| 1 | M | 40 | Very low | 43.5 | Very low | 239 Ų | 239 | 161.9 Ų | 161.9 | 100% | 1.177 | 85% | 0.849 | S | S | * | * | | | | 0 | 106.7 | 0 | -71.4 | -178.8 | -93.9 | 0 | 0 | 107.6 | | |
| 2 | K | 40.9 | Very low | 43.7 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | | | trans | -105.3 | 122 | 178.4 | -76.5 | 175.2 | 173.2 | 178.7 | 0 | 106.8 | L4 | K2-L4 PolarHBondContact O-N 3.34Š|
| 3 | F | 39.8 | Very low | 43.9 | Very low | 210 Ų | 210 | 161.2 Ų | 161.2 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | | | trans | -64.2 | 122.7 | 177 | -80.4 | -91.7 | 0 | 0 | 0 | 109.8 | G5 | F3-G5 PolarHBondContact O-N 3.29Š|
| 4 | L | 50.6 | Low | 43.1 | Very low | 177 Ų | 177 | 155.5 Ų | 155.5 | 93% | 0.927 | 84% | 0.838 | S | S | * | * | | | trans | -67.2 | 119.1 | 159.9 | -87.2 | 70 | 0 | 0 | 0 | 107.6 | K2 | K2-L4 PolarHBondContact O-N 3.34Š|
| 5 | G | 38 | Very low | 42.6 | Very low | 69 Ų | 69 | 150.1 Ų | 150.1 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | | | trans | -146 | 96.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | F3 N7 | F3-G5 PolarHBondContact O-N 3.29Å; G5-N7 PolarHBondContact O-N 3.18Å |
| 6 | G | 43.7 | Very low | 42.3 | Very low | 71 Ų | 71 | 150.1 Ų | 150.1 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | | | trans | -73.9 | 119.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 7 | N | 44.3 | Very low | 41.5 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 74% | 0.738 | 83% | 0.828 | S | S | * | * | | | trans | -133.7 | 74.4 | 159.5 | -88.7 | 70.6 | 0 | 0 | 0 | 106.7 | G5 D9 | G5-N7 PolarHBondContact O-N 3.18Å; N7-D9 PolarHBondContact O-N 3.37Å; N7-D9 VanDerWaalsContact O-N 3.15Å |
| 8 | D | 44.5 | Very low | 41.2 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 83% | 0.834 | S | S | * | * | | | trans | -83.9 | 70.5 | 165.4 | -92.2 | -56.8 | 0 | 0 | 0 | 109.1 | R10 | D8-R10 VanDerWaalsContact C-N 3.26Å; D8-R10 PolarHBondContact O-N 3.48Å |
| 9 | D | 48.1 | Very low | 40.6 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 83% | 0.831 | S | S | * | * | | | trans | -81.1 | 74.1 | 160.4 | -74.2 | -56.4 | 0 | 0 | 0 | 109 | N7 | N7-D9 PolarHBondContact O-N 3.37Å; N7-D9 VanDerWaalsContact O-N 3.15Å |
| 10 | R | 49.2 | Very low | 40.4 | Very low | 223 Ų | 223 | 141.1 Ų | 141.1 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | | | trans | -122.7 | 82.1 | 161.8 | -72.7 | -169 | -168.7 | 160.6 | 6.5 | 110.2 | D8 G12 | D8-R10 VanDerWaalsContact C-N 3.26Å; D8-R10 PolarHBondContact O-N 3.48Å; R10-G12 PolarHBondContact O-N 3.15Å |
| 11 | N | 39.8 | Very low | 40 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | | | trans | -51.6 | 132.1 | 148.6 | -170.6 | 8 | 0 | 0 | 0 | 109.2 | | |
| 12 | G | 45.4 | Very low | 39.6 | Very low | 55 Ų | 55 | 134.4 Ų | 134.4 | 57% | 0.567 | 81% | 0.805 | S | S | * | * | | | trans | 54.5 | 92.3 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | R10 | R10-G12 PolarHBondContact O-N 3.15Š|
| 13 | R | 46.8 | Very low | 39.8 | Very low | 260 Ų | 260 | 133.5 Ų | 133.5 | 98% | 0.981 | 81% | 0.808 | S | S | * | * | | | trans | -175.7 | 99.3 | 135.2 | -100.9 | 160.8 | -160.1 | -157.8 | 6.7 | 110 | | |
| 14 | G | 32.5 | Very low | 39.4 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -160.4 | 68.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 15 | G | 35.7 | Very low | 38.4 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -80.4 | 137.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 16 | V | 37 | Very low | 38.7 | Very low | 150 Ų | 150 | 127 Ų | 127 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -152.1 | 112.8 | 151.3 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 17 | G | 29.8 | Very low | 38.4 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | | | trans | 79.6 | 146 | 146 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 18 | V | 34.8 | Very low | 38.1 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | | | cis | -163.7 | 137.4 | 3.7 | -170.3 | 0 | 0 | 0 | 0 | 104.7 | | |
| 19 | G | 30.2 | Very low | 37.6 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | 155.2 | 77.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 20 | T | 37.4 | Very low | 37.3 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | | | trans | -59.7 | 150.9 | 162.3 | -37.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 21 | D | 32 | Very low | 37 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | 80.9 | 86.4 | 165 | -52.5 | -38.1 | 0 | 0 | 0 | 118.8 | | |
| 22 | A | 31.1 | Very low | 36.8 | Very low | 89 Ų | 89 | 120.8 Ų | 120.8 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | -158.8 | 84.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 111 | V24 | A22-V24 PolarHBondContact O-N 3.47Š|
| 23 | I | 44.5 | Very low | 36.5 | Very low | 183 Ų | 183 | 123.8 Ų | 123.8 | 94% | 0.938 | 79% | 0.788 | S | S | * | * | | | trans | -67.6 | 81.5 | 147.6 | -61 | 171.4 | 0 | 0 | 0 | 105.8 | | |
| 24 | V | 32.3 | Very low | 36.1 | Very low | 128 Ų | 128 | 114.7 Ų | 114.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -147.3 | 109.7 | 169.8 | 180 | 0 | 0 | 0 | 0 | 109.1 | A22 | A22-V24 PolarHBondContact O-N 3.47Š|
| 25 | G | 29.1 | Very low | 36.4 | Very low | 65 Ų | 65 | 114 Ų | 114 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | trans | 87 | 88.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | R27 | G25-R27 PolarHBondContact O-N 3.01Š|
| 26 | S | 43.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 116 Ų | 116 | 88% | 0.881 | 75% | 0.748 | S | S | * | * | | | trans | -46.7 | 107.9 | 142.6 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 27 | R | 38.5 | Very low | 36.7 | Very low | 247 Ų | 247 | 111.8 Ų | 111.8 | 93% | 0.932 | 73% | 0.728 | S | S | * | * | | | trans | -169.7 | 112.4 | 161 | -102.4 | 164.2 | -151.5 | -161 | 7.1 | 109.7 | G25 | G25-R27 PolarHBondContact O-N 3.01Š|
| 28 | G | 38 | Very low | 37.1 | Very low | 86 Ų | 86 | 111.6 Ų | 111.6 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | | | trans | 96.9 | 95.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 29 | G | 33.6 | Very low | 37.4 | Very low | 47 Ų | 47 | 106.4 Ų | 106.4 | 49% | 0.485 | 70% | 0.698 | S | S | . | * | | | trans | -178.5 | 24.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S31 | G29-S31 PolarHBondContact O-N 2.89Š|
| 30 | V | 42.9 | Very low | 38 | Very low | 133 Ų | 133 | 106 Ų | 106 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 26.1 | 178.7 | -78.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 31 | S | 41.1 | Very low | 38.1 | Very low | 98 Ų | 98 | 103.2 Ų | 103.2 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -9.4 | -174.7 | -56.3 | 0 | 0 | 0 | 0 | 114.5 | G29 | G29-S31 PolarHBondContact O-N 2.89Š|
| 32 | Q | 37 | Very low | 38.5 | Very low | 143 Ų | 143 | 99 Ų | 99 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -83.5 | -41.1 | 170.2 | -108.9 | 91.4 | 9.7 | 0 | 0 | 111.8 | A34 A35 D36 | Q32-A34 PolarHBondContact O-N 3.22Å; Q32-A35 PolarHBondContact O-N 3.24Å; Q32-D36 PolarHBondContact O-N 2.78Å |
| 33 | D | 39.6 | Very low | 38.8 | Very low | 119 Ų | 119 | 97.8 Ų | 97.8 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.8 | -27 | -171.7 | -61.7 | -52.4 | 0 | 0 | 0 | 114.5 | A37 | D33-A37 WeakPolarHBondContact O-CB 3.47Å; D33-A37 PolarHBondContact O-N 3.26Å; D33-A37 VanDerWaalsContact O-N 3.09Å |
| 34 | A | 37.9 | Very low | 38.7 | Very low | 68 Ų | 68 | 93.2 Ų | 93.2 | 56% | 0.562 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.9 | -28.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q32 A38 | Q32-A34 PolarHBondContact O-N 3.22Å; A34-A38 WeakPolarHBondContact O-CB 3.27Å; A34-A38 PolarHBondContact O-N 3.43Å; A34-A38 VanDerWaalsContact O-N 3.17Å |
| 35 | A | 38.2 | Very low | 39 | Very low | 67 Ų | 67 | 91.2 Ų | 91.2 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q32 A38 G39 | Q32-A35 PolarHBondContact O-N 3.24Å; A35-A38 PolarHBondContact O-N 2.84Å; A35-G39 PolarHBondContact O-N 3.3Å |
| 36 | D | 39.9 | Very low | 39.5 | Very low | 118 Ų | 118 | 92.6 Ų | 92.6 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.3 | -33.5 | 174.9 | -76.5 | -28.1 | 0 | 0 | 0 | 112.3 | Q32 G39 A40 | Q32-D36 PolarHBondContact O-N 2.78Å; D36-G39 PolarHBondContact O-N 3.04Å; D36-A40 WeakPolarHBondContact O-CB 3.33Å; D36-A40 PolarHBondContact O-N 2.86Å |
| 37 | A | 38.8 | Very low | 39.1 | Very low | 61 Ų | 61 | 90.2 Ų | 90.2 | 50% | 0.504 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.8 | -35.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D33 A41 | D33-A37 WeakPolarHBondContact O-CB 3.47Å; D33-A37 PolarHBondContact O-N 3.26Å; D33-A37 VanDerWaalsContact O-N 3.09Å; A37-A41 WeakPolarHBondContact O-CB 3.42Å; A37-A41 PolarHBondContact O-N 3.45Å |
| 38 | A | 38.7 | Very low | 38.7 | Very low | 61 Ų | 61 | 87.2 Ų | 87.2 | 50% | 0.504 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.4 | -35.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A34 A35 A41 A42 | A34-A38 WeakPolarHBondContact O-CB 3.27Å; A34-A38 PolarHBondContact O-N 3.43Å; A34-A38 VanDerWaalsContact O-N 3.17Å; A35-A38 PolarHBondContact O-N 2.84Å; A38-A41 PolarHBondContact O-N 3.47Å; A38-A42 WeakPolarHBondContact O-CB 3.4Å; A38-A42 PolarHBondContact O-N 3.28Å |
| 39 | G | 40.9 | Very low | 38.5 | Very low | 45 Ų | 45 | 89.2 Ų | 89.2 | 46% | 0.464 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.1 | -39.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A35 D36 A43 | A35-G39 PolarHBondContact O-N 3.3Å; D36-G39 PolarHBondContact O-N 3.04Å; G39-A43 PolarHBondContact O-N 3.48Å; G39-A43 VanDerWaalsContact O-N 3.14Å |
| 40 | A | 42.4 | Very low | 38.4 | Very low | 67 Ų | 67 | 95.4 Ų | 95.4 | 55% | 0.554 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70 | -36.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | D36 A43 A44 | D36-A40 WeakPolarHBondContact O-CB 3.33Å; D36-A40 PolarHBondContact O-N 2.86Å; A40-A43 PolarHBondContact O-N 2.68Å; A40-A44 PolarHBondContact O-N 3.49Å |
| 41 | A | 39.8 | Very low | 37.8 | Very low | 65 Ų | 65 | 97.6 Ų | 97.6 | 54% | 0.537 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71 | -34.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A37 A38 A44 A45 | A37-A41 WeakPolarHBondContact O-CB 3.42Å; A37-A41 PolarHBondContact O-N 3.45Å; A38-A41 PolarHBondContact O-N 3.47Å; A41-A44 PolarHBondContact O-N 3.28Å; A41-A45 PolarHBondContact O-N 3.45Å |
| 42 | A | 39.6 | Very low | 37.3 | Very low | 62 Ų | 62 | 101.6 Ų | 101.6 | 51% | 0.512 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.6 | -31 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A38 A44 A45 | A38-A42 WeakPolarHBondContact O-CB 3.4Å; A38-A42 PolarHBondContact O-N 3.28Å; A42-A44 VanDerWaalsContact C-N 3.34Å; A42-A45 PolarHBondContact O-N 3.35Å |
| 43 | A | 38.3 | Very low | 36.9 | Very low | 65 Ų | 65 | 105.3 Ų | 105.3 | 54% | 0.537 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.7 | -22.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G39 A40 V46 | G39-A43 PolarHBondContact O-N 3.48Å; G39-A43 VanDerWaalsContact O-N 3.14Å; A40-A43 PolarHBondContact O-N 2.68Å; A43-V46 VanDerWaalsContact O-O 3.09Å |
| 44 | A | 41.8 | Very low | 36.6 | Very low | 87 Ų | 87 | 105.5 Ų | 105.5 | 72% | 0.719 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.3 | -19.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A40 A41 A42 | A40-A44 PolarHBondContact O-N 3.49Å; A41-A44 PolarHBondContact O-N 3.28Å; A42-A44 VanDerWaalsContact C-N 3.34Å |
| 45 | A | 39.5 | Very low | 36.1 | Very low | 86 Ų | 86 | 107.3 Ų | 107.3 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -88.8 | -11.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A41 A42 | A41-A45 PolarHBondContact O-N 3.45Å; A42-A45 PolarHBondContact O-N 3.35Å |
| 46 | V | 40.3 | Very low | 36 | Very low | 93 Ų | 93 | 110.4 Ų | 110.4 | 56% | 0.564 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 100.7 | 170.4 | -174.4 | 0 | 0 | 0 | 0 | 106.6 | A43 Y48 | A43-V46 VanDerWaalsContact O-O 3.09Å; V46-Y48 VanDerWaalsContact C-N 3.28Å; V46-Y48 HydrophobicContact CG1-CD2 4.28Å; V46-Y48 HydrophobicContact CG1-CE2 4.29Å; V46-Y48 PolarHBondContact O-N 3.43Å |
| 47 | G | 34.8 | Very low | 35.6 | Very low | 76 Ų | 76 | 108.7 Ų | 108.7 | 78% | 0.784 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 76.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 48 | Y | 29.5 | Very low | 35.4 | Very low | 185 Ų | 185 | 109.5 Ų | 109.5 | 73% | 0.725 | 70% | 0.701 | S | S | * | * | | | trans | -96.6 | 93.6 | 154.1 | -77.6 | -82.4 | 0 | 0 | 0 | 107.5 | V46 F50 | V46-Y48 VanDerWaalsContact C-N 3.28Å; V46-Y48 HydrophobicContact CG1-CD2 4.28Å; V46-Y48 HydrophobicContact CG1-CE2 4.29Å; V46-Y48 PolarHBondContact O-N 3.43Å; Y48-F50 PolarHBondContact O-N 3.39Å |
| 49 | V | 34.3 | Very low | 35.3 | Very low | 128 Ų | 128 | 113.5 Ų | 113.5 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -63.3 | 89.2 | 159.6 | 176.1 | 0 | 0 | 0 | 0 | 106.6 | Q51 | V49-Q51 VanDerWaalsContact C-N 3.32Å; V49-Q51 HydrophobicContact CG1-CG 4.39Å; V49-Q51 PolarHBondContact O-N 3.14Å |
| 50 | F | 30.4 | Very low | 34.8 | Very low | 176 Ų | 176 | 115 Ų | 115 | 77% | 0.772 | 73% | 0.734 | S | S | * | * | | | trans | -64.3 | 105.5 | 153 | -82.4 | -84.8 | 0 | 0 | 0 | 105.5 | Y48 Q52 | Y48-F50 PolarHBondContact O-N 3.39Å; F50-Q52 PolarHBondContact O-N 3.38Å |
| 51 | Q | 30.4 | Very low | 34.4 | Very low | 180 Ų | 180 | 118.3 Ų | 118.3 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | trans | -55.4 | 95.2 | 160.1 | -79 | -173 | 84.7 | 0 | 0 | 106.7 | V49 R53 | V49-Q51 VanDerWaalsContact C-N 3.32Å; V49-Q51 HydrophobicContact CG1-CG 4.39Å; V49-Q51 PolarHBondContact O-N 3.14Å; Q51-R53 VanDerWaalsContact C-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.4Å |
| 52 | Q | 31.5 | Very low | 34 | Very low | 182 Ų | 182 | 117.9 Ų | 117.9 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | -61.2 | 102.5 | 166.6 | -82.3 | -175.6 | 1.2 | 0 | 0 | 106.3 | F50 P54 | F50-Q52 PolarHBondContact O-N 3.38Å; Q52-P54 VanDerWaalsContact O-CD 3.27Å; Q52-P54 WeakPolarHBondContact O-CD 3.48Å |
| 53 | R | 28.2 | Very low | 33.6 | Very low | 220 Ų | 220 | 122.5 Ų | 122.5 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | | | trans | -56 | 117.5 | 168.9 | -155.4 | 177.8 | -164.8 | -117.4 | 5 | 106.8 | Q51 S55 | Q51-R53 VanDerWaalsContact C-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.4Å; R53-S55 PolarHBondContact O-N 3.39Å |
| 54 | P | 32.7 | Very low | 33.2 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | -66 | 109.2 | 172.5 | -12.7 | 27.2 | 0 | 0 | 0 | 106.8 | Q52 | Q52-P54 VanDerWaalsContact O-CD 3.27Å; Q52-P54 WeakPolarHBondContact O-CD 3.48Å |
| 55 | S | 27.7 | Very low | 32.7 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -95.5 | 125.9 | 169.9 | -141.1 | 0 | 0 | 0 | 0 | 108.2 | R53 | R53-S55 PolarHBondContact O-N 3.39Š|
| 56 | P | 36.6 | Very low | 32.5 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -78.9 | 126.7 | -171 | -3 | 20.2 | 0 | 0 | 0 | 110.8 | | |
| 57 | G | 32.4 | Very low | 31.9 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | | | trans | 169.9 | 101.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 58 | G | 33.3 | Very low | 31.9 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | 150.3 | 57.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G60 | G58-G60 PolarHBondContact O-N 3.22Š|
| 59 | V | 36.5 | Very low | 32 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | -78.2 | 104.3 | 165.9 | -165.7 | 0 | 0 | 0 | 0 | 107 | V61 | V59-V61 HydrophobicContact CG1-CG2 4.42Š|
| 60 | G | 31.7 | Very low | 32.1 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | -129.5 | 89.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G58 | G58-G60 PolarHBondContact O-N 3.22Š|
| 61 | V | 33.8 | Very low | 32.4 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | | | trans | -71.3 | 122.6 | 175.4 | 173 | 0 | 0 | 0 | 0 | 109.5 | V59 | V59-V61 HydrophobicContact CG1-CG2 4.42Š|
| 62 | G | 30.8 | Very low | 32.6 | Very low | 57 Ų | 57 | 112.8 Ų | 112.8 | 59% | 0.588 | 81% | 0.811 | S | S | * | * | | | | 100.8 | 120 | 126.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 63 | V | 32 | Very low | 32.9 | Very low | 158 Ų | 158 | 111.6 Ų | 111.6 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | | | trans | 79.1 | 117 | 131.2 | -167.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 64 | G | 29.4 | Very low | 33.3 | Very low | 74 Ų | 74 | 104.8 Ų | 104.8 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | | | trans | 140.1 | 71.5 | 143 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 65 | G | 30.8 | Very low | 33.4 | Very low | 71 Ų | 71 | 103.3 Ų | 103.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | 55 | 131.4 | 130.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 66 | V | 35.3 | Very low | 34.3 | Very low | 157 Ų | 157 | 105.9 Ų | 105.9 | 95% | 0.952 | 82% | 0.823 | S | S | * | * | | | trans | 94.3 | 99.5 | 143.3 | -159.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 67 | G | 28.4 | Very low | 34.5 | Very low | 74 Ų | 74 | 103 Ų | 103 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | 159.3 | 111.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 68 | G | 35.3 | Very low | 34.5 | Very low | 90 Ų | 90 | 104.1 Ų | 104.1 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | | | trans | -62.3 | 152.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 69 | G | 30.2 | Very low | 35.4 | Very low | 70 Ų | 70 | 106.5 Ų | 106.5 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | 150.5 | 92.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 70 | V | 37.3 | Very low | 35.7 | Very low | 139 Ų | 139 | 106.9 Ų | 106.9 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | | | trans | 63.4 | 120.1 | 157.9 | -159.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 71 | P | 36.7 | Very low | 36.1 | Very low | 125 Ų | 125 | 111.6 Ų | 111.6 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | | | trans | -69.2 | 136.4 | 175.2 | -8.5 | 24 | 0 | 0 | 0 | 111.7 | | |
| 72 | G | 34.3 | Very low | 36.3 | Very low | 73 Ų | 73 | 112.7 Ų | 112.7 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | -68 | 158.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 73 | V | 37.9 | Very low | 36.6 | Very low | 157 Ų | 157 | 112.9 Ų | 112.9 | 95% | 0.952 | 80% | 0.801 | S | S | * | * | | | trans | -114.1 | 83.8 | 155.1 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 74 | G | 35.4 | Very low | 36.9 | Very low | 77 Ų | 77 | 108.6 Ų | 108.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -138.7 | 83.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 75 | A | 34.7 | Very low | 37.2 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -177.4 | 130.3 | 152 | 0 | 0 | 0 | 0 | 0 | 110.1 | G77 | A75-G77 PolarHBondContact O-N 3.3Š|
| 76 | V | 46.7 | Very low | 37.7 | Very low | 159 Ų | 159 | 108.3 Ų | 108.3 | 96% | 0.964 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -40.3 | 119.2 | 158.5 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 77 | G | 41.4 | Very low | 38.1 | Very low | 72 Ų | 72 | 107.4 Ų | 107.4 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | 131.3 | 71.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | A75 | A75-G77 PolarHBondContact O-N 3.3Š|
| 78 | S | 31.9 | Very low | 38.5 | Very low | 106 Ų | 106 | 112 Ų | 112 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | -155.2 | 79.2 | 153.1 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 79 | T | 52.8 | Low | 38.8 | Very low | 127 Ų | 127 | 110.9 Ų | 110.9 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | | | trans | -70 | 133.7 | 170.6 | 44.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 80 | L | 42.5 | Very low | 39.3 | Very low | 155 Ų | 155 | 110.5 Ų | 110.5 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 104.3 | -4.4 | 149.7 | -60.4 | 147.8 | 0 | 0 | 0 | 121.8 | | |
| 81 | H | 39.6 | Very low | 39.5 | Very low | 174 Ų | 174 | 109.6 Ų | 109.6 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -102.7 | -27.8 | 178.5 | -139 | 81.6 | 0 | 0 | 0 | 116.2 | | |
| 82 | E | 39.6 | Very low | 39.9 | Very low | 159 Ų | 159 | 109.5 Ų | 109.5 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -86.8 | -11.2 | 177.1 | -86.2 | 124.4 | 169 | 0 | 0 | 115 | | |
| 83 | A | 36 | Very low | 40.3 | Very low | 61 Ų | 61 | 108.9 Ų | 108.9 | 50% | 0.504 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -71.7 | -29.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 84 | A | 38.5 | Very low | 40.6 | Very low | 68 Ų | 68 | 106.7 Ų | 106.7 | 56% | 0.562 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.7 | -26.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 85 | A | 36.6 | Very low | 40.9 | Very low | 74 Ų | 74 | 109.4 Ų | 109.4 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.4 | -29.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 86 | A | 40.9 | Very low | 41.5 | Very low | 65 Ų | 65 | 111.8 Ų | 111.8 | 54% | 0.537 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73 | -31.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A90 | A86-A90 PolarHBondContact O-N 3.3Å |
| 87 | E | 43.2 | Very low | 41.4 | Very low | 138 Ų | 138 | 111.1 Ų | 111.1 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.4 | -31.3 | 178.4 | -71.1 | -179.9 | 170.1 | 0 | 0 | 112.8 | H91 | E87-H91 PolarHBondContact O-N 3.4Å |
| 88 | Y | 37.8 | Very low | 41.5 | Very low | 171 Ų | 171 | 114 Ų | 114 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.7 | -33.4 | 177.9 | -161.6 | -98.3 | 0 | 0 | 0 | 113.1 | F92 | Y88-F92 HydrophobicContact CE1-CD2 4.31Å; Y88-F92 HydrophobicContact CE1-CE2 4.49Å; Y88-F92 PolarHBondContact O-N 3.21Å |
| 89 | A | 40 | Very low | 42.1 | Very low | 66 Ų | 66 | 112.9 Ų | 112.9 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.3 | -35.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F92 A93 | A89-F92 PolarHBondContact O-N 3.05Å; A89-A93 PolarHBondContact O-N 3.06Å |
| 90 | A | 42.1 | Very low | 41.4 | Very low | 62 Ų | 62 | 116.9 Ų | 116.9 | 51% | 0.512 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.4 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A86 F92 A93 Q94 | A86-A90 PolarHBondContact O-N 3.3Å; A90-F92 VanDerWaalsContact C-N 3.32Å; A90-F92 PolarHBondContact O-N 3.49Å; A90-A93 PolarHBondContact O-N 3.37Å; A90-Q94 PolarHBondContact O-N 3.47Å; A90-Q94 VanDerWaalsContact O-N 3.09Å |
| 91 | H | 39.9 | Very low | 41.2 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 56% | 0.556 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.1 | -30.2 | 178.7 | -119.3 | -83.1 | 0 | 0 | 0 | 113.3 | E87 K95 | E87-H91 PolarHBondContact O-N 3.4Å; H91-K95 PolarHBondContact O-N 3.06Å |
| 92 | F | 45.9 | Very low | 41.2 | Very low | 124 Ų | 124 | 114.6 Ų | 114.6 | 54% | 0.544 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.9 | -38.2 | 175.5 | -123.7 | -87.3 | 0 | 0 | 0 | 112.3 | Y88 A89 A90 K95 Q96 | Y88-F92 HydrophobicContact CE1-CD2 4.31Å; Y88-F92 HydrophobicContact CE1-CE2 4.49Å; Y88-F92 PolarHBondContact O-N 3.21Å; A89-F92 PolarHBondContact O-N 3.05Å; A90-F92 VanDerWaalsContact C-N 3.32Å; A90-F92 PolarHBondContact O-N 3.49Å; F92-K95 PolarHBondContact O-N 3.04Å; F92-Q96 PolarHBondContact O-N 3.49Å |
| 93 | A | 43.1 | Very low | 41.1 | Very low | 59 Ų | 59 | 112.2 Ų | 112.2 | 49% | 0.488 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.4 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A89 A90 Q96 Q97 | A89-A93 PolarHBondContact O-N 3.06Å; A90-A93 PolarHBondContact O-N 3.37Å; A93-Q96 PolarHBondContact O-N 3.02Å; A93-Q97 PolarHBondContact O-N 3.02Å |
| 94 | Q | 44.1 | Very low | 41.2 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 52% | 0.523 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.2 | -38.1 | 175.7 | -125.8 | 178.5 | 10.4 | 0 | 0 | 112.5 | A90 Q96 Q97 Q98 | A90-Q94 PolarHBondContact O-N 3.47Å; A90-Q94 VanDerWaalsContact O-N 3.09Å; Q94-Q96 PolarHBondContact O-N 3.42Å; Q94-Q97 PolarHBondContact O-N 3.13Å; Q94-Q98 PolarHBondContact O-N 3.47Å; Q94-Q98 VanDerWaalsContact O-N 3.09Å |
| 95 | K | 42.7 | Very low | 41.3 | Very low | 134 Ų | 134 | 115.8 Ų | 115.8 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.4 | -38.5 | 175.5 | -81.3 | -169.6 | -178.6 | -171.5 | 0 | 112.5 | H91 F92 Q97 Q98 T99 | H91-K95 PolarHBondContact O-N 3.06Å; F92-K95 PolarHBondContact O-N 3.04Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 3.36Å; K95-Q98 PolarHBondContact O-N 3.37Å; K95-T99 WeakPolarHBondContact O-CB 3.38Å; K95-T99 PolarHBondContact O-N 3.47Å; K95-T99 PolarHBondContact O-OG1 3.3Å |
| 96 | Q | 46.1 | Very low | 41.6 | Very low | 142 Ų | 142 | 120.3 Ų | 120.3 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.2 | -31.8 | 175.9 | -67.9 | -147.1 | -3.9 | 0 | 0 | 113.2 | F92 A93 Q94 Q98 R100 | F92-Q96 PolarHBondContact O-N 3.49Å; A93-Q96 PolarHBondContact O-N 3.02Å; Q94-Q96 PolarHBondContact O-N 3.42Å; Q96-Q98 VanDerWaalsContact C-N 3.34Å; Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 3.33Å; Q96-R100 VanDerWaalsContact O-N 3.11Å |
| 97 | Q | 45.4 | Very low | 41.8 | Very low | 145 Ų | 145 | 119.3 Ų | 119.3 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.8 | -20 | 173.4 | -68.3 | -167.4 | 3.6 | 0 | 0 | 113.7 | A93 Q94 K95 | A93-Q97 PolarHBondContact O-N 3.02Å; Q94-Q97 PolarHBondContact O-N 3.13Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 3.36Å |
| 98 | Q | 43.9 | Very low | 41.5 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 62% | 0.617 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -88.4 | -37.2 | 171.4 | -71.1 | 179.4 | -2.1 | 0 | 0 | 111.8 | Q94 K95 Q96 R100 W101 A102 | Q94-Q98 PolarHBondContact O-N 3.47Å; Q94-Q98 VanDerWaalsContact O-N 3.09Å; K95-Q98 PolarHBondContact O-N 3.37Å; Q96-Q98 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.44Å; Q98-W101 PolarHBondContact O-N 3.47Å; Q98-A102 PolarHBondContact O-N 3.37Å |
| 99 | T | 42.8 | Very low | 41.5 | Very low | 83 Ų | 83 | 117.1 Ų | 117.1 | 51% | 0.509 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.8 | -30.1 | 178.6 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | K95 W101 A102 | K95-T99 WeakPolarHBondContact O-CB 3.38Å; K95-T99 PolarHBondContact O-N 3.47Å; K95-T99 PolarHBondContact O-OG1 3.3Å; T99-W101 PolarHBondContact O-N 2.98Å; T99-W101 VanDerWaalsContact O-N 3.16Å; T99-A102 PolarHBondContact O-N 3.09Å; T99-A102 VanDerWaalsContact O-N 3.15Å |
| 100 | R | 38.7 | Very low | 42 | Very low | 210 Ų | 210 | 122.2 Ų | 122.2 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -14.1 | 173.4 | -174.8 | 161.5 | 169.7 | -97.3 | -0.9 | 113.7 | Q96 Q98 | Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 3.33Å; Q96-R100 VanDerWaalsContact O-N 3.11Å; Q98-R100 PolarHBondContact O-N 3.44Å |
| 101 | W | 38.8 | Very low | 42 | Very low | 205 Ų | 205 | 126.7 Ų | 126.7 | 78% | 0.777 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -5.3 | 176.4 | -63.5 | 71.6 | 0 | 0 | 0 | 112.9 | Q98 T99 | Q98-W101 PolarHBondContact O-N 3.47Å; T99-W101 PolarHBondContact O-N 2.98Å; T99-W101 VanDerWaalsContact O-N 3.16Å |
| 102 | A | 39.2 | Very low | 41.8 | Very low | 76 Ų | 76 | 125 Ų | 125 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -102.4 | 2.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q98 T99 | Q98-A102 PolarHBondContact O-N 3.37Å; T99-A102 PolarHBondContact O-N 3.09Å; T99-A102 VanDerWaalsContact O-N 3.15Å |
| 103 | C | 36.8 | Very low | 41.9 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -120.1 | 79.9 | 176 | -56 | 0 | 0 | 0 | 0 | 109.1 | | |
| 104 | G | 39.6 | Very low | 42 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 150.1 | 13.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 105 | D | 40.4 | Very low | 42.1 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | | | trans | -118.7 | 56.3 | 172 | -165.3 | 31.6 | 0 | 0 | 0 | 110.4 | G107 | D105-G107 PolarHBondContact O-N 3.31Š|
| 106 | D | 41.4 | Very low | 42 | Very low | 168 Ų | 168 | 133 Ų | 133 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | | | trans | -77.5 | 79.4 | 166.5 | -63.4 | -39.5 | 0 | 0 | 0 | 108.2 | | |
| 107 | G | 47 | Very low | 42 | Very low | 45 Ų | 45 | 134.3 Ų | 134.3 | 46% | 0.464 | 71% | 0.709 | S | S | . | * | S | Bend | trans | 48.9 | 97.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | D105 | D105-G107 PolarHBondContact O-N 3.31Š|
| 108 | H | 36.7 | Very low | 41.8 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | | | | -155.2 | 132.4 | 126.6 | -79.1 | -54.9 | 0 | 0 | 0 | 108.4 | | |
| 109 | G | 36.4 | Very low | 41.7 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | | | trans | -49.5 | 150.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D111 | G109-D111 VanDerWaalsContact C-N 3.29Å; G109-D111 PolarHBondContact O-N 3.17Å |
| 110 | I | 50.4 | Low | 41.5 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -53 | 93.6 | 161.4 | -57.9 | 175.7 | 0 | 0 | 0 | 108.2 | | |
| 111 | D | 42 | Very low | 41.8 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | | | trans | -165.9 | 99.9 | 153.6 | -106 | -31.6 | 0 | 0 | 0 | 108.5 | G109 | G109-D111 VanDerWaalsContact C-N 3.29Å; G109-D111 PolarHBondContact O-N 3.17Å |
| 112 | N | 37.2 | Very low | 41.7 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 45% | 0.449 | 73% | 0.726 | S | S | . | * | | | trans | 164 | 100.2 | 136 | -164.5 | 72 | 0 | 0 | 0 | 110 | D114 K115 | N112-D114 WeakPolarHBondContact ND2-CB 3.47Å; N112-D114 PolarHBondContact ND2-N 3.41Å; N112-D114 PolarHBondContact O-N 2.96Å; N112-D114 VanDerWaalsContact O-N 3.08Å; N112-K115 HydrophobicContact CB-CG 4.4Å |
| 113 | P | 47 | Very low | 41.7 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -67 | -8.9 | -178.2 | 27 | -33 | 0 | 0 | 0 | 114.2 | K115 | P113-K115 PolarHBondContact O-N 3.05Š|
| 114 | D | 45.5 | Very low | 42 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -85.3 | -1.8 | -176.8 | -61.2 | -44.1 | 0 | 0 | 0 | 115 | N112 W116 | N112-D114 WeakPolarHBondContact ND2-CB 3.47Å; N112-D114 PolarHBondContact ND2-N 3.41Å; N112-D114 PolarHBondContact O-N 2.96Å; N112-D114 VanDerWaalsContact O-N 3.08Å; D114-W116 VanDerWaalsContact C-N 3.33Å |
| 115 | K | 45.3 | Very low | 42.1 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -78.3 | -15.6 | 179 | -63.2 | -81 | -173.9 | 175 | 0 | 113.1 | N112 P113 K117 | N112-K115 HydrophobicContact CB-CG 4.4Å; P113-K115 PolarHBondContact O-N 3.05Å; K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 PolarHBondContact O-N 3.04Å |
| 116 | W | 42.4 | Very low | 42.2 | Very low | 220 Ų | 220 | 136.3 Ų | 136.3 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -78.4 | -8.8 | -178.7 | -55.8 | -17.5 | 0 | 0 | 0 | 113.9 | D114 Y118 | D114-W116 VanDerWaalsContact C-N 3.33Å; W116-Y118 VanDerWaalsContact C-N 3.26Å; W116-Y118 PolarHBondContact O-N 3.29Å |
| 117 | K | 45.5 | Very low | 42.1 | Very low | 171 Ų | 171 | 133 Ų | 133 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -82.1 | -0.2 | -178 | -149 | 163.7 | 75.3 | -173.5 | 0 | 114.3 | K115 | K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 PolarHBondContact O-N 3.04Å |
| 118 | Y | 41.1 | Very low | 41.5 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | trans | -133.6 | 71.4 | 173.6 | -70.5 | -80 | 0 | 0 | 0 | 111 | W116 | W116-Y118 VanDerWaalsContact C-N 3.26Å; W116-Y118 PolarHBondContact O-N 3.29Å |
| 119 | N | 41.2 | Very low | 41.4 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | trans | -112.3 | 113.8 | 153.4 | -158.6 | 52.7 | 0 | 0 | 0 | 106.8 | | |
| 120 | P | 39.7 | Very low | 41.3 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | trans | -61.4 | 151.2 | 170.1 | 28.4 | -30.8 | 0 | 0 | 0 | 108.1 | M122 | P120-M122 PolarHBondContact O-N 3.07Š|
| 121 | P | 43.6 | Very low | 40.7 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | | | trans | -60.5 | 111.2 | -179.2 | 24.3 | -31.4 | 0 | 0 | 0 | 108.6 | N123 | P121-N123 PolarHBondContact O-N 3.49Š|
| 122 | M | 38.2 | Very low | 40.6 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | trans | -60.5 | 108.9 | 166 | -83.1 | -142.5 | -65.2 | 0 | 0 | 107.2 | P120 | P120-M122 PolarHBondContact O-N 3.07Š|
| 123 | N | 39.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | trans | -58.6 | 126.6 | 171.2 | -170.7 | 5.8 | 0 | 0 | 0 | 108.3 | P121 A125 | P121-N123 PolarHBondContact O-N 3.49Å; N123-A125 PolarHBondContact O-N 3.34Å |
| 124 | P | 41.6 | Very low | 40.2 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -63.9 | 3.4 | -178.3 | -21.8 | 32.6 | 0 | 0 | 0 | 115.5 | N126 | P124-N126 PolarHBondContact O-N 2.97Š|
| 125 | A | 42 | Very low | 39.8 | Very low | 77 Ų | 77 | 130 Ų | 130 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -80.2 | -4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N123 | N123-A125 PolarHBondContact O-N 3.34Š|
| 126 | N | 43 | Very low | 39.4 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -128.3 | 22.8 | -170.4 | -146.5 | 73.3 | 0 | 0 | 0 | 116.7 | P124 | P124-N126 PolarHBondContact O-N 2.97Š|
| 127 | A | 38.9 | Very low | 39.2 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | -108.3 | 34.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 128 | A | 34.6 | Very low | 39.1 | Very low | 83 Ų | 83 | 121 Ų | 121 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -91.6 | 135.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 129 | P | 34.8 | Very low | 38.7 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.9 | 174.3 | -21.8 | 32.1 | 0 | 0 | 0 | 111.4 | G131 | P129-G131 PolarHBondContact O-N 3.47Š|
| 130 | G | 34.5 | Very low | 38.3 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 129.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 131 | G | 38.2 | Very low | 38.5 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 159.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P129 | P129-G131 PolarHBondContact O-N 3.47Š|
| 132 | P | 39.8 | Very low | 38 | Very low | 123 Ų | 123 | 111.2 Ų | 111.2 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 156.7 | -171.9 | 28.6 | -33.9 | 0 | 0 | 0 | 112.5 | G134 | P132-G134 PolarHBondContact O-N 3Å; P132-G134 VanDerWaalsContact O-N 3.1Å |
| 133 | P | 40.3 | Very low | 38.5 | Very low | 138 Ų | 138 | 108.6 Ų | 108.6 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | | | trans | -70.4 | 111.1 | -168 | 28.2 | -32.4 | 0 | 0 | 0 | 111 | | |
| 134 | G | 34.3 | Very low | 38.5 | Very low | 73 Ų | 73 | 109.4 Ų | 109.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -106.9 | 128.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P132 | P132-G134 PolarHBondContact O-N 3Å; P132-G134 VanDerWaalsContact O-N 3.1Å |
| 135 | N | 38.4 | Very low | 38.3 | Very low | 175 Ų | 175 | 106.3 Ų | 106.3 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | | | trans | -50.5 | 146.6 | -176.6 | -146.4 | 41.1 | 0 | 0 | 0 | 114.6 | | |
| 136 | G | 36.3 | Very low | 38.6 | Very low | 63 Ų | 63 | 110 Ų | 110 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | | | trans | -73 | 160 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 137 | S | 36.8 | Very low | 38.6 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | 175.6 | 136.8 | 135.5 | -80 | 0 | 0 | 0 | 0 | 109.6 | | |
| 138 | N | 44.1 | Very low | 38.5 | Very low | 178 Ų | 178 | 108 Ų | 108 | 95% | 0.952 | 79% | 0.792 | S | S | * | * | | | trans | -43.5 | 135.7 | 175.6 | -73.7 | -32.4 | 0 | 0 | 0 | 113.9 | | |
| 139 | G | 33.8 | Very low | 38.9 | Very low | 75 Ų | 75 | 113.8 Ų | 113.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | 166.6 | 119.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 140 | G | 31.9 | Very low | 39.1 | Very low | 69 Ų | 69 | 111.2 Ų | 111.2 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -66.6 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G142 | G140-G142 PolarHBondContact O-N 3.09Š|
| 141 | P | 43.7 | Very low | 39.4 | Very low | 144 Ų | 144 | 113.4 Ų | 113.4 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | | | trans | -77.3 | 99.5 | -170.7 | 31.1 | -31.6 | 0 | 0 | 0 | 111 | | |
| 142 | G | 34.2 | Very low | 39.5 | Very low | 60 Ų | 60 | 113.5 Ų | 113.5 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | | | trans | -88.8 | 124.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G140 I144 | G140-G142 PolarHBondContact O-N 3.09Å; G142-I144 PolarHBondContact O-N 3.34Å; G142-I144 VanDerWaalsContact O-N 3.13Å |
| 143 | A | 47.4 | Very low | 39.6 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -63.5 | 109.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 144 | I | 40.2 | Very low | 39.4 | Very low | 147 Ų | 147 | 113.3 Ų | 113.3 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | -121.2 | 125.7 | 171.1 | -60.1 | -173.4 | 0 | 0 | 0 | 107.7 | G142 I147 | G142-I144 PolarHBondContact O-N 3.34Å; G142-I144 VanDerWaalsContact O-N 3.13Å; I144-I147 HydrophobicContact CG2-CD1 4.31Å |
| 145 | G | 36.1 | Very low | 39.8 | Very low | 59 Ų | 59 | 114 Ų | 114 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | | | trans | -66.2 | 178.8 | -162 | 0 | 0 | 0 | 0 | 0 | 116.2 | I147 | G145-I147 PolarHBondContact O-N 3.41Š|
| 146 | T | 49.3 | Very low | 39.6 | Very low | 153 Ų | 153 | 109.9 Ų | 109.9 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | | | trans | -50.9 | 94 | 170.4 | 46.6 | 0 | 0 | 0 | 0 | 111 | G148 | T146-G148 PolarHBondContact O-N 3.35Š|
| 147 | I | 42.2 | Very low | 39.5 | Very low | 147 Ų | 147 | 110.6 Ų | 110.6 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | | | trans | -88.8 | 103.6 | 166.6 | -63.5 | 171.2 | 0 | 0 | 0 | 106.2 | I144 G145 M149 | I144-I147 HydrophobicContact CG2-CD1 4.31Å; G145-I147 PolarHBondContact O-N 3.41Å; I147-M149 PolarHBondContact O-N 3.47Å |
| 148 | G | 38.6 | Very low | 39.4 | Very low | 70 Ų | 70 | 108.8 Ų | 108.8 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | trans | -58.2 | 128.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T146 G150 | T146-G148 PolarHBondContact O-N 3.35Å; G148-G150 PolarHBondContact O-N 3.41Å |
| 149 | M | 43 | Very low | 39 | Very low | 204 Ų | 204 | 104.3 Ų | 104.3 | 100% | 1.005 | 82% | 0.819 | S | S | * | * | | | trans | -76.4 | 110.1 | 161.2 | -75.5 | -176.5 | -178.9 | 0 | 0 | 107.9 | I147 | I147-M149 PolarHBondContact O-N 3.47Š|
| 150 | G | 38.9 | Very low | 39.1 | Very low | 72 Ų | 72 | 104.6 Ų | 104.6 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | trans | -177.5 | 71.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G148 G152 | G148-G150 PolarHBondContact O-N 3.41Å; G150-G152 PolarHBondContact O-N 3.12Å |
| 151 | S | 40.2 | Very low | 39.4 | Very low | 130 Ų | 130 | 106.7 Ų | 106.7 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | | | trans | -64.8 | 122 | 163.9 | -164.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 152 | G | 38.9 | Very low | 39 | Very low | 69 Ų | 69 | 103.5 Ų | 103.5 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | | | trans | -178 | 89.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G150 | G150-G152 PolarHBondContact O-N 3.12Š|
| 153 | L | 42.5 | Very low | 39.3 | Very low | 181 Ų | 181 | 104.9 Ų | 104.9 | 95% | 0.948 | 84% | 0.84 | S | S | * | * | | | trans | -52.4 | 133.3 | 160.1 | -85.3 | 70 | 0 | 0 | 0 | 110.1 | | |
| 154 | G | 35.8 | Very low | 38.7 | Very low | 76 Ų | 76 | 103.2 Ų | 103.2 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | | | trans | 162.7 | 114.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 155 | G | 43.7 | Very low | 38.9 | Very low | 88 Ų | 88 | 104 Ų | 104 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | | | trans | -61.9 | 145.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 156 | G | 33.7 | Very low | 39.2 | Very low | 88 Ų | 88 | 109.1 Ų | 109.1 | 91% | 0.907 | 85% | 0.853 | S | S | * | * | | | trans | -112.1 | 82.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 157 | G | 35.3 | Very low | 38.5 | Very low | 77 Ų | 77 | 105.7 Ų | 105.7 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | | | trans | -94.4 | 127.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 158 | G | 34.8 | Very low | 38.2 | Very low | 87 Ų | 87 | 102.6 Ų | 102.6 | 90% | 0.897 | 85% | 0.852 | S | S | * | * | | | trans | -69.5 | 175.9 | -162 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 159 | G | 35.4 | Very low | 38.1 | Very low | 84 Ų | 84 | 105.2 Ų | 105.2 | 87% | 0.866 | 86% | 0.859 | S | S | * | * | | | trans | 134.9 | 129.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 160 | G | 34.4 | Very low | 38.2 | Very low | 82 Ų | 82 | 98.4 Ų | 98.4 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | | | trans | 116 | 110.9 | 144 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 161 | A | 39 | Very low | 38.4 | Very low | 113 Ų | 113 | 101 Ų | 101 | 93% | 0.934 | 84% | 0.843 | S | S | * | * | | | trans | -44.3 | 157.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 162 | G | 36 | Very low | 38.6 | Very low | 77 Ų | 77 | 102.5 Ų | 102.5 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | | | trans | 145.2 | 116.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 163 | G | 40 | Very low | 38.7 | Very low | 89 Ų | 89 | 103 Ų | 103 | 92% | 0.918 | 85% | 0.845 | S | S | * | * | | | trans | -62.2 | 159.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 164 | G | 35.8 | Very low | 39.1 | Very low | 74 Ų | 74 | 97.2 Ų | 97.2 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | | | trans | 171.8 | 103.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 165 | N | 43.3 | Very low | 39.6 | Very low | 163 Ų | 163 | 101.6 Ų | 101.6 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | | | trans | -56.5 | 150.9 | 157.8 | -71.2 | 6.4 | 0 | 0 | 0 | 109.7 | | |
| 166 | N | 41.9 | Very low | 39.7 | Very low | 168 Ų | 168 | 104.9 Ų | 104.9 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | | | trans | 96.6 | 101.2 | 171.8 | -72.4 | 4.6 | 0 | 0 | 0 | 117.4 | | |
| 167 | G | 34.5 | Very low | 40.2 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | -138.2 | 76.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108 | S169 | G167-S169 PolarHBondContact O-N 2.99Š|
| 168 | G | 36.6 | Very low | 40.6 | Very low | 82 Ų | 82 | 113.3 Ų | 113.3 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | trans | -67 | 128.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 169 | S | 37.4 | Very low | 40.9 | Very low | 126 Ų | 126 | 113.3 Ų | 113.3 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | | | trans | -119.8 | 97.5 | 150.6 | -171.5 | 0 | 0 | 0 | 0 | 106.4 | G167 | G167-S169 PolarHBondContact O-N 2.99Š|
| 170 | G | 43.4 | Very low | 41.3 | Very low | 60 Ų | 60 | 116.1 Ų | 116.1 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | | | trans | -81.7 | 152.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 171 | T | 43.8 | Very low | 41.6 | Very low | 128 Ų | 128 | 115.5 Ų | 115.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | 89.9 | 117 | 146.6 | 1.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 172 | N | 45.3 | Very low | 41.7 | Very low | 160 Ų | 160 | 113.1 Ų | 113.1 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | 93.7 | 77.7 | 150.9 | -57.4 | -27.2 | 0 | 0 | 0 | 118.7 | | |
| 173 | G | 41 | Very low | 42.1 | Very low | 79 Ų | 79 | 111.9 Ų | 111.9 | 81% | 0.814 | 75% | 0.749 | S | S | * | * | | | trans | -150.3 | 37.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 174 | G | 49.3 | Very low | 42.1 | Very low | 61 Ų | 61 | 110.5 Ų | 110.5 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | | | trans | -70.3 | 149.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 175 | L | 47.6 | Very low | 42.4 | Very low | 168 Ų | 168 | 110 Ų | 110 | 88% | 0.88 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 95.8 | 2.2 | 159.9 | -51.8 | 173.2 | 0 | 0 | 0 | 120.3 | | |
| 176 | H | 45.7 | Very low | 42.4 | Very low | 156 Ų | 156 | 107.3 Ų | 107.3 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -114.8 | 9.8 | -178.4 | -75.1 | -91.4 | 0 | 0 | 0 | 117.1 | | |
| 177 | H | 43.2 | Very low | 42.4 | Very low | 165 Ų | 165 | 105.3 Ų | 105.3 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -124.3 | 1.6 | -179.2 | -80.5 | -88.4 | 0 | 0 | 0 | 116.2 | | |
| 178 | Q | 45.3 | Very low | 42.6 | Very low | 177 Ų | 177 | 104 Ų | 104 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -84.2 | -22.6 | 173.7 | -83.2 | -179.8 | 1.7 | 0 | 0 | 113.6 | | |
| 179 | S | 40.8 | Very low | 42.8 | Very low | 87 Ų | 87 | 102.5 Ų | 102.5 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.1 | -30.5 | -176.7 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | A183 | S179-A183 WeakPolarHBondContact O-CB 3.4Å; S179-A183 PolarHBondContact O-N 3.4Å |
| 180 | M | 42 | Very low | 43 | Very low | 144 Ų | 144 | 102.6 Ų | 102.6 | 71% | 0.709 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.7 | -34.7 | 177.8 | -80.7 | -168.9 | -158.5 | 0 | 0 | 113.4 | A182 A183 A184 | M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A183 PolarHBondContact O-N 3.42Å; M180-A184 PolarHBondContact O-N 3.49Å; M180-A184 VanDerWaalsContact O-N 3.08Å |
| 181 | A | 42.2 | Very low | 43.2 | Very low | 69 Ų | 69 | 106.8 Ų | 106.8 | 57% | 0.57 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67 | -37.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A185 | A181-A185 PolarHBondContact O-N 3.43Å |
| 182 | A | 41.5 | Very low | 43.4 | Very low | 63 Ų | 63 | 107.3 Ų | 107.3 | 52% | 0.521 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.5 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | M180 N186 | M180-A182 VanDerWaalsContact C-N 3.34Å; A182-N186 WeakPolarHBondContact O-CB 3.45Å; A182-N186 PolarHBondContact O-N 3.28Å; A182-N186 VanDerWaalsContact O-N 3.15Å |
| 183 | A | 42.9 | Very low | 43.2 | Very low | 50 Ų | 50 | 102.5 Ų | 102.5 | 41% | 0.413 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.3 | -35.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | S179 M180 N186 M187 | S179-A183 WeakPolarHBondContact O-CB 3.4Å; S179-A183 PolarHBondContact O-N 3.4Å; M180-A183 PolarHBondContact O-N 3.42Å; A183-N186 PolarHBondContact O-N 3.45Å; A183-M187 WeakPolarHBondContact O-CE 3.5Å; A183-M187 PolarHBondContact O-N 3.47Å |
| 184 | A | 39.8 | Very low | 43.3 | Very low | 61 Ų | 61 | 101.8 Ų | 101.8 | 50% | 0.504 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.2 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M180 N186 M187 A188 | M180-A184 PolarHBondContact O-N 3.49Å; M180-A184 VanDerWaalsContact O-N 3.08Å; A184-N186 VanDerWaalsContact C-N 3.33Å; A184-N186 PolarHBondContact O-N 3.24Å; A184-M187 PolarHBondContact O-N 3.17Å; A184-A188 PolarHBondContact O-N 3.09Å |
| 185 | A | 42.8 | Very low | 42.8 | Very low | 64 Ų | 64 | 101.9 Ų | 101.9 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.6 | -36.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A181 A188 A189 | A181-A185 PolarHBondContact O-N 3.43Å; A185-A188 PolarHBondContact O-N 3Å; A185-A189 PolarHBondContact O-N 3.11Å |
| 186 | N | 43.7 | Very low | 42.7 | Very low | 105 Ų | 105 | 99.1 Ų | 99.1 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.3 | -30.6 | 179.8 | -151.7 | 16.4 | 0 | 0 | 0 | 113 | A182 A183 A184 M190 | A182-N186 WeakPolarHBondContact O-CB 3.45Å; A182-N186 PolarHBondContact O-N 3.28Å; A182-N186 VanDerWaalsContact O-N 3.15Å; A183-N186 PolarHBondContact O-N 3.45Å; A184-N186 VanDerWaalsContact C-N 3.33Å; A184-N186 PolarHBondContact O-N 3.24Å; N186-M190 PolarHBondContact O-N 3.33Å |
| 187 | M | 40.8 | Very low | 42.6 | Very low | 126 Ų | 126 | 94.5 Ų | 94.5 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.7 | -36.3 | 173.2 | -91 | -179 | -83 | 0 | 0 | 113.2 | A183 A184 M190 Q191 | A183-M187 WeakPolarHBondContact O-CE 3.5Å; A183-M187 PolarHBondContact O-N 3.47Å; A184-M187 PolarHBondContact O-N 3.17Å; M187-M190 PolarHBondContact O-N 2.98Å; M187-Q191 PolarHBondContact O-N 3.3Å |
| 188 | A | 38.8 | Very low | 42.5 | Very low | 52 Ų | 52 | 94.1 Ų | 94.1 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -38 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A184 A185 Q191 Q192 | A184-A188 PolarHBondContact O-N 3.09Å; A185-A188 PolarHBondContact O-N 3Å; A188-Q191 PolarHBondContact O-N 3.42Å; A188-Q192 PolarHBondContact O-N 3.23Å |
| 189 | A | 42.6 | Very low | 42.1 | Very low | 51 Ų | 51 | 91 Ų | 91 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -37 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A185 Q192 A193 | A185-A189 PolarHBondContact O-N 3.11Å; A189-Q192 PolarHBondContact O-N 3.47Å; A189-A193 PolarHBondContact O-N 3.27Å; A189-A193 VanDerWaalsContact O-N 3.12Å |
| 190 | M | 40 | Very low | 42.2 | Very low | 128 Ų | 128 | 91.7 Ų | 91.7 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.6 | -34.5 | 174.9 | -83.5 | -172.1 | -177.6 | 0 | 0 | 113.4 | N186 M187 A193 A194 | N186-M190 PolarHBondContact O-N 3.33Å; M187-M190 PolarHBondContact O-N 2.98Å; M190-A193 PolarHBondContact O-N 3.43Å; M190-A194 WeakPolarHBondContact O-CB 3.49Å; M190-A194 PolarHBondContact O-N 2.87Å |
| 191 | Q | 48.8 | Very low | 42.3 | Very low | 148 Ų | 148 | 91.2 Ų | 91.2 | 69% | 0.692 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69 | -34.4 | 175.9 | -79.9 | 176.6 | -4.9 | 0 | 0 | 112.5 | M187 A188 A194 A195 | M187-Q191 PolarHBondContact O-N 3.3Å; A188-Q191 PolarHBondContact O-N 3.42Å; Q191-A194 PolarHBondContact O-N 3.5Å; Q191-A195 WeakPolarHBondContact O-CB 3.47Å; Q191-A195 PolarHBondContact O-N 3.49Å |
| 192 | Q | 47.6 | Very low | 42.1 | Very low | 140 Ų | 140 | 94 Ų | 94 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.1 | -37.8 | 173.5 | -72.5 | 178.1 | -22.6 | 0 | 0 | 112.1 | A188 A189 A195 L196 | A188-Q192 PolarHBondContact O-N 3.23Å; A189-Q192 PolarHBondContact O-N 3.47Å; Q192-A195 PolarHBondContact O-N 3.22Å; Q192-L196 WeakPolarHBondContact O-CG 3.5Å; Q192-L196 PolarHBondContact O-N 3.19Å |
| 193 | A | 41.7 | Very low | 42.2 | Very low | 59 Ų | 59 | 95.5 Ų | 95.5 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A189 M190 A197 | A189-A193 PolarHBondContact O-N 3.27Å; A189-A193 VanDerWaalsContact O-N 3.12Å; M190-A193 PolarHBondContact O-N 3.43Å; A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.15Å |
| 194 | A | 42 | Very low | 42.3 | Very low | 63 Ų | 63 | 96.7 Ų | 96.7 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.6 | -34.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M190 Q191 K198 | M190-A194 WeakPolarHBondContact O-CB 3.49Å; M190-A194 PolarHBondContact O-N 2.87Å; Q191-A194 PolarHBondContact O-N 3.5Å; A194-K198 PolarHBondContact O-N 3.27Å |
| 195 | A | 39.2 | Very low | 42.6 | Very low | 63 Ų | 63 | 100.4 Ų | 100.4 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.7 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q191 Q192 K198 H199 | Q191-A195 WeakPolarHBondContact O-CB 3.47Å; Q191-A195 PolarHBondContact O-N 3.49Å; Q192-A195 PolarHBondContact O-N 3.22Å; A195-K198 PolarHBondContact O-N 3.28Å; A195-H199 PolarHBondContact O-N 3.49Å; A195-H199 VanDerWaalsContact O-N 3.07Å |
| 196 | L | 44.8 | Very low | 42.7 | Very low | 111 Ų | 111 | 100.5 Ų | 100.5 | 58% | 0.581 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 173.9 | -77.8 | 160.5 | 0 | 0 | 0 | 112.5 | Q192 H199 N200 | Q192-L196 WeakPolarHBondContact O-CG 3.5Å; Q192-L196 PolarHBondContact O-N 3.19Å; L196-H199 PolarHBondContact O-N 3.42Å; L196-N200 PolarHBondContact O-N 3.19Å |
| 197 | A | 44.4 | Very low | 42.7 | Very low | 59 Ų | 59 | 98.8 Ų | 98.8 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.1 | -39.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A193 H199 N200 H201 | A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.15Å; A197-H199 VanDerWaalsContact C-N 3.33Å; A197-H199 PolarHBondContact O-N 3.23Å; A197-N200 PolarHBondContact O-N 3.28Å; A197-H201 PolarHBondContact O-N 3.11Å |
| 198 | K | 40.8 | Very low | 42.9 | Very low | 156 Ų | 156 | 95.8 Ų | 95.8 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -30.8 | 175.2 | -157.3 | 179.4 | -175.8 | -174.1 | 0 | 112.5 | A194 A195 M202 | A194-K198 PolarHBondContact O-N 3.27Å; A195-K198 PolarHBondContact O-N 3.28Å; K198-M202 PolarHBondContact O-N 3.15Å |
| 199 | H | 37.7 | Very low | 43.3 | Very low | 112 Ų | 112 | 96.2 Ų | 96.2 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.9 | -43.5 | 174.9 | -168.7 | -124.7 | 0 | 0 | 0 | 112.2 | A195 L196 A197 H201 M202 I203 | A195-H199 PolarHBondContact O-N 3.49Å; A195-H199 VanDerWaalsContact O-N 3.07Å; L196-H199 PolarHBondContact O-N 3.42Å; A197-H199 VanDerWaalsContact C-N 3.33Å; A197-H199 PolarHBondContact O-N 3.23Å; H199-H201 PolarHBondContact O-N 3.16Å; H199-M202 PolarHBondContact O-N 3.4Å; H199-I203 PolarHBondContact O-N 3.26Å |
| 200 | N | 43 | Very low | 43.6 | Very low | 102 Ų | 102 | 98.2 Ų | 98.2 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.5 | -36.5 | 175.2 | -86.2 | -33.4 | 0 | 0 | 0 | 112.8 | L196 A197 M202 I203 S204 | L196-N200 PolarHBondContact O-N 3.19Å; A197-N200 PolarHBondContact O-N 3.28Å; N200-M202 VanDerWaalsContact C-N 3.3Å; N200-M202 PolarHBondContact O-N 3.08Å; N200-I203 PolarHBondContact O-N 2.96Å; N200-S204 PolarHBondContact O-N 3.38Å; N200-S204 VanDerWaalsContact O-N 3.13Å; N200-S204 PolarHBondContact O-OG 3.47Å |
| 201 | H | 43.6 | Very low | 44 | Very low | 133 Ų | 133 | 95.6 Ų | 95.6 | 62% | 0.616 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.8 | -30.5 | -179.4 | -139.5 | -21.2 | 0 | 0 | 0 | 113.3 | A197 H199 Q205 | A197-H201 PolarHBondContact O-N 3.11Å; H199-H201 PolarHBondContact O-N 3.16Å; H201-Q205 PolarHBondContact O-N 3.46Å |
| 202 | M | 38.4 | Very low | 43.8 | Very low | 128 Ų | 128 | 92 Ų | 92 | 63% | 0.631 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76 | -36.2 | 177.1 | -134.7 | -174.4 | -54.4 | 0 | 0 | 112.1 | K198 H199 N200 Q205 | K198-M202 PolarHBondContact O-N 3.15Å; H199-M202 PolarHBondContact O-N 3.4Å; N200-M202 VanDerWaalsContact C-N 3.3Å; N200-M202 PolarHBondContact O-N 3.08Å; M202-Q205 PolarHBondContact O-N 3.37Å |
| 203 | I | 43.7 | Very low | 43.7 | Very low | 94 Ų | 94 | 93.2 Ų | 93.2 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.9 | -36 | 176.2 | -72.4 | 170.1 | 0 | 0 | 0 | 111.3 | H199 N200 A206 A207 | H199-I203 PolarHBondContact O-N 3.26Å; N200-I203 PolarHBondContact O-N 2.96Å; I203-A206 PolarHBondContact O-N 2.85Å; I203-A207 PolarHBondContact O-N 3.39Å |
| 204 | S | 43.8 | Very low | 44 | Very low | 76 Ų | 76 | 98.5 Ų | 98.5 | 53% | 0.531 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.6 | -25.2 | 177.7 | -64 | 0 | 0 | 0 | 0 | 114.5 | N200 A208 | N200-S204 PolarHBondContact O-N 3.38Å; N200-S204 VanDerWaalsContact O-N 3.13Å; N200-S204 PolarHBondContact O-OG 3.47Å; S204-A208 PolarHBondContact O-N 3.08Å |
| 205 | Q | 46.3 | Very low | 44.2 | Very low | 139 Ų | 139 | 103.9 Ų | 103.9 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.8 | -30.6 | 172.5 | -77.1 | -173.8 | 19.3 | 0 | 0 | 112.5 | H201 M202 A209 | H201-Q205 PolarHBondContact O-N 3.46Å; M202-Q205 PolarHBondContact O-N 3.37Å; Q205-A209 PolarHBondContact O-N 2.87Å |
| 206 | A | 45.8 | Very low | 44.3 | Very low | 65 Ų | 65 | 109.1 Ų | 109.1 | 54% | 0.537 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.9 | -32.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I203 | I203-A206 PolarHBondContact O-N 2.85Å |
| 207 | A | 43.8 | Very low | 44 | Very low | 69 Ų | 69 | 112.5 Ų | 112.5 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.3 | -33.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I203 | I203-A207 PolarHBondContact O-N 3.39Å |
| 208 | A | 45.2 | Very low | 43.6 | Very low | 63 Ų | 63 | 117.9 Ų | 117.9 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -74.2 | -27.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S204 V210 A212 | S204-A208 PolarHBondContact O-N 3.08Å; A208-V210 VanDerWaalsContact C-N 3.34Å; A208-A212 PolarHBondContact O-N 3.47Å |
| 209 | A | 45.7 | Very low | 43.7 | Very low | 61 Ų | 61 | 116.5 Ų | 116.5 | 50% | 0.504 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.2 | -28.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q205 | Q205-A209 PolarHBondContact O-N 2.87Å |
| 210 | V | 50.4 | Low | 43.7 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.3 | -32 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | A208 Q213 | A208-V210 VanDerWaalsContact C-N 3.34Å; V210-Q213 PolarHBondContact O-N 3.39Å |
| 211 | A | 46.4 | Very low | 43.5 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.6 | -29.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q213 | A211-Q213 VanDerWaalsContact C-N 3.32Å; A211-Q213 PolarHBondContact O-N 2.97Å |
| 212 | A | 45.6 | Very low | 43.2 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 60% | 0.595 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -16.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A208 | A208-A212 PolarHBondContact O-N 3.47Š|
| 213 | Q | 45.4 | Very low | 42.9 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 77% | 0.771 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -12.8 | -179.1 | -108.6 | -179.7 | -4.5 | 0 | 0 | 114.7 | V210 A211 | V210-Q213 PolarHBondContact O-N 3.39Å; A211-Q213 VanDerWaalsContact C-N 3.32Å; A211-Q213 PolarHBondContact O-N 2.97Å |
| 214 | Q | 47.4 | Very low | 43 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -88.8 | -11.8 | -177.7 | -79.4 | -165.8 | 15.2 | 0 | 0 | 115.7 | | |
| 215 | Q | 46.6 | Very low | 42.6 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -91.9 | 0.9 | -177.6 | -83.1 | -161.5 | -36.7 | 0 | 0 | 116.2 | | |
| 216 | H | 42 | Very low | 42.1 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -103.2 | 13.2 | -174 | -88.2 | 86.9 | 0 | 0 | 0 | 116.5 | | |
| 217 | Q | 38.4 | Very low | 41.8 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | | | trans | -116.8 | 74.5 | 175.2 | -73.1 | -165.9 | 31.5 | 0 | 0 | 112.9 | | |
| 218 | H | 36.8 | Very low | 41.6 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | | | trans | -124.8 | 109.5 | 153.6 | -76.9 | -74.8 | 0 | 0 | 0 | 108.8 | H220 | H218-H220 PolarHBondContact O-N 3.49Š|
| 219 | P | 42.4 | Very low | 41.3 | Very low | 126 Ų | 126 | 151 Ų | 151 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -72.7 | 113.1 | 175.9 | 27.3 | -29.7 | 0 | 0 | 0 | 109.7 | Q221 | P219-Q221 PolarHBondContact O-N 2.91Š|
| 220 | H | 37.4 | Very low | 41.2 | Very low | 190 Ų | 190 | 156.7 Ų | 156.7 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | trans | -77.3 | 100.2 | 167.5 | -124.1 | 62.9 | 0 | 0 | 0 | 108.3 | H218 | H218-H220 PolarHBondContact O-N 3.49Š|
| 221 | Q | 38.1 | Very low | 40.6 | Very low | 175 Ų | 175 | 160.5 Ų | 160.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -72.1 | 134.3 | 167.4 | -92.5 | -175.2 | 16.7 | 0 | 0 | 110.3 | P219 | P219-Q221 PolarHBondContact O-N 2.91Š|
| 222 | Q | 36.8 | Very low | 40.2 | Very low | 174 Ų | 174 | 165.8 Ų | 165.8 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -69.8 | 140 | -179.4 | -62 | 169.7 | -15.1 | 0 | 0 | 111.9 | | |
| 223 | H | 34.1 | Very low | 39.8 | Very low | 183 Ų | 183 | 167 Ų | 167 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | | | trans | -141 | 109.7 | 150.2 | -85.7 | -86.3 | 0 | 0 | 0 | 109 | | |
| 224 | P | 44.7 | Very low | 39.5 | Very low | 103 Ų | 103 | 168.1 Ų | 168.1 | 67% | 0.669 | 82% | 0.82 | S | S | * | * | | | trans | -95 | 165.4 | 161.4 | 34.3 | -26 | 0 | 0 | 0 | 110.9 | | |
| 225 | Q | 36.6 | Very low | 38.9 | Very low | 180 Ų | 180 | 166.7 Ų | 166.7 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | | | trans | 81.5 | 122.6 | 176 | -81.9 | 160.3 | -22.8 | 0 | 0 | 115 | | |
| 226 | Q | 35.8 | Very low | 38.6 | Very low | 157 Ų | 157 | 166.9 Ų | 166.9 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | cis | -163.5 | 157 | 40.1 | -107.5 | 167.1 | 23 | 0 | 0 | 111.9 | | |
| 227 | Q | 38.5 | Very low | 38.3 | Very low | 169 Ų | 169 | 162.3 Ų | 162.3 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | | | trans | 64.4 | 114.6 | 152.7 | -71.7 | 169.3 | -5.9 | 0 | 0 | 117.6 | | |
| 228 | Q | 40.1 | Very low | 38.3 | Very low | 191 Ų | 191 | 162.7 Ų | 162.7 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | cis | 51.8 | 75.9 | 34.4 | -120.9 | -172.8 | 35 | 0 | 0 | 114.8 | | |
| 229 | Q | 38.9 | Very low | 39 | Very low | 185 Ų | 185 | 159 Ų | 159 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | -167.2 | 146.6 | 139.4 | -114.1 | 173.2 | 24.5 | 0 | 0 | 113.2 | | |
| 230 | Q | 41.9 | Very low | 38.9 | Very low | 179 Ų | 179 | 161.2 Ų | 161.2 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | 76.1 | 94.4 | 173.6 | -69.7 | 176.4 | 5.2 | 0 | 0 | 115.7 | | |
| 231 | Q | 39.2 | Very low | 39.2 | Very low | 174 Ų | 174 | 162 Ų | 162 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | cis | 69 | 98.1 | 42.5 | -140.7 | 163.3 | 53.6 | 0 | 0 | 113.6 | | |
| 232 | Q | 38.4 | Very low | 39.4 | Very low | 184 Ų | 184 | 161.5 Ų | 161.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | 51.2 | 104.9 | 145.3 | -74.8 | 173.9 | -36 | 0 | 0 | 119.7 | | |
| 233 | A | 37.3 | Very low | 39.9 | Very low | 97 Ų | 97 | 161.9 Ų | 161.9 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | -150.9 | 108 | 140 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 234 | Q | 38.4 | Very low | 40.3 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | 26.5 | 115.3 | 145.3 | -72.7 | 168.5 | -40.7 | 0 | 0 | 121.8 | | |
| 235 | N | 35.6 | Very low | 40 | Very low | 140 Ų | 140 | 155.6 Ų | 155.6 | 75% | 0.749 | 82% | 0.824 | S | S | * | * | | | | 51.1 | 122.4 | 110.4 | -139 | 21.1 | 0 | 0 | 0 | 120.9 | | |
| 236 | Q | 40 | Very low | 40.4 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | | | trans | 87.9 | 122.4 | 154 | -56.5 | -169.8 | 26.6 | 0 | 0 | 120.9 | | |
| 237 | G | 34.2 | Very low | 40.7 | Very low | 77 Ų | 77 | 151.8 Ų | 151.8 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | | | trans | 108.1 | 105.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 238 | H | 39.4 | Very low | 40.8 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.875 | 83% | 0.833 | S | S | * | * | | | trans | -70.3 | -175.3 | 161.9 | -66.1 | 1.6 | 0 | 0 | 0 | 111.4 | | |
| 239 | P | 51.8 | Low | 41.2 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 62% | 0.617 | 84% | 0.837 | S | S | * | * | | | | -138 | 136.6 | -51.8 | 33.9 | -16.9 | 0 | 0 | 0 | 112.5 | | |
| 240 | H | 40 | Very low | 41.4 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 81% | 0.806 | 84% | 0.835 | S | S | * | * | | | trans | -158.9 | 106.4 | 162.8 | -73.3 | -67.5 | 0 | 0 | 0 | 113.2 | | |
| 241 | H | 43.6 | Very low | 41.6 | Very low | 205 Ų | 205 | 142 Ų | 142 | 95% | 0.949 | 84% | 0.839 | S | S | * | * | | | trans | -140.9 | 108 | 139.3 | -63.1 | -63.2 | 0 | 0 | 0 | 110 | | |
| 242 | L | 43 | Very low | 41.8 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | | | trans | -48 | 129.6 | 176.6 | -176.9 | 62.7 | 0 | 0 | 0 | 114.2 | G244 | L242-G244 PolarHBondContact O-N 3.48Š|
| 243 | M | 46 | Very low | 42 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | | | trans | -62.5 | 105.8 | 160 | -176.5 | 178.4 | -73.8 | 0 | 0 | 108.6 | G245 | M243-G245 PolarHBondContact O-N 3.29Š|
| 244 | G | 42.2 | Very low | 42.1 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | | | trans | -80 | 98.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L242 | L242-G244 PolarHBondContact O-N 3.48Š|
| 245 | G | 39.9 | Very low | 42.5 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 81% | 0.814 | 84% | 0.844 | S | S | * | * | | | trans | -76.4 | 141.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M243 | M243-G245 PolarHBondContact O-N 3.29Š|
| 246 | G | 43.8 | Very low | 42.5 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | | | trans | -141.4 | 103.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 247 | N | 42.3 | Very low | 42.6 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 95% | 0.952 | 84% | 0.836 | S | S | * | * | | | trans | -62.7 | 138.4 | 172.1 | -76.4 | -32.2 | 0 | 0 | 0 | 110.9 | | |
| 248 | G | 40.8 | Very low | 42.6 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | | | trans | -153.8 | 73.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G250 | G248-G250 PolarHBondContact O-N 3.49Š|
| 249 | L | 48.3 | Very low | 43 | Very low | 189 Ų | 189 | 135 Ų | 135 | 99% | 0.99 | 84% | 0.836 | S | S | * | * | | | trans | -67.2 | 113.4 | 163.1 | -74.7 | 158.8 | 0 | 0 | 0 | 108.1 | | |
| 250 | G | 42.9 | Very low | 42.8 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | | | trans | -155.1 | 88.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | G248 | G248-G250 PolarHBondContact O-N 3.49Š|
| 251 | N | 46.8 | Very low | 42.4 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 93% | 0.93 | 84% | 0.842 | S | S | * | * | | | trans | -81.7 | 128.8 | 169.2 | -166.6 | -10.2 | 0 | 0 | 0 | 108.1 | | |
| 252 | G | 42.3 | Very low | 42 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | | | trans | 161.7 | 111.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 253 | N | 44.7 | Very low | 42 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 94% | 0.936 | 83% | 0.833 | S | S | * | * | | | trans | -52.3 | 146.3 | 171.4 | -63.9 | -60.1 | 0 | 0 | 0 | 114.2 | | |
| 254 | G | 38 | Very low | 41.8 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | trans | -176.2 | 109.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 255 | L | 46.4 | Very low | 41.7 | Very low | 190 Ų | 190 | 134 Ų | 134 | 100% | 0.995 | 83% | 0.826 | S | S | * | * | | | trans | -64.9 | 145.5 | 175.9 | -63.6 | 152.4 | 0 | 0 | 0 | 112.5 | | |
| 256 | G | 37.2 | Very low | 41.6 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | | | trans | 167.7 | 72.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 257 | I | 41.7 | Very low | 41.4 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | | | | 69 | 134.8 | 103.5 | -49.5 | 171.2 | 0 | 0 | 0 | 115.8 | | |
| 258 | Q | 34.3 | Very low | 41.1 | Very low | 173 Ų | 173 | 143 Ų | 143 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | | | trans | 99.4 | 90.1 | 157.3 | -76.2 | 124.7 | 27.4 | 0 | 0 | 119.5 | | |
| 259 | H | 46.3 | Very low | 41 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | | | trans | -85.7 | 150.1 | 131.3 | -72.8 | -101.1 | 0 | 0 | 0 | 107.1 | | |
| 260 | P | 48.5 | Very low | 40.5 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | | | | -158.2 | 174.4 | 64.1 | 38.7 | -15.5 | 0 | 0 | 0 | 117.5 | | |
| 261 | G | 31.8 | Very low | 40 | Very low | 67 Ų | 67 | 150.1 Ų | 150.1 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | 161.8 | 89.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 262 | Q | 34.9 | Very low | 39.5 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | | 94.1 | 142.7 | 79.4 | -83.7 | -79.6 | 18.2 | 0 | 0 | 113.1 | | |
| 263 | Q | 43.7 | Very low | 39.4 | Very low | 185 Ų | 185 | 152 Ų | 152 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | 94.2 | 97.7 | 179.1 | -55 | -175.4 | 2.1 | 0 | 0 | 115.1 | | |
| 264 | Q | 41.8 | Very low | 38.8 | Very low | 158 Ų | 158 | 152 Ų | 152 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | cis | 71.3 | 104.1 | 38.9 | -140.5 | -179.8 | 49.2 | 0 | 0 | 111.9 | | |
| 265 | Q | 39.5 | Very low | 38.7 | Very low | 169 Ų | 169 | 156.9 Ų | 156.9 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | | -175.3 | 129.1 | 91.6 | -89.2 | 176 | -0.4 | 0 | 0 | 109.9 | | |
| 266 | Q | 38.2 | Very low | 38.4 | Very low | 153 Ų | 153 | 153.6 Ų | 153.6 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | | 67.4 | 107.3 | 91.5 | -80.7 | -174.8 | 22.5 | 0 | 0 | 116.2 | | |
| 267 | Q | 38.9 | Very low | 38.6 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | | 81.5 | 113.6 | 103.1 | -81.8 | -174.6 | 30.1 | 0 | 0 | 116 | | |
| 268 | Q | 35.7 | Very low | 38.2 | Very low | 206 Ų | 206 | 156 Ų | 156 | 96% | 0.963 | 79% | 0.794 | S | S | * | * | | | | -150.9 | 142.7 | 129.7 | -121 | 172.5 | 61.5 | 0 | 0 | 112.5 | | |
| 269 | Q | 38.7 | Very low | 38.5 | Very low | 150 Ų | 150 | 158.1 Ų | 158.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -100.6 | 161.3 | -169.3 | -120 | 176.7 | 37 | 0 | 0 | 110.3 | | |
| 270 | Q | 37.8 | Very low | 38.4 | Very low | 152 Ų | 152 | 156.9 Ų | 156.9 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | | | trans | 73.4 | 113.3 | 150.4 | -67.7 | 175.6 | 48.6 | 0 | 0 | 120 | | |
| 271 | Q | 33.3 | Very low | 38 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | | -173.7 | 126.6 | 112 | -97.4 | 164.9 | 79.3 | 0 | 0 | 111.1 | | |
| 272 | Q | 36.1 | Very low | 38.4 | Very low | 176 Ų | 176 | 158.2 Ų | 158.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -66.9 | 151.6 | 163.3 | -78.5 | -163.3 | 0.8 | 0 | 0 | 109.9 | | |
| 273 | P | 39.2 | Very low | 39.1 | Very low | 105 Ų | 105 | 158.6 Ų | 158.6 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | | | | -144.3 | 157.2 | 94.8 | 26.7 | -5.3 | 0 | 0 | 0 | 115.5 | | |
| 274 | Q | 33.3 | Very low | 39.5 | Very low | 176 Ų | 176 | 157.9 Ų | 157.9 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -25.4 | 126.8 | 165.1 | -68.8 | 141 | -23.4 | 0 | 0 | 116.1 | | |
| 275 | H | 36.1 | Very low | 39.2 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 125.2 | 152.5 | -69.8 | -71 | 0 | 0 | 0 | 108.9 | | |
| 276 | P | 40.5 | Very low | 39.1 | Very low | 121 Ų | 121 | 158.2 Ų | 158.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 157 | 179.4 | 32.7 | -32.9 | 0 | 0 | 0 | 110.4 | | |
| 277 | G | 41 | Very low | 39.3 | Very low | 63 Ų | 63 | 155.5 Ų | 155.5 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61 | 155.4 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 278 | Q | 33.3 | Very low | 39.5 | Very low | 197 Ų | 197 | 152 Ų | 152 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | trans | -125.7 | 84.9 | 145.7 | -71.9 | -155.7 | 3.2 | 0 | 0 | 107.6 | N280 | Q278-N280 PolarHBondContact O-N 3.44Š|
| 279 | Y | 40.1 | Very low | 39.7 | Very low | 217 Ų | 217 | 147.2 Ų | 147.2 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -58.5 | 130.1 | 155.3 | -73 | -83 | 0 | 0 | 0 | 107.6 | A281 | Y279-A281 VanDerWaalsContact C-N 3.28Å; Y279-A281 PolarHBondContact O-N 3.1Å |
| 280 | N | 43.7 | Very low | 39.8 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | -60.6 | 86.4 | 172.5 | -167.1 | 26.2 | 0 | 0 | 0 | 109.6 | Q278 | Q278-N280 PolarHBondContact O-N 3.44Š|
| 281 | A | 41.4 | Very low | 40 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | | | trans | -118.9 | 68.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y279 | Y279-A281 VanDerWaalsContact C-N 3.28Å; Y279-A281 PolarHBondContact O-N 3.1Å |
| 282 | N | 40 | Very low | 40.1 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | | | trans | -135.2 | 31.3 | 167 | -90.6 | -40.8 | 0 | 0 | 0 | 112.3 | | |
| 283 | L | 48.8 | Very low | 40.4 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -112.3 | 7.5 | 167.9 | -118.8 | 76.2 | 0 | 0 | 0 | 113.8 | | |
| 284 | L | 51.4 | Low | 40.1 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -147 | 52.5 | -176.8 | -154.3 | 71.1 | 0 | 0 | 0 | 113.5 | | |
| 285 | N | 37.2 | Very low | 40.1 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | trans | -143.2 | 61.8 | 165.3 | -156.4 | -18.9 | 0 | 0 | 0 | 111.8 | | |
| 286 | H | 37.4 | Very low | 39.9 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -143.6 | 38.3 | 164.2 | -115.5 | 67.8 | 0 | 0 | 0 | 111 | | |
| 287 | A | 40.5 | Very low | 39.6 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -145.1 | 49.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 288 | A | 44.8 | Very low | 39.6 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | | | trans | -172.8 | 82.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 289 | A | 38.6 | Very low | 39.6 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | | | trans | -153.8 | 50.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 290 | L | 41.8 | Very low | 39.3 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | | | trans | -74.1 | 116.4 | 152.9 | -97.9 | 151.2 | 0 | 0 | 0 | 106.8 | | |
| 291 | G | 40.8 | Very low | 38.8 | Very low | 62 Ų | 62 | 134.7 Ų | 134.7 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | | | trans | 106.3 | 98.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 292 | H | 36.8 | Very low | 38.8 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | | | trans | -148.4 | 99.4 | 138 | -93.6 | -71.6 | 0 | 0 | 0 | 108.8 | | |
| 293 | M | 41 | Very low | 38.9 | Very low | 191 Ų | 191 | 138 Ų | 138 | 94% | 0.941 | 84% | 0.835 | S | S | * | * | | | trans | -65.1 | 134.9 | 156.9 | -73.1 | -178 | -105 | 0 | 0 | 108.4 | | |
| 294 | S | 33.6 | Very low | 38.2 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 84% | 0.838 | S | S | * | * | | | trans | -147.1 | 124.7 | 152.2 | -145.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 295 | S | 33 | Very low | 37.6 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | | | trans | -116.7 | 110.9 | -173.9 | 153.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 296 | Y | 32 | Very low | 37.8 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | | | trans | 173.4 | 141.8 | 153.1 | 54.7 | -98.7 | 0 | 0 | 0 | 106.2 | | |
| 297 | A | 33.7 | Very low | 38 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | | | cis | -155 | 144.7 | 27.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 298 | Q | 41.8 | Very low | 37.6 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 94% | 0.935 | 83% | 0.829 | S | S | * | * | | | trans | -68.7 | 129.8 | 155.3 | -79.4 | 169.6 | -80.3 | 0 | 0 | 109.9 | | |
| 299 | S | 33.1 | Very low | 37.1 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | | | trans | -175.4 | 118 | 158 | -175.2 | 0 | 0 | 0 | 0 | 104.7 | | |
| 300 | G | 33.7 | Very low | 37.3 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | cis | 128.3 | 115.4 | 42.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 301 | G | 33.5 | Very low | 37.3 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | trans | 156.6 | 57 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | M303 | G301-M303 PolarHBondContact O-N 3.37Š|
| 302 | S | 41.8 | Very low | 37.5 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 88% | 0.881 | 84% | 0.837 | S | S | * | * | | | trans | -79.3 | 102.9 | 156.6 | -84.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 303 | M | 41.2 | Very low | 37.8 | Very low | 170 Ų | 170 | 140 Ų | 140 | 84% | 0.837 | 83% | 0.825 | S | S | * | * | | | trans | -159.6 | 84.4 | 159.9 | -72.4 | -154.1 | -62.2 | 0 | 0 | 109.9 | G301 | G301-M303 PolarHBondContact O-N 3.37Š|
| 304 | Y | 34.8 | Very low | 37.7 | Very low | 248 Ų | 248 | 134.3 Ų | 134.3 | 97% | 0.973 | 82% | 0.815 | S | S | * | * | | | trans | -140.8 | 109.2 | 145.7 | -97.1 | -78.8 | 0 | 0 | 0 | 108.5 | | |
| 305 | D | 39.2 | Very low | 38.1 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 68% | 0.684 | 82% | 0.824 | S | S | * | * | | | trans | -98.5 | 140.7 | -169.5 | -168.2 | 54.3 | 0 | 0 | 0 | 110.5 | | |
| 306 | H | 40.9 | Very low | 38.4 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 69% | 0.69 | 83% | 0.829 | S | S | * | * | | | trans | 33.9 | 109.8 | 154.6 | -63.3 | -48.7 | 0 | 0 | 0 | 123.1 | | |
| 307 | H | 41.3 | Very low | 38.4 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 93% | 0.931 | 82% | 0.823 | S | S | * | * | | | | -139 | 120.7 | 125.1 | -66.5 | -67.4 | 0 | 0 | 0 | 106.2 | | |
| 308 | G | 32.3 | Very low | 38.6 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | | | cis | 107 | 101.5 | 37.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 309 | G | 35 | Very low | 38.4 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | | | trans | 126.5 | 91.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 310 | A | 41.2 | Very low | 39.2 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | -51.8 | 139.8 | 154 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 311 | M | 42.8 | Very low | 39.5 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | | | trans | -163.3 | 103.2 | 141.6 | -80.4 | -133.2 | -114.2 | 0 | 0 | 110.1 | | |
| 312 | H | 44.5 | Very low | 39.8 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 90% | 0.903 | 83% | 0.831 | S | S | * | * | | | trans | -107.9 | 113 | 155.6 | -143.3 | -141.8 | 0 | 0 | 0 | 105.7 | | |
| 313 | P | 43.8 | Very low | 40 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 66% | 0.662 | 83% | 0.827 | S | S | * | * | | | trans | -126.5 | 123.9 | 146.1 | -1.6 | 23.2 | 0 | 0 | 0 | 111.2 | | |
| 314 | G | 38.3 | Very low | 40.4 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | -68.2 | 141.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 315 | M | 41.3 | Very low | 41 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -159.2 | 96.3 | 163 | -105.2 | 166.3 | 153.7 | 0 | 0 | 109.6 | | |
| 316 | N | 39.7 | Very low | 41 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | | | trans | 25.9 | 122.9 | 130.8 | -140.9 | -23.6 | 0 | 0 | 0 | 119.5 | | |
| 317 | G | 33.4 | Very low | 41.4 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | | | | 84.6 | 105 | 121.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 318 | G | 37.6 | Very low | 41.4 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | | | trans | 88.3 | 97.3 | 137.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 319 | M | 37.5 | Very low | 41.5 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 133.3 | 156.4 | -69.7 | -173.3 | -155.6 | 0 | 0 | 110.1 | | |
| 320 | P | 48.4 | Very low | 41.6 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 136 | 175 | 29.9 | -30.9 | 0 | 0 | 0 | 111.1 | Q322 | P320-Q322 PolarHBondContact O-N 3.43Š|
| 321 | K | 41.3 | Very low | 41.2 | Very low | 208 Ų | 208 | 133.5 Ų | 133.5 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126.5 | 172 | -89 | 177.5 | 172.8 | 172.4 | 0 | 110.5 | | |
| 322 | Q | 38.8 | Very low | 40.8 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.6 | 162.1 | -73.2 | 176.7 | -7.3 | 0 | 0 | 109.7 | P320 | P320-Q322 PolarHBondContact O-N 3.43Š|
| 323 | Q | 45.8 | Very low | 40.9 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 148.1 | 169.6 | -64.3 | 172.5 | -23.2 | 0 | 0 | 110 | | |
| 324 | P | 50.5 | Low | 40.8 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | | | trans | -110 | 127.1 | 141.7 | -8.1 | 27.4 | 0 | 0 | 0 | 111.2 | G326 | P324-G326 PolarHBondContact O-N 3.47Š|
| 325 | L | 46.5 | Very low | 40.9 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -58.7 | 126 | 168.5 | -83.9 | 73.3 | 0 | 0 | 0 | 110.7 | | |
| 326 | G | 41 | Very low | 40.8 | Very low | 65 Ų | 65 | 132.4 Ų | 132.4 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | | | trans | -132.8 | 143.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P324 | P324-G326 PolarHBondContact O-N 3.47Š|
| 327 | P | 47.3 | Very low | 40.8 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -72.3 | 150.4 | -160.1 | 27.5 | -33.7 | 0 | 0 | 0 | 114.1 | | |
| 328 | P | 42 | Very low | 40.7 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | | | trans | -90.8 | 140.6 | -172.1 | 34.5 | -31.9 | 0 | 0 | 0 | 113.4 | | |
| 329 | G | 34.6 | Very low | 40.6 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 127.5 | 136.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 330 | A | 37 | Very low | 40.4 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | cis | -166.4 | 142.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 331 | G | 33.5 | Very low | 39.8 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 62 | 111.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 332 | G | 34 | Very low | 39.3 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -79.5 | -165.7 | 133.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 333 | P | 46.5 | Very low | 39.4 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | | | cis | -118.5 | 161.8 | -26.4 | 37.9 | -24.9 | 0 | 0 | 0 | 110.7 | | |
| 334 | Q | 41.7 | Very low | 38.9 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | | | trans | -157.4 | 129 | 151.4 | -77.1 | -45.7 | -35.5 | 0 | 0 | 111.8 | | |
| 335 | D | 39.8 | Very low | 38.5 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -56.2 | 136.3 | 169.7 | -62.1 | -64.5 | 0 | 0 | 0 | 112.7 | | |
| 336 | Y | 39.4 | Very low | 38.2 | Very low | 224 Ų | 224 | 127 Ų | 127 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | | | trans | -138.5 | 87.4 | 146.6 | -81.3 | -76.8 | 0 | 0 | 0 | 109.2 | Y338 | Y336-Y338 PolarHBondContact O-N 2.84Š|
| 337 | V | 40.5 | Very low | 38 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | | | trans | -69.9 | 103.2 | 154 | 176.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 338 | Y | 31.7 | Very low | 37.3 | Very low | 210 Ų | 210 | 130.6 Ų | 130.6 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | -107.5 | 107.3 | 162.2 | -171.9 | -102.6 | 0 | 0 | 0 | 108.6 | Y336 | Y336-Y338 PolarHBondContact O-N 2.84Š|
| 339 | M | 35.8 | Very low | 36.9 | Very low | 167 Ų | 167 | 129 Ų | 129 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | | | trans | -63.9 | 134.1 | 167.4 | -81.5 | 176.2 | 167.9 | 0 | 0 | 110.2 | | |
| 340 | G | 32.9 | Very low | 36.9 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 108.8 | 120.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 341 | G | 34.9 | Very low | 37.1 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 106.9 | 115.1 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 342 | Q | 31.8 | Very low | 37.2 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | | | trans | 72.6 | 119.8 | 145.6 | -74.6 | 178.5 | -33.9 | 0 | 0 | 120.9 | | |
| 343 | T | 41.3 | Very low | 37.7 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | | | trans | -42.1 | 122 | 155.9 | -1.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 344 | T | 34.3 | Very low | 37.8 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | | | trans | -150.4 | 126.7 | 158.9 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 345 | V | 42.9 | Very low | 37.9 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | | | trans | -68.8 | 155.2 | 175.3 | -149.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 346 | P | 40.3 | Very low | 37.9 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | | | trans | -129.1 | 143.4 | 143.2 | 31.7 | -17.2 | 0 | 0 | 0 | 114.3 | | |
| 347 | M | 35.7 | Very low | 38.1 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | | | trans | -66.1 | 141.2 | -178.9 | -140.4 | 149.1 | -174.9 | 0 | 0 | 112.1 | | |
| 348 | G | 32.4 | Very low | 38.2 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | -163.8 | 50.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A350 | G348-A350 PolarHBondContact O-N 3.13Å; G348-A350 VanDerWaalsContact O-N 3.11Å |
| 349 | A | 34 | Very low | 38.6 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | -69.9 | 98.1 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 350 | A | 35.3 | Very low | 38.7 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | | | trans | -91.5 | 121.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G348 | G348-A350 PolarHBondContact O-N 3.13Å; G348-A350 VanDerWaalsContact O-N 3.11Å |
| 351 | M | 40 | Very low | 39 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 93% | 0.931 | 82% | 0.824 | S | S | * | * | | | trans | -50.1 | 130 | -179.5 | -62.3 | 165 | 165.2 | 0 | 0 | 113 | | |
| 352 | M | 36.9 | Very low | 39.3 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 89% | 0.892 | 82% | 0.819 | S | S | * | * | | | trans | -135.8 | 127.6 | 155.2 | -78.8 | -166.4 | 152.1 | 0 | 0 | 109.6 | | |
| 353 | P | 44.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | | | trans | -72.8 | 148.9 | -179.4 | 29.5 | -33 | 0 | 0 | 0 | 111.5 | Q355 | P353-Q355 PolarHBondContact O-N 3.05Š|
| 354 | P | 48.4 | Very low | 39.7 | Very low | 133 Ų | 133 | 137 Ų | 137 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -76.6 | 107.1 | 178.5 | 30.3 | -31.1 | 0 | 0 | 0 | 109.9 | | |
| 355 | Q | 43.4 | Very low | 39.9 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -90.2 | 107.4 | 168.2 | -100 | 160.3 | -32.2 | 0 | 0 | 110.5 | P353 | P353-Q355 PolarHBondContact O-N 3.05Š|
| 356 | N | 39.1 | Very low | 39.6 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | trans | 59.3 | 83.3 | 149.2 | -61.3 | -24.3 | 0 | 0 | 0 | 119 | Y358 | N356-Y358 VanDerWaalsContact C-N 3.33Š|
| 357 | Q | 44.2 | Very low | 39.4 | Very low | 195 Ų | 195 | 130.7 Ų | 130.7 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -84.5 | 13.7 | 164.4 | -75.4 | -161.6 | -3.4 | 0 | 0 | 115.2 | | |
| 358 | Y | 41.5 | Very low | 39.7 | Very low | 226 Ų | 226 | 128.6 Ų | 128.6 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -110.1 | 12.5 | -171.5 | -107.2 | -86.5 | 0 | 0 | 0 | 117 | N356 | N356-Y358 VanDerWaalsContact C-N 3.33Š|
| 359 | M | 42 | Very low | 40 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -128.7 | 20.5 | -177.8 | -87.1 | 169.9 | 174.9 | 0 | 0 | 115.6 | | |
| 360 | N | 37.3 | Very low | 40.2 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -129.2 | 45.2 | 176 | -153.1 | -19 | 0 | 0 | 0 | 113.2 | | |
| 361 | S | 38.3 | Very low | 40.4 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -120.2 | -4.7 | 169.6 | -52.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 362 | S | 41.9 | Very low | 40.3 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -99.2 | -14.9 | 177.7 | 45.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 363 | A | 40.8 | Very low | 40.4 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 59% | 0.587 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -84.6 | -19.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 364 | V | 41.5 | Very low | 40.2 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -90.3 | -9.3 | -177 | -175.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 365 | A | 37.5 | Very low | 39.8 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 63% | 0.628 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -92 | -9.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 366 | A | 36.2 | Very low | 39.5 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -96.3 | -14.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N368 | A366-N368 VanDerWaalsContact C-N 3.32Å; A366-N368 PolarHBondContact O-N 3.42Å |
| 367 | A | 37.2 | Very low | 39.6 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -82.2 | -7.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 368 | N | 41.5 | Very low | 39.3 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -117.1 | 40.5 | -170.6 | -145.4 | -1.3 | 0 | 0 | 0 | 113.6 | A366 | A366-N368 VanDerWaalsContact C-N 3.32Å; A366-N368 PolarHBondContact O-N 3.42Å |
| 369 | R | 38.1 | Very low | 39.1 | Very low | 228 Ų | 228 | 125.7 Ų | 125.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -132.8 | 13.8 | 174.7 | -128.7 | -164.9 | -85.6 | 172.4 | -7.5 | 115.3 | | |
| 370 | N | 37.9 | Very low | 38.9 | Very low | 170 Ų | 170 | 122.2 Ų | 122.2 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -119.9 | 34.4 | -178.9 | -129.9 | 10.2 | 0 | 0 | 0 | 113.5 | | |
| 371 | A | 39.5 | Very low | 39 | Very low | 98 Ų | 98 | 122.2 Ų | 122.2 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -140 | 73.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 372 | A | 37.8 | Very low | 39.1 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 100% | 1.446 | 81% | 0.808 | S | S | * | * | | | trans | -140.9 | 0 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |