |
| 144 | L | 55.2 | Low | 48.6 | Very low | 94 Ų | 94 | 109.3 Ų | 109.3 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.5 | -42.6 | 173.2 | -146.5 | 72.6 | 0 | 0 | 0 | 111 | F140 I142 F146 C147 Y148 | F140-L144 WeakPolarHBondContact O-CB 3.39Å; F140-L144 PolarHBondContact O-N 3.33Å; I142-L144 VanDerWaalsContact C-N 3.32Å; I142-L144 PolarHBondContact O-N 3.13Å; L144-F146 VanDerWaalsContact C-N 3.29Å; L144-F146 PolarHBondContact O-N 3.03Å; L144-C147 PolarHBondContact O-N 3.21Å; L144-Y148 HydrophobicContact CD1-CD2 4.49Å; L144-Y148 HydrophobicContact CD1-CE2 3.84Å; L144-Y148 HydrophobicContact CD2-CE2 4.31Å; L144-Y148 HydrophobicContact CG-CD2 4Å; L144-Y148 HydrophobicContact CG-CE2 3.6Å; L144-Y148 WeakPolarHBondContact O-CD2 3.45Å; L144-Y148 PolarHBondContact O-N 3.41Å; L144-Y148 VanDerWaalsContact O-N 3.08Å |
| 145 | C | 53.2 | Low | 47.7 | Very low | 92 Ų | 92 | 108.4 Ų | 108.4 | 62% | 0.622 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.4 | -37.7 | 175.9 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | S141 I142 G149 | S141-C145 VanDerWaalsContact O-CB 3.27Å; S141-C145 WeakPolarHBondContact O-CB 3.48Å; S141-C145 PolarHBondContact O-N 3.23Å; I142-C145 WeakPolarHBondContact O-CB 3.22Å; I142-C145 PolarHBondContact O-N 3.27Å; I142-C145 VanDerWaalsContact O-N 3.13Å; C145-G149 PolarHBondContact O-N 2.95Å |
| 146 | F | 44.8 | Very low | 47.2 | Very low | 150 Ų | 150 | 110.1 Ų | 110.1 | 66% | 0.658 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.2 | -42.3 | 178.9 | -166.1 | -99 | 0 | 0 | 0 | 112 | I142 D143 L144 Y148 G149 V150 | I142-F146 PolarHBondContact O-N 3.37Å; D143-F146 PolarHBondContact O-N 3.08Å; L144-F146 VanDerWaalsContact C-N 3.29Å; L144-F146 PolarHBondContact O-N 3.03Å; F146-Y148 VanDerWaalsContact C-N 3.29Å; F146-Y148 PolarHBondContact O-N 3.39Å; F146-G149 PolarHBondContact O-N 3.38Å; F146-V150 HydrophobicContact CD1-CG1 4.34Å; F146-V150 HydrophobicContact CE1-CG1 4.05Å; F146-V150 HydrophobicContact CZ-CG1 4.28Å; F146-V150 WeakPolarHBondContact O-CG1 3.45Å; F146-V150 WeakPolarHBondContact O-CG2 3.06Å; F146-V150 PolarHBondContact O-N 3.12Å; F146-V150 VanDerWaalsContact O-N 3.12Å |
| 147 | C | 50 | Low | 47 | Very low | 60 Ų | 60 | 111.4 Ų | 111.4 | 41% | 0.405 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.2 | -30.3 | 177.7 | -71.1 | 0 | 0 | 0 | 0 | 113.6 | D143 L144 V150 N151 | D143-C147 WeakPolarHBondContact O-CB 3.39Å; D143-C147 PolarHBondContact O-N 3.32Å; D143-C147 PolarHBondContact O-SG 2.9Å; L144-C147 PolarHBondContact O-N 3.21Å; C147-V150 WeakPolarHBondContact O-CG2 3.48Å; C147-N151 PolarHBondContact O-ND2 3.04Å |
| 148 | Y | 44.9 | Very low | 46.5 | Very low | 150 Ų | 150 | 112.3 Ų | 112.3 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.6 | -34.1 | 173.9 | -77.3 | -106.5 | 0 | 0 | 0 | 111.2 | L144 F146 V150 N151 L152 | L144-Y148 HydrophobicContact CD1-CD2 4.49Å; L144-Y148 HydrophobicContact CD1-CE2 3.84Å; L144-Y148 HydrophobicContact CD2-CE2 4.31Å; L144-Y148 HydrophobicContact CG-CD2 4Å; L144-Y148 HydrophobicContact CG-CE2 3.6Å; L144-Y148 WeakPolarHBondContact O-CD2 3.45Å; L144-Y148 PolarHBondContact O-N 3.41Å; L144-Y148 VanDerWaalsContact O-N 3.08Å; F146-Y148 VanDerWaalsContact C-N 3.29Å; F146-Y148 PolarHBondContact O-N 3.39Å; Y148-V150 VanDerWaalsContact C-N 3.34Å; Y148-V150 PolarHBondContact O-N 2.86Å; Y148-N151 PolarHBondContact O-N 2.89Å; Y148-L152 WeakPolarHBondContact O-CD1 3.49Å |
| 149 | G | 49.2 | Very low | 45.8 | Very low | 54 Ų | 54 | 113.3 Ų | 113.3 | 56% | 0.557 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.4 | -29 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | C145 F146 | C145-G149 PolarHBondContact O-N 2.95Å; F146-G149 PolarHBondContact O-N 3.38Å |
| 150 | V | 49.6 | Very low | 44.8 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 58% | 0.576 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -9.1 | 179 | -61.1 | 0 | 0 | 0 | 0 | 114.5 | F146 C147 Y148 | F146-V150 HydrophobicContact CD1-CG1 4.34Å; F146-V150 HydrophobicContact CE1-CG1 4.05Å; F146-V150 HydrophobicContact CZ-CG1 4.28Å; F146-V150 WeakPolarHBondContact O-CG1 3.45Å; F146-V150 WeakPolarHBondContact O-CG2 3.06Å; F146-V150 PolarHBondContact O-N 3.12Å; F146-V150 VanDerWaalsContact O-N 3.12Å; C147-V150 WeakPolarHBondContact O-CG2 3.48Å; Y148-V150 VanDerWaalsContact C-N 3.34Å; Y148-V150 PolarHBondContact O-N 2.86Å |
| 151 | N | 49.9 | Very low | 44 | Very low | 123 Ų | 123 | 114.4 Ų | 114.4 | 66% | 0.658 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -108 | 7 | 180 | -81.4 | -57.1 | 0 | 0 | 0 | 113.6 | C147 Y148 | C147-N151 PolarHBondContact O-ND2 3.04Å; Y148-N151 PolarHBondContact O-N 2.89Å |
| 152 | L | 43.2 | Very low | 43.1 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | | | trans | -115.5 | 100.6 | 179.5 | -87.6 | 153.4 | 0 | 0 | 0 | 110.3 | Y148 | Y148-L152 WeakPolarHBondContact O-CD1 3.49Š|
| 153 | P | 37.1 | Very low | 41.9 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | | | trans | -79.5 | 138.3 | 169.5 | 31.8 | -28.7 | 0 | 0 | 0 | 110.2 | | |
| 154 | S | 34.6 | Very low | 41.1 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 72.2 | 104.4 | 155.6 | -66.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 155 | S | 30.9 | Very low | 40 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | S | Bend | | 160.9 | 15.4 | 121.3 | 51 | 0 | 0 | 0 | 0 | 116.7 | | |
| 156 | L | 35.4 | Very low | 39.1 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 90% | 0.895 | 73% | 0.732 | S | S | * | * | | | trans | -112.9 | 48.4 | 173.8 | -144.1 | 167.1 | 0 | 0 | 0 | 112.6 | | |
| 157 | T | 36.4 | Very low | 38.3 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | | | trans | -122 | 73.9 | -179.7 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 158 | T | 41.1 | Very low | 37.8 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -154.7 | -14.2 | 166.8 | -27 | 0 | 0 | 0 | 0 | 117.7 | | |
| 159 | L | 31.9 | Very low | 37.6 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -143 | 53.7 | -177 | -68.7 | 179.5 | 0 | 0 | 0 | 115.8 | | |
| 160 | L | 40.4 | Very low | 37 | Very low | 179 Ų | 179 | 132 Ų | 132 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | | | trans | -139.2 | 79.4 | 151.2 | -108.1 | 107.7 | 0 | 0 | 0 | 109.9 | | |
| 161 | P | 32.7 | Very low | 36.8 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | trans | -84.2 | 122.1 | 155.3 | 32 | -22.9 | 0 | 0 | 0 | 107.7 | | |
| 162 | L | 37.3 | Very low | 36 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | | | trans | 161.3 | 104.7 | 132.8 | -89 | 149.7 | 0 | 0 | 0 | 112.2 | | |
| 163 | A | 31.1 | Very low | 35.8 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | | | trans | 67.1 | 70.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 164 | L | 35.3 | Very low | 35.7 | Very low | 172 Ų | 172 | 133 Ų | 133 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | trans | -122 | 86 | 135.2 | -87 | 173.5 | 0 | 0 | 0 | 108 | | |
| 165 | G | 30.7 | Very low | 35.7 | Very low | 64 Ų | 64 | 133.9 Ų | 133.9 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | | | trans | -76.6 | 124.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 166 | F | 34.6 | Very low | 35.7 | Very low | 200 Ų | 200 | 131.1 Ų | 131.1 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -143.5 | 100 | 150.7 | -84.5 | -75.4 | 0 | 0 | 0 | 109.1 | | |
| 167 | S | 28.9 | Very low | 35.6 | Very low | 90 Ų | 90 | 130.2 Ų | 130.2 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | | | trans | 55.5 | 105 | 146.7 | -162.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 168 | P | 38.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -95.6 | 95.7 | 164.9 | 35.4 | -23.4 | 0 | 0 | 0 | 110.4 | | |
| 169 | H | 41.7 | Very low | 35.7 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | trans | -124 | 115 | 160.7 | -71 | -48.4 | 0 | 0 | 0 | 108.8 | | |
| 170 | L | 36.9 | Very low | 36.2 | Very low | 145 Ų | 145 | 126 Ų | 126 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -46.9 | 155.9 | -177.9 | -88.8 | 83.5 | 0 | 0 | 0 | 113.4 | V172 | L170-V172 HydrophobicContact CD2-CG2 3.73Š|
| 171 | P | 45.4 | Very low | 36.4 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | | | | -126.1 | 135.2 | 101.1 | 34.1 | -27.1 | 0 | 0 | 0 | 112.7 | S173 | P171-S173 PolarHBondContact O-N 3.12Š|
| 172 | V | 33.2 | Very low | 36.9 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | trans | -38.7 | 128.7 | 163.4 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L170 | L170-V172 HydrophobicContact CD2-CG2 3.73Š|
| 173 | S | 37.9 | Very low | 37 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -132.7 | 123.9 | 161.5 | -165.8 | 0 | 0 | 0 | 0 | 110.1 | P171 | P171-S173 PolarHBondContact O-N 3.12Š|
| 174 | V | 36 | Very low | 37.4 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | trans | -63.7 | 145.7 | -175.7 | -163.6 | 0 | 0 | 0 | 0 | 109.9 | G176 | V174-G176 PolarHBondContact O-N 3.42Š|
| 175 | C | 33.1 | Very low | 37.7 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 89% | 0.885 | 72% | 0.72 | S | S | * | * | | | trans | -45 | 110.6 | 168 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 176 | G | 32.5 | Very low | 38.2 | Very low | 61 Ų | 61 | 125 Ų | 125 | 63% | 0.629 | 72% | 0.716 | S | S | * | * | | | trans | -139.7 | 99.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V174 G178 | V174-G176 PolarHBondContact O-N 3.42Å; G176-G178 PolarHBondContact O-N 3.42Å |
| 177 | T | 33.1 | Very low | 38.6 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 93% | 0.933 | 71% | 0.707 | S | S | * | * | | | trans | -25.8 | 119.8 | 158.4 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 178 | G | 38.4 | Very low | 39.2 | Very low | 47 Ų | 47 | 120.2 Ų | 120.2 | 49% | 0.485 | 70% | 0.7 | S | S | . | * | | | trans | 163.9 | -18.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | G176 L180 A181 | G176-G178 PolarHBondContact O-N 3.42Å; G178-L180 VanDerWaalsContact C-N 3.3Å; G178-L180 PolarHBondContact O-N 3.48Å; G178-A181 PolarHBondContact O-N 2.98Å |
| 179 | T | 40 | Very low | 39.4 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -14.3 | -164.1 | -38.3 | 0 | 0 | 0 | 0 | 115.3 | A181 | T179-A181 VanDerWaalsContact C-N 3.33Å; T179-A181 PolarHBondContact O-N 3.5Å |
| 180 | L | 43.2 | Very low | 39.5 | Very low | 147 Ų | 147 | 115.3 Ų | 115.3 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -81.2 | -8.6 | -178.8 | -138.9 | 146.1 | 0 | 0 | 0 | 113.6 | G178 | G178-L180 VanDerWaalsContact C-N 3.3Å; G178-L180 PolarHBondContact O-N 3.48Å |
| 181 | A | 45.1 | Very low | 39.8 | Very low | 68 Ų | 68 | 116.8 Ų | 116.8 | 56% | 0.562 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -82.8 | -29.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G178 T179 A185 | G178-A181 PolarHBondContact O-N 2.98Å; T179-A181 VanDerWaalsContact C-N 3.33Å; T179-A181 PolarHBondContact O-N 3.5Å; A181-A185 WeakPolarHBondContact O-CB 3.35Å; A181-A185 PolarHBondContact O-N 2.98Å |
| 182 | Y | 42.3 | Very low | 39.4 | Very low | 195 Ų | 195 | 121.5 Ų | 121.5 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75 | -37.4 | -174.7 | -96.8 | -88.3 | 0 | 0 | 0 | 113.5 | R184 A185 F186 | Y182-R184 VanDerWaalsContact C-N 3.33Å; Y182-R184 PolarHBondContact O-N 3.37Å; Y182-A185 PolarHBondContact O-N 3.01Å; Y182-F186 WeakPolarHBondContact O-CB 3.46Å; Y182-F186 PolarHBondContact O-N 3.03Å |
| 183 | L | 39.5 | Very low | 39.5 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 56% | 0.56 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.6 | -32.4 | 175.6 | -80 | 169.2 | 0 | 0 | 0 | 112.4 | F186 L187 | L183-F186 PolarHBondContact O-N 3.46Å; L183-L187 WeakPolarHBondContact O-CB 3.14Å; L183-L187 WeakPolarHBondContact O-CG 3.43Å; L183-L187 PolarHBondContact O-N 3.06Å |
| 184 | R | 39.7 | Very low | 39.5 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 74% | 0.74 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.7 | -35.3 | 175.2 | -140.2 | 178.6 | -155 | 171.6 | 6.2 | 111.6 | Y182 A188 | Y182-R184 VanDerWaalsContact C-N 3.33Å; Y182-R184 PolarHBondContact O-N 3.37Å; R184-A188 WeakPolarHBondContact O-CB 3Å; R184-A188 PolarHBondContact O-N 3.44Å |
| 185 | A | 41.4 | Very low | 39.4 | Very low | 52 Ų | 52 | 127.8 Ų | 127.8 | 43% | 0.43 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -69.5 | -34.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A181 Y182 S189 | A181-A185 WeakPolarHBondContact O-CB 3.35Å; A181-A185 PolarHBondContact O-N 2.98Å; Y182-A185 PolarHBondContact O-N 3.01Å; A185-S189 WeakPolarHBondContact O-CB 3.45Å; A185-S189 PolarHBondContact O-N 3.42Å; A185-S189 PolarHBondContact O-OG 3.01Å |
| 186 | F | 40.5 | Very low | 39.3 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74.5 | -45.4 | 179.1 | -149.3 | -99 | 0 | 0 | 0 | 112 | Y182 L183 S189 E190 | Y182-F186 WeakPolarHBondContact O-CB 3.46Å; Y182-F186 PolarHBondContact O-N 3.03Å; L183-F186 PolarHBondContact O-N 3.46Å; F186-S189 PolarHBondContact O-N 2.66Å; F186-E190 WeakPolarHBondContact O-CG 3.45Å; F186-E190 PolarHBondContact O-N 3.42Å; F186-E190 VanDerWaalsContact O-N 3.12Å |
| 187 | L | 43.4 | Very low | 39.3 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.1 | -29.1 | 175.9 | -69.8 | 167.3 | 0 | 0 | 0 | 113.1 | L183 | L183-L187 WeakPolarHBondContact O-CB 3.14Å; L183-L187 WeakPolarHBondContact O-CG 3.43Å; L183-L187 PolarHBondContact O-N 3.06Å |
| 188 | A | 41.7 | Very low | 39.2 | Very low | 59 Ų | 59 | 138.9 Ų | 138.9 | 49% | 0.488 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -81.1 | -21.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R184 | R184-A188 WeakPolarHBondContact O-CB 3Å; R184-A188 PolarHBondContact O-N 3.44Å |
| 189 | S | 42.3 | Very low | 38.9 | Very low | 72 Ų | 72 | 141.3 Ų | 141.3 | 50% | 0.503 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -84.3 | -35.1 | 176.1 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | A185 F186 H191 | A185-S189 WeakPolarHBondContact O-CB 3.45Å; A185-S189 PolarHBondContact O-N 3.42Å; A185-S189 PolarHBondContact O-OG 3.01Å; F186-S189 PolarHBondContact O-N 2.66Å; S189-H191 VanDerWaalsContact C-N 3.3Å; S189-H191 PolarHBondContact O-N 3.18Å |
| 190 | E | 44.5 | Very low | 38.7 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 56% | 0.561 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.4 | -21.1 | 179 | -73.7 | -67.1 | 114.8 | 0 | 0 | 113.2 | F186 | F186-E190 WeakPolarHBondContact O-CG 3.45Å; F186-E190 PolarHBondContact O-N 3.42Å; F186-E190 VanDerWaalsContact O-N 3.12Å |
| 191 | H | 41.7 | Very low | 38.4 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 2.2 | -177.7 | -134.1 | -79 | 0 | 0 | 0 | 114.8 | S189 | S189-H191 VanDerWaalsContact C-N 3.3Å; S189-H191 PolarHBondContact O-N 3.18Å |
| 192 | R | 38.3 | Very low | 37.7 | Very low | 223 Ų | 223 | 148 Ų | 148 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -122.3 | 1.7 | -179.7 | -85.1 | -174.3 | 174.1 | 175.4 | -0.9 | 115.2 | | |
| 193 | R | 35.7 | Very low | 37.2 | Very low | 221 Ų | 221 | 142.8 Ų | 142.8 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -109.5 | 10.2 | -177 | -103.1 | -169.2 | -177.7 | -140.6 | 2.1 | 116.6 | | |
| 194 | L | 36.2 | Very low | 37.1 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | | | trans | -112.2 | 68.2 | 173.8 | -60.6 | 176.8 | 0 | 0 | 0 | 109.8 | | |
| 195 | P | 33.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | | | | -150.1 | 93.4 | 121 | 33.5 | -12.8 | 0 | 0 | 0 | 112.4 | | |
| 196 | Y | 32 | Very low | 36.6 | Very low | 222 Ų | 222 | 147.6 Ų | 147.6 | 87% | 0.871 | 73% | 0.734 | S | S | * | * | | | trans | -130.8 | 96.5 | 152.7 | -97.6 | -91.2 | 0 | 0 | 0 | 107.1 | | |
| 197 | Y | 31.9 | Very low | 36.7 | Very low | 216 Ų | 216 | 150.4 Ų | 150.4 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | | | trans | -56.8 | 179.6 | 142.6 | -103.7 | -98.9 | 0 | 0 | 0 | 108.8 | | |
| 198 | I | 31.4 | Very low | 36.1 | Very low | 139 Ų | 139 | 156.3 Ų | 156.3 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | 92.1 | 116.2 | 159.2 | -43 | 156.2 | 0 | 0 | 0 | 111.1 | | |
| 199 | S | 32.1 | Very low | 35.9 | Very low | 99 Ų | 99 | 161.7 Ų | 161.7 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | cis | -161.8 | 124.2 | 47.6 | -49.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 200 | V | 36.3 | Very low | 35.5 | Very low | 131 Ų | 131 | 161.5 Ų | 161.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | | 58.8 | 139.2 | 89.4 | -173.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 201 | P | 37 | Very low | 35.1 | Very low | 106 Ų | 106 | 161.4 Ų | 161.4 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | | | cis | -127.1 | 163.2 | -30.4 | 34.1 | -17.2 | 0 | 0 | 0 | 111.3 | | |
| 202 | Y | 29.6 | Very low | 34.9 | Very low | 241 Ų | 241 | 157 Ų | 157 | 95% | 0.945 | 80% | 0.798 | S | S | * | * | | | trans | -132.1 | 110.9 | 158.2 | -120 | -91.9 | 0 | 0 | 0 | 110.8 | | |
| 203 | A | 32.1 | Very low | 34.8 | Very low | 87 Ų | 87 | 154.3 Ų | 154.3 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | -74.5 | 132.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 204 | Q | 37.1 | Very low | 34.9 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -170.7 | 97.3 | 146.7 | -144.6 | 127.2 | -106.8 | 0 | 0 | 107.3 | | |
| 205 | L | 33.5 | Very low | 34.8 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | | 68.2 | 110.2 | 91 | -166.9 | 140.7 | 0 | 0 | 0 | 113.4 | | |
| 206 | N | 38 | Very low | 34.6 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | 71.3 | 102.8 | 159.2 | -63 | -26.9 | 0 | 0 | 0 | 119.1 | | |
| 207 | Q | 42.6 | Very low | 34.6 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | | 178.7 | 109.2 | 100.8 | -88.7 | -177.6 | 32.7 | 0 | 0 | 112.5 | | |
| 208 | R | 30.1 | Very low | 34.6 | Very low | 252 Ų | 252 | 140.1 Ų | 140.1 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | | | trans | -10.8 | 114.6 | 151.1 | -178.3 | 171.3 | 174.4 | 167.1 | -3.6 | 117.6 | | |
| 209 | L | 36.8 | Very low | 34.6 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -154.8 | 115.5 | 132.2 | -167.5 | 64.5 | 0 | 0 | 0 | 108.9 | | |
| 210 | G | 35.8 | Very low | 34.7 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -83.4 | 146.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 211 | S | 35.4 | Very low | 34.5 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -168.2 | 113.7 | 137.6 | -162.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 212 | A | 36.8 | Very low | 34.6 | Very low | 81 Ų | 81 | 150.3 Ų | 150.3 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | | | trans | 49.1 | 141.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 213 | I | 37.3 | Very low | 35.1 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | | | trans | 88.9 | 127.1 | 160.3 | -46.4 | 164.9 | 0 | 0 | 0 | 113.3 | | |
| 214 | S | 37.3 | Very low | 35.4 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 55% | 0.552 | 81% | 0.806 | S | S | * | * | | | cis | 171 | 133.7 | -19.7 | 151.3 | 0 | 0 | 0 | 0 | 104.4 | | |
| 215 | K | 34.6 | Very low | 35.3 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | 66.4 | 110 | 153.7 | -69.4 | 169 | -175.9 | 168.6 | 0 | 118.7 | | |
| 216 | C | 28.1 | Very low | 35.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | | 151.4 | 111.8 | 114.9 | -78.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 217 | P | 33 | Very low | 35.5 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | | | trans | -86.9 | 139.4 | 170.3 | 34.7 | -28.9 | 0 | 0 | 0 | 110.5 | | |
| 218 | S | 31.1 | Very low | 35 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 47.5 | 109.9 | 148 | 48.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 219 | G | 32.2 | Very low | 35.4 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | 145 | 78.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 220 | L | 34.6 | Very low | 35.2 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | trans | -128.7 | 102.9 | 154.2 | -78.2 | 177.3 | 0 | 0 | 0 | 109.7 | | |
| 221 | R | 32.1 | Very low | 35.1 | Very low | 242 Ų | 242 | 133.1 Ų | 133.1 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | -57.3 | 132.5 | 166.7 | -72.4 | 163 | 158.8 | -105.1 | 0.4 | 109.6 | | |
| 222 | F | 39 | Very low | 34.9 | Very low | 207 Ų | 207 | 132.3 Ų | 132.3 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | | | trans | -116.3 | 122.8 | 148.6 | -88.4 | -87.4 | 0 | 0 | 0 | 107.4 | | |
| 223 | G | 39.6 | Very low | 34.7 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -85 | 158.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 224 | G | 37.7 | Very low | 34.5 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | 97.8 | 117.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 225 | Y | 36.4 | Very low | 34.8 | Very low | 239 Ų | 239 | 134.4 Ų | 134.4 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | | | cis | -152.4 | 153.9 | 4 | -113 | -97.2 | 0 | 0 | 0 | 107.7 | | |
| 226 | G | 40.1 | Very low | 34.9 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | | | trans | -58.1 | 165.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 227 | I | 35.4 | Very low | 35 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | | -151 | 129.3 | 66.5 | -28.1 | 179.1 | 0 | 0 | 0 | 109.6 | | |
| 228 | S | 32.3 | Very low | 35 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | | | trans | -101.2 | 131 | 169 | 170.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 229 | T | 38.7 | Very low | 35.2 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -136.1 | 86.3 | 155.2 | 59 | 0 | 0 | 0 | 0 | 108.3 | | |
| 230 | V | 31 | Very low | 35.3 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | | | trans | -89 | 124.8 | 152.9 | 177.6 | 0 | 0 | 0 | 0 | 105.8 | | |
| 231 | C | 34.2 | Very low | 35.6 | Very low | 123 Ų | 123 | 132 Ų | 132 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | | 169.5 | 132.2 | 129.8 | -87.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 232 | A | 30.9 | Very low | 36 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -37.2 | 138.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 233 | S | 33.9 | Very low | 36.3 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -162.2 | 119.2 | 142 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 234 | T | 31.7 | Very low | 36.5 | Very low | 133 Ų | 133 | 121 Ų | 121 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | | | trans | -62 | 110.7 | 169.3 | 38.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 235 | T | 43.8 | Very low | 36.9 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -168.5 | 129 | 147.3 | -7.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 236 | P | 36.7 | Very low | 37.2 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | trans | -91.1 | 153.5 | 177.8 | 36.2 | -30.9 | 0 | 0 | 0 | 111.8 | | |
| 237 | C | 30.7 | Very low | 37.5 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 92% | 0.919 | 81% | 0.809 | S | S | * | * | | | trans | 62.8 | 134.4 | 161.1 | -61.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 238 | G | 32.7 | Very low | 38.2 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | 126.5 | 128.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 239 | L | 35.8 | Very low | 39 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | 84.4 | 98 | 146.9 | -50 | 178.6 | 0 | 0 | 0 | 115.7 | | |
| 240 | A | 33.8 | Very low | 39.4 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | | | | 86 | 153.1 | 67.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 241 | L | 40.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 128 Ų | 128 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | | | trans | 95.8 | 119.1 | 175.3 | -52.4 | 177.1 | 0 | 0 | 0 | 113.6 | | |
| 242 | A | 40.1 | Very low | 40.8 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | cis | -162.2 | 163.2 | 10.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 243 | P | 46.5 | Very low | 41.5 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -108.8 | 167.6 | -163.6 | 39.9 | -28.8 | 0 | 0 | 0 | 114.1 | | |
| 244 | G | 43.1 | Very low | 41.8 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 155 | 130.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 245 | L | 46.5 | Very low | 42 | Very low | 173 Ų | 173 | 133 Ų | 133 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | cis | -160.9 | 156.8 | 2.6 | -109.1 | 154.9 | 0 | 0 | 0 | 106.3 | | |
| 246 | P | 43.5 | Very low | 42.4 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | trans | -104.5 | 140.6 | -178.6 | 36.3 | -24.1 | 0 | 0 | 0 | 112.2 | | |
| 247 | W | 45.3 | Very low | 42.9 | Very low | 261 Ų | 261 | 137 Ų | 137 | 99% | 0.989 | 78% | 0.782 | S | S | * | * | | | trans | -178.2 | 139.7 | 160.4 | -104.5 | 7.5 | 0 | 0 | 0 | 107.1 | | |
| 248 | A | 49.3 | Very low | 43.6 | Very low | 69 Ų | 69 | 140 Ų | 140 | 57% | 0.57 | 78% | 0.78 | S | S | * | * | | | cis | -165.2 | 162.2 | -1.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 249 | D | 49.8 | Very low | 43.9 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | trans | 85.9 | 85.3 | 150.8 | -54.6 | -26.6 | 0 | 0 | 0 | 120.4 | | |
| 250 | E | 47.5 | Very low | 44.6 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -71 | -167.1 | 157.5 | -166.9 | 139.7 | 175.7 | 0 | 0 | 111 | | |
| 251 | P | 48.9 | Very low | 45.4 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | | -126.1 | -163.1 | -96.7 | 42.9 | -23.6 | 0 | 0 | 0 | 114.1 | | |
| 252 | S | 45.2 | Very low | 45.7 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | 90.6 | 165.6 | 158.6 | -59 | 0 | 0 | 0 | 0 | 117.6 | | |
| 253 | P | 45.3 | Very low | 45.8 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -136.7 | 175.2 | -32.3 | 30.3 | -9.7 | 0 | 0 | 0 | 113.4 | | |
| 254 | R | 40.7 | Very low | 45.9 | Very low | 219 Ų | 219 | 143 Ų | 143 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | 44.4 | 133.1 | 142.4 | -78.9 | -178.4 | -176.8 | -160.7 | 0.7 | 121.3 | | |
| 255 | N | 35.7 | Very low | 46.3 | Very low | 136 Ų | 136 | 150 Ų | 150 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | 57.2 | 111.4 | 138.8 | -83.2 | -55.8 | 0 | 0 | 0 | 117.6 | | |
| 256 | L | 52.6 | Low | 46.3 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | | | | 158.6 | 138.9 | 118.8 | -92.3 | 151.1 | 0 | 0 | 0 | 111.3 | | |
| 257 | R | 46.4 | Very low | 46.4 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | 74.7 | 117.4 | 155.9 | -19.4 | -164.2 | 172.1 | -161.2 | -8.9 | 114 | | |
| 258 | F | 46.4 | Very low | 46.5 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | cis | -146.6 | 113.9 | 46.4 | -76.4 | -90.3 | 0 | 0 | 0 | 112 | | |
| 259 | S | 39 | Very low | 46.3 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -71.5 | 126.5 | 149.7 | 43.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 260 | A | 49.6 | Very low | 46.1 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -144.2 | 91.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 261 | I | 51.4 | Low | 46 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | -79.9 | 159.5 | 168.1 | -115.6 | 165.9 | 0 | 0 | 0 | 108.1 | | |
| 262 | M | 46.7 | Very low | 45.8 | Very low | 162 Ų | 162 | 150 Ų | 150 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | | | trans | 82.8 | 135.6 | 160.3 | -112.2 | -168.1 | -82.4 | 0 | 0 | 115.9 | | |
| 263 | I | 42.9 | Very low | 45.9 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | | | cis | -154.2 | 149.1 | 27.9 | -61 | 180 | 0 | 0 | 0 | 108.6 | | |
| 264 | P | 48.3 | Very low | 45.9 | Very low | 112 Ų | 112 | 156.7 Ų | 156.7 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | | | trans | -90.1 | 146.5 | -178.7 | 35.8 | -32.8 | 0 | 0 | 0 | 113.8 | | |
| 265 | T | 51.4 | Low | 46.4 | Very low | 219 Ų | 219 | 151 Ų | 151 | 100% | 1.344 | 82% | 0.822 | S | S | * | * | | | trans | -158.4 | 0 | 143.2 | 32.5 | 0 | 0 | 0 | 0 | 108 | | |