| 1 | M | 39.6 | Very low | 39.8 | Very low | 220 Ų | 220 | 153.8 Ų | 153.8 | 100% | 1.084 | 82% | 0.822 | S | S | * | * | | | | 0 | 116 | 0 | -61.9 | 68.3 | 171.6 | 0 | 0 | 106.8 | | |
| 2 | T | 37 | Very low | 39.4 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | | | | 61.8 | 127.5 | 67.6 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 3 | R | 38.8 | Very low | 38.9 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | | | cis | -172.1 | 129.2 | -11.4 | -143.4 | -172.8 | -172.2 | -158.9 | 7 | 111 | | |
| 4 | R | 43.1 | Very low | 39 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | | | trans | 61.6 | 174.9 | 152.1 | -71.3 | 173.5 | -174.9 | -126.8 | 1 | 116.4 | | |
| 5 | R | 41.9 | Very low | 39 | Very low | 210 Ų | 210 | 150.7 Ų | 150.7 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | | | cis | -149.7 | 170.4 | 3.4 | -141.4 | 176.7 | -142.4 | -83.8 | 11.7 | 110.9 | | |
| 6 | S | 45.3 | Very low | 38.7 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -101.2 | 169.3 | -176 | -35.3 | 0 | 0 | 0 | 0 | 115 | | |
| 7 | R | 40.7 | Very low | 38.7 | Very low | 235 Ų | 235 | 155.9 Ų | 155.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | 6.7 | 142.5 | 158.6 | -71.5 | -173.4 | 174.2 | -160.2 | -0.8 | 120.4 | | |
| 8 | P | 52.3 | Low | 38.5 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | | -117.2 | 172.8 | 99.1 | -4.4 | 24.9 | 0 | 0 | 0 | 112.5 | | |
| 9 | S | 36.4 | Very low | 38.5 | Very low | 118 Ų | 118 | 156.7 Ų | 156.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | cis | 94.6 | 111 | 2.2 | -163.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 10 | G | 32.3 | Very low | 38.6 | Very low | 79 Ų | 79 | 154.1 Ų | 154.1 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | | | trans | 106.1 | 149.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 11 | G | 30.1 | Very low | 38.3 | Very low | 78 Ų | 78 | 151.7 Ų | 151.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 95.5 | 102.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 12 | A | 35.7 | Very low | 38.1 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | cis | 93.4 | 109.5 | 15.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 13 | G | 33.2 | Very low | 39 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | 141.8 | 155.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 14 | R | 39.7 | Very low | 38.9 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | | | cis | -173.5 | 109.1 | -27.3 | 175.6 | -177 | -173.4 | -88.1 | 9.3 | 108.1 | | |
| 15 | R | 39.5 | Very low | 38.6 | Very low | 193 Ų | 193 | 145 Ų | 145 | 73% | 0.728 | 82% | 0.819 | S | S | * | * | | | trans | 66.7 | 173.5 | 166 | -57.7 | -178.7 | -175.8 | -147.7 | -5.4 | 113.5 | | |
| 16 | E | 33.4 | Very low | 38.9 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | | | cis | -139.6 | -160.2 | 13.4 | -155.4 | 133.6 | 100.4 | 0 | 0 | 114.9 | | |
| 17 | R | 39.4 | Very low | 38.3 | Very low | 230 Ų | 230 | 143.3 Ų | 143.3 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | | | trans | -129 | 137.2 | -157.3 | 167.6 | -146.4 | -64.6 | -109.1 | 2.2 | 109.2 | | |
| 18 | A | 34.3 | Very low | 38.3 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | | | trans | 169.7 | 139.6 | 133.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 19 | R | 38.8 | Very low | 38 | Very low | 240 Ų | 240 | 136.1 Ų | 136.1 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | 44.3 | 105.7 | 134.2 | -61.8 | -180 | 178.8 | -92.9 | 1.6 | 121.9 | | |
| 20 | A | 39.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | | -13.1 | 151.9 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 21 | A | 33 | Very low | 38.5 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -165.6 | 150.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 22 | G | 35.6 | Very low | 39.4 | Very low | 78 Ų | 78 | 143 Ų | 143 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 89 | 118.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 23 | P | 56.3 | Low | 40.2 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -112.2 | 158.3 | 167.6 | 39.2 | -30.8 | 0 | 0 | 0 | 114.1 | | |
| 24 | Q | 35 | Very low | 40.8 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | | | trans | -151.2 | 163.3 | 158.5 | -78.6 | -151.4 | -2.6 | 0 | 0 | 114.1 | | |
| 25 | K | 37.5 | Very low | 41.2 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | | | trans | -140.9 | 169.2 | 175.7 | -140.3 | -161.5 | 167.8 | -175.3 | 0 | 105 | | |
| 26 | P | 48.4 | Very low | 40.9 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | | | cis | -147.4 | -148 | 10.7 | 45.6 | -22.9 | 0 | 0 | 0 | 115.8 | | |
| 27 | Q | 32.3 | Very low | 41.3 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | 91.8 | 155.3 | 159.3 | -96.3 | 175.4 | -28.1 | 0 | 0 | 121 | | |
| 28 | A | 41.1 | Very low | 41.3 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -160.6 | 142.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 29 | P | 44.9 | Very low | 41.5 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | | | trans | -132.7 | -177.7 | 163.7 | 41.5 | -27.8 | 0 | 0 | 0 | 113 | | |
| 30 | E | 33.4 | Very low | 41.2 | Very low | 181 Ų | 181 | 130.1 Ų | 130.1 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | cis | -163.4 | 164.6 | -33.1 | -99.8 | 168.3 | 97.9 | 0 | 0 | 109.2 | | |
| 31 | P | 47.1 | Very low | 40.9 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 169.1 | -173.4 | 37.4 | -35.4 | 0 | 0 | 0 | 116.5 | | |
| 32 | P | 49 | Very low | 40.8 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 167.1 | -168.5 | 36 | -37.7 | 0 | 0 | 0 | 117.4 | | |
| 33 | P | 51.7 | Low | 40.7 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 168.6 | -167.5 | 38.5 | -38.1 | 0 | 0 | 0 | 117.3 | | |
| 34 | P | 46.7 | Very low | 39.4 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 169.7 | -179.5 | 38.6 | -37.1 | 0 | 0 | 0 | 115.5 | | |
| 35 | P | 48.4 | Very low | 40.3 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 162.6 | 179.9 | 36.6 | -36.2 | 0 | 0 | 0 | 115.2 | | |
| 36 | S | 33.1 | Very low | 41 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | trans | -105.9 | 164.3 | -174.2 | -56.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 37 | L | 40.8 | Very low | 40.1 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | | | trans | -105.9 | 157.3 | 171.6 | -61.1 | 169.1 | 0 | 0 | 0 | 111.1 | | |
| 38 | E | 40.2 | Very low | 40.1 | Very low | 185 Ų | 185 | 120.6 Ų | 120.6 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -162.6 | 165.9 | 155.8 | -111 | -71.2 | 43.6 | 0 | 0 | 110.9 | | |
| 39 | A | 37.9 | Very low | 40.7 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | | | trans | -140.3 | 171.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 40 | G | 31.7 | Very low | 40 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | 143.6 | 115.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 41 | A | 34.9 | Very low | 40 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 96% | 0.959 | 82% | 0.818 | S | S | * | * | | | cis | 93.5 | 116.9 | 43 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 42 | G | 30.9 | Very low | 40.1 | Very low | 84 Ų | 84 | 121.2 Ų | 121.2 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | 169.3 | 137.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 43 | A | 33 | Very low | 39.2 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | | | trans | -87.9 | 161.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 44 | G | 29.3 | Very low | 38.5 | Very low | 66 Ų | 66 | 125.7 Ų | 125.7 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | | | trans | -109 | -152.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 45 | P | 52.9 | Low | 37.7 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | cis | -117.8 | -136.4 | -11.4 | 35.8 | -13.5 | 0 | 0 | 0 | 107.7 | | |
| 46 | P | 53.5 | Low | 36.8 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | cis | -135.6 | -157.5 | -15.9 | 31.8 | -6.3 | 0 | 0 | 0 | 114.5 | | |
| 47 | E | 29.4 | Very low | 36.8 | Very low | 191 Ų | 191 | 122 Ų | 122 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | 98.3 | 154.3 | 159.2 | -56 | -145.6 | 71 | 0 | 0 | 119.2 | | |
| 48 | A | 32.6 | Very low | 36.5 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -142.1 | -132.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 49 | P | 53.5 | Low | 36.1 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | | -115.5 | 153.8 | -103.8 | 36 | -23.3 | 0 | 0 | 0 | 115.2 | | |
| 50 | A | 30 | Very low | 36 | Very low | 100 Ų | 100 | 125 Ų | 125 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -157.5 | 141.6 | 164 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 51 | E | 32.3 | Very low | 36 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -100.8 | -160 | 154.5 | -57.3 | -149 | 130.1 | 0 | 0 | 107.7 | | |
| 52 | P | 50.5 | Low | 36 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | cis | -140.2 | -164.5 | -6.6 | 41.2 | -19.9 | 0 | 0 | 0 | 115.3 | | |
| 53 | D | 29.4 | Very low | 36.5 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | | | trans | 67.8 | 127.2 | 153.2 | -88.9 | -151.2 | 0 | 0 | 0 | 121.1 | | |
| 54 | R | 37.6 | Very low | 36.6 | Very low | 213 Ų | 213 | 132.1 Ų | 132.1 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | | 79.7 | 149.7 | 72.5 | -68.7 | -177.7 | -164.3 | -119.1 | -4.9 | 112.8 | | |
| 55 | D | 29.9 | Very low | 36.8 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | cis | -152.3 | 177.4 | 32.4 | -170.6 | -102.5 | 0 | 0 | 0 | 112.4 | S57 | D55-S57 PolarHBondContact OD1-OG 2.86Š|
| 56 | G | 29 | Very low | 35.8 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | trans | 124 | 117.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 57 | S | 34.3 | Very low | 35.1 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | cis | 151.4 | 136.5 | -29.3 | -78.2 | 0 | 0 | 0 | 0 | 108.4 | D55 | D55-S57 PolarHBondContact OD1-OG 2.86Š|
| 58 | R | 32.7 | Very low | 35.3 | Very low | 211 Ų | 211 | 130.9 Ų | 130.9 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | | | trans | 87.3 | 139.9 | 178.6 | -59.1 | 177.8 | 68.4 | 176 | -4.4 | 116.8 | | |
| 59 | E | 32.2 | Very low | 35.6 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | | | cis | -159.6 | 141.9 | -7 | 46.1 | -161.4 | 4.3 | 0 | 0 | 115.2 | | |
| 60 | D | 36.5 | Very low | 34.6 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | trans | 46 | 115.8 | 139.6 | -133.8 | -128.5 | 0 | 0 | 0 | 123.6 | | |
| 61 | D | 32.3 | Very low | 34.9 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | | 177.8 | 139.3 | 123.6 | -169.4 | -105.8 | 0 | 0 | 0 | 109.9 | | |
| 62 | E | 34.4 | Very low | 35.2 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 66% | 0.659 | 74% | 0.74 | S | S | * | * | | | trans | -139.4 | 137.9 | 171.6 | -153.7 | -139.6 | 104.8 | 0 | 0 | 109.8 | N64 | E62-N64 PolarHBondContact OE1-N 2.76Å; E62-N64 PolarHBondContact OE1-ND2 2.81Å |
| 63 | P | 41.7 | Very low | 34.7 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | | | | -146.6 | 137.9 | 103.7 | 34.4 | -17.7 | 0 | 0 | 0 | 116.9 | | |
| 64 | N | 34.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | | | trans | -0.7 | 113.6 | 150.6 | -98.7 | -100.5 | 0 | 0 | 0 | 119.1 | E62 | E62-N64 PolarHBondContact OE1-N 2.76Å; E62-N64 PolarHBondContact OE1-ND2 2.81Å |
| 65 | L | 32.4 | Very low | 34.4 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | | | trans | -144.9 | 112.1 | 154 | -81.2 | -175.9 | 0 | 0 | 0 | 114.1 | | |
| 66 | V | 32.8 | Very low | 34.8 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | 31.2 | 112.7 | 148 | -170.2 | 0 | 0 | 0 | 0 | 119 | G68 | V66-G68 PolarHBondContact O-N 3.4Š|
| 67 | P | 39.5 | Very low | 35.2 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | trans | -63.5 | 127.1 | 163 | -19.3 | 32.4 | 0 | 0 | 0 | 112.2 | | |
| 68 | G | 33.6 | Very low | 35.7 | Very low | 55 Ų | 55 | 130.9 Ų | 130.9 | 57% | 0.567 | 75% | 0.751 | S | S | * | * | | | trans | -62.6 | 160.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V66 Q70 | V66-G68 PolarHBondContact O-N 3.4Å; G68-Q70 PolarHBondContact O-N 3.49Å |
| 69 | P | 38.3 | Very low | 36.5 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | | | trans | -66.3 | 104 | -170.8 | 26.9 | -35 | 0 | 0 | 0 | 111.7 | V71 | P69-V71 PolarHBondContact O-N 2.94Š|
| 70 | Q | 32.8 | Very low | 37.5 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 122.4 | 164.1 | -69.9 | -150.6 | 68.3 | 0 | 0 | 108.8 | G68 P72 | G68-Q70 PolarHBondContact O-N 3.49Å; Q70-P72 WeakPolarHBondContact O-CD 3.49Å |
| 71 | V | 36.7 | Very low | 39 | Very low | 131 Ų | 131 | 117.1 Ų | 117.1 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 121 | 168 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | P69 | P69-V71 PolarHBondContact O-N 2.94Š|
| 72 | P | 37.1 | Very low | 41.4 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 66% | 0.656 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.2 | 177.7 | 25.9 | -33.7 | 0 | 0 | 0 | 108.8 | Q70 A74 | Q70-P72 WeakPolarHBondContact O-CD 3.49Å; P72-A74 PolarHBondContact O-N 3.1Å; P72-A74 VanDerWaalsContact O-N 3.11Å |
| 73 | P | 39.7 | Very low | 44.1 | Very low | 126 Ų | 126 | 105.2 Ų | 105.2 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55 | 125.5 | 171.9 | 24.7 | -33.1 | 0 | 0 | 0 | 107.7 | S75 | P73-S75 PolarHBondContact O-N 3.26Å; P73-S75 VanDerWaalsContact O-N 3.16Å |
| 74 | A | 29.2 | Very low | 46.3 | Very low | 90 Ų | 90 | 104.5 Ų | 104.5 | 74% | 0.744 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 127 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P72 S76 | P72-A74 PolarHBondContact O-N 3.1Å; P72-A74 VanDerWaalsContact O-N 3.11Å; A74-S76 PolarHBondContact O-N 3.49Å |
| 75 | S | 31.5 | Very low | 48.9 | Very low | 106 Ų | 106 | 103.2 Ų | 103.2 | 74% | 0.741 | 62% | 0.624 | S | S | * | * | | | trans | -64 | 98.2 | -175.7 | 57.2 | 0 | 0 | 0 | 0 | 109.2 | P73 Q77 | P73-S75 PolarHBondContact O-N 3.26Å; P73-S75 VanDerWaalsContact O-N 3.16Å; S75-Q77 VanDerWaalsContact C-N 3.26Å; S75-Q77 PolarHBondContact O-N 2.96Å |
| 76 | S | 40.1 | Very low | 51.7 | Low | 115 Ų | 115 | 98.2 Ų | 98.2 | 80% | 0.804 | 60% | 0.602 | S | S | * | * | | | trans | -58.8 | 91.6 | 168.6 | -64.3 | 0 | 0 | 0 | 0 | 107.9 | A74 P78 | A74-S76 PolarHBondContact O-N 3.49Å; S76-P78 VanDerWaalsContact O-CD 3.28Å; S76-P78 WeakPolarHBondContact O-CD 3.28Å; S76-P78 VanDerWaalsContact O-N 3.14Å |
| 77 | Q | 35.9 | Very low | 54.3 | Low | 166 Ų | 166 | 99.4 Ų | 99.4 | 78% | 0.776 | 60% | 0.599 | S | S | * | * | | | trans | -60.8 | 118.4 | 171.6 | -73 | -170.1 | -36.5 | 0 | 0 | 106.9 | S75 V79 | S75-Q77 VanDerWaalsContact C-N 3.26Å; S75-Q77 PolarHBondContact O-N 2.96Å; Q77-V79 PolarHBondContact O-N 3Å; Q77-V79 VanDerWaalsContact O-N 3.16Å |
| 78 | P | 45.3 | Very low | 56.4 | Low | 84 Ų | 84 | 102.1 Ų | 102.1 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | | | trans | -61.1 | 124.7 | 171.7 | 26.5 | -32.5 | 0 | 0 | 0 | 106.5 | S76 Q80 | S76-P78 VanDerWaalsContact O-CD 3.28Å; S76-P78 WeakPolarHBondContact O-CD 3.28Å; S76-P78 VanDerWaalsContact O-N 3.14Å; P78-Q80 PolarHBondContact O-N 2.81Å |
| 79 | V | 48.4 | Very low | 58.7 | Low | 102 Ų | 102 | 104.6 Ų | 104.6 | 62% | 0.618 | 59% | 0.59 | S | S | * | * | | | trans | -64.2 | 100.5 | 179 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | Q77 T81 M125 | Q77-V79 PolarHBondContact O-N 3Å; Q77-V79 VanDerWaalsContact O-N 3.16Å; V79-T81 PolarHBondContact O-N 3.44Å; V79-M125 HydrophobicContact CG1-CE 3.73Å; V79-M125 HydrophobicContact CG1-SD 3.68Å |
| 80 | Q | 54.7 | Low | 60.4 | Low | 112 Ų | 112 | 100.8 Ų | 100.8 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | | | trans | -65 | 105.7 | -169.8 | -66.8 | -169.5 | -57.2 | 0 | 0 | 109.6 | P78 C82 E89 | P78-Q80 PolarHBondContact O-N 2.81Å; Q80-C82 PolarHBondContact O-N 3.16Å; Q80-E89 PolarHBondContact NE2-OE1 2.86Å; Q80-E89 PolarHBondContact NE2-OE2 3.13Å |
| 81 | T | 67.5 | Low | 62.1 | Low | 14 Ų | 14 | 101.2 Ų | 101.2 | 9% | 0.086 | 56% | 0.558 | C | S | . | * | | | trans | -80 | 67 | -179 | 51 | 0 | 0 | 0 | 0 | 110.2 | V79 R90 P126 | V79-T81 PolarHBondContact O-N 3.44Å; T81-R90 VanDerWaalsContact O-CB 3.27Å; T81-R90 WeakPolarHBondContact O-CB 3.42Å; T81-R90 PolarHBondContact O-N 3.03Å; T81-R90 WeakPolarHBondContact OG1-CB 3.44Å; T81-P126 HydrophobicContact CG2-CG 3.58Å |
| 82 | C | 83.1 | Confident | 63.1 | Low | 37 Ų | 37 | 98.7 Ų | 98.7 | 25% | 0.25 | 56% | 0.558 | C | S | . | * | B | Isolated β-bridge | trans | -67.7 | 150.2 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | Q80 L84 H87 | Q80-C82 PolarHBondContact O-N 3.16Å; C82-L84 PolarHBondContact O-N 3.11Å; C82-H87 WeakPolarHBondContact CB-O 3.32Å |
| 83 | C | 90.1 | Very high | 63.7 | Low | 1 Ų | 1 | 101.9 Ų | 101.9 | 1% | 0.007 | 56% | 0.557 | C | S | . | * | B | Isolated β-bridge | trans | -66.7 | 124.9 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | L85 C86 H87 R88 W128 C130 | C83-L85 PolarHBondContact O-N 2.8Å; C83-L85 VanDerWaalsContact O-N 3.11Å; C83-C86 VanDerWaalsContact CB-SG 3.57Å; C83-C86 PolarHBondContact O-N 2.8Å; C83-H87 WeakPolarHBondContact O-CA 3.44Å; C83-H87 PolarHBondContact O-N 2.79Å; C83-R88 PolarHBondContact N-O 3.29Å; C83-W128 CarbonylContact C-O 3.57Å; C83-W128 WeakPolarHBondContact CA-O 3.21Å; C83-W128 HydrophobicContact CB-CE3 3.95Å; C83-W128 HydrophobicContact CB-CZ3 3.89Å; C83-C130 HydrophobicContact CB-CB 3.95Å; C83-C130 PolarHBondContact SG-N 2.81Å; C83-C130 VanDerWaalsContact SG-SG 3.64Å |
| 84 | L | 88.4 | Confident | 63.9 | Low | 90 Ų | 90 | 103.3 Ų | 103.3 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59 | -25.4 | 180 | -63.2 | 174.7 | 0 | 0 | 0 | 114.2 | C82 L127 W128 | C82-L84 PolarHBondContact O-N 3.11Å; L84-L127 HydrophobicContact CD1-CB 3.86Å; L84-L127 HydrophobicContact CD1-CD2 3.95Å; L84-L127 HydrophobicContact CD1-CG 4.37Å; L84-L127 HydrophobicContact CD2-CD2 4.13Å; L84-W128 WeakPolarHBondContact CG-O 3.38Å; L84-W128 PolarHBondContact N-O 3.28Å |
| 85 | L | 89.6 | Confident | 64.4 | Low | 108 Ų | 108 | 106.4 Ų | 106.4 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -16.5 | -175.4 | -60.9 | -177 | 0 | 0 | 0 | 114.5 | C83 V129 C133 | C83-L85 PolarHBondContact O-N 2.8Å; C83-L85 VanDerWaalsContact O-N 3.11Å; L85-V129 HydrophobicContact CD1-CG1 3.8Å; L85-V129 HydrophobicContact CD1-CG2 4.41Å; L85-V129 HydrophobicContact CG-CG1 4.28Å; L85-V129 HydrophobicContact CG-CG2 4.38Å; L85-C133 HydrophobicContact CB-CB 3.88Å; L85-C133 HydrophobicContact CD1-CB 4.02Å |
| 86 | C | 91.8 | Very high | 64.8 | Low | 59 Ų | 59 | 104.2 Ų | 104.2 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 6.7 | -179.6 | 71 | 0 | 0 | 0 | 0 | 114.8 | C83 R88 C130 C133 | C83-C86 VanDerWaalsContact CB-SG 3.57Å; C83-C86 PolarHBondContact O-N 2.8Å; C86-R88 PolarHBondContact O-N 3.47Å; C86-C130 VanDerWaalsContact SG-SG 3.65Å; C86-C133 VanDerWaalsContact CB-SG 3.57Å; C86-C133 PolarHBondContact SG-SG 3.33Å |
| 87 | H | 86.1 | Confident | 64.8 | Low | 149 Ų | 149 | 105.1 Ų | 105.1 | 69% | 0.69 | 55% | 0.549 | S | S | * | . | | | trans | 55.8 | -0 | 177.4 | -66.2 | -112 | 0 | 0 | 0 | 116.3 | C82 C83 E89 | C82-H87 WeakPolarHBondContact CB-O 3.32Å; C83-H87 WeakPolarHBondContact O-CA 3.44Å; C83-H87 PolarHBondContact O-N 2.79Å; H87-E89 PolarHBondContact O-N 3.43Å |
| 88 | R | 85.2 | Confident | 64.7 | Low | 180 Ų | 180 | 101.8 Ų | 101.8 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | | | trans | -64.8 | 129.1 | 174.7 | -178.3 | 174.7 | -80.3 | -175.1 | -4.3 | 110.4 | C83 C86 | C83-R88 PolarHBondContact N-O 3.29Å; C86-R88 PolarHBondContact O-N 3.47Å |
| 89 | E | 81.5 | Confident | 64.6 | Low | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -59.2 | 143.5 | 176.9 | -64.9 | 170.6 | -161.2 | 0 | 0 | 112.7 | Q80 H87 K91 | Q80-E89 PolarHBondContact NE2-OE1 2.86Å; Q80-E89 PolarHBondContact NE2-OE2 3.13Å; H87-E89 PolarHBondContact O-N 3.43Å; E89-K91 PolarHBondContact O-N 2.9Å |
| 90 | R | 74.6 | Confident | 64.1 | Low | 53 Ų | 53 | 108.8 Ų | 108.8 | 20% | 0.2 | 57% | 0.568 | C | S | . | * | | | trans | -71.2 | 90.9 | 169.3 | -174.7 | -167.4 | -67.9 | -178.5 | 3.9 | 110.4 | T81 G92 W93 W128 | T81-R90 VanDerWaalsContact O-CB 3.27Å; T81-R90 WeakPolarHBondContact O-CB 3.42Å; T81-R90 PolarHBondContact O-N 3.03Å; T81-R90 WeakPolarHBondContact OG1-CB 3.44Å; R90-G92 PolarHBondContact O-N 2.83Å; R90-W93 HydrophobicContact CG-CB 4.47Å; R90-W128 HydrophobicContact CB-CD2 4.34Å; R90-W128 HydrophobicContact CB-CE3 3.9Å; R90-W128 HydrophobicContact CB-CH2 3.85Å; R90-W128 HydrophobicContact CB-CZ2 4.28Å; R90-W128 HydrophobicContact CB-CZ3 3.65Å; R90-W128 HydrophobicContact CG-CH2 4.05Å; R90-W128 HydrophobicContact CG-CZ2 4.03Å; R90-W128 HydrophobicContact CG-CZ3 4.3Å |
| 91 | K | 67.8 | Low | 62.9 | Low | 196 Ų | 196 | 107.1 Ų | 107.1 | 85% | 0.852 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 130.8 | 167.7 | -61.6 | -168.8 | 174.6 | -165.6 | 0 | 109.8 | E89 | E89-K91 PolarHBondContact O-N 2.9Š|
| 92 | G | 56.9 | Low | 61.6 | Low | 77 Ų | 77 | 115.1 Ų | 115.1 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.5 | 35 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R90 | R90-G92 PolarHBondContact O-N 2.83Š|
| 93 | W | 50.6 | Low | 59.2 | Low | 168 Ų | 168 | 119.6 Ų | 119.6 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | | | trans | -101.8 | -23.3 | 168.2 | -170 | -104.4 | 0 | 0 | 0 | 113.8 | R90 E95 | R90-W93 HydrophobicContact CG-CB 4.47Å; W93-E95 VanDerWaalsContact C-N 3.26Å; W93-E95 PolarHBondContact O-N 2.94Å; W93-E95 VanDerWaalsContact O-N 3.1Å |
| 94 | E | 43.5 | Very low | 56.5 | Low | 157 Ų | 157 | 127.5 Ų | 127.5 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -81.9 | 69.4 | 168.9 | -76.8 | -72.2 | 116.7 | 0 | 0 | 109.9 | | |
| 95 | E | 40.4 | Very low | 54.1 | Low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | | | trans | -158.2 | 70.1 | 162.3 | -151.7 | 79.2 | -105.3 | 0 | 0 | 109.4 | W93 | W93-E95 VanDerWaalsContact C-N 3.26Å; W93-E95 PolarHBondContact O-N 2.94Å; W93-E95 VanDerWaalsContact O-N 3.1Å |
| 96 | G | 38.9 | Very low | 51.4 | Low | 60 Ų | 60 | 131.4 Ų | 131.4 | 62% | 0.619 | 72% | 0.722 | S | S | * | * | | | trans | -65.9 | 145.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S98 | G96-S98 PolarHBondContact O-N 3.16Š|
| 97 | P | 41.2 | Very low | 48.7 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | | | trans | -57.6 | 110 | -163 | 21.7 | -33.9 | 0 | 0 | 0 | 112.6 | | |
| 98 | S | 34.1 | Very low | 46.5 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | | | trans | -64.2 | 138.5 | 171.2 | 46.5 | 0 | 0 | 0 | 0 | 109.8 | G96 | G96-S98 PolarHBondContact O-N 3.16Š|
| 99 | Q | 43 | Very low | 44 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -77.7 | 135.7 | -178 | -62.8 | 177.7 | 8.8 | 0 | 0 | 109.6 | | |
| 100 | N | 37.3 | Very low | 41.8 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | 76.3 | 101 | 178.2 | -42.4 | -69.7 | 0 | 0 | 0 | 115.2 | | |
| 101 | G | 29.1 | Very low | 40.4 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -177.5 | 108 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V103 | G101-V103 PolarHBondContact O-N 3.17Š|
| 102 | L | 40.5 | Very low | 38.8 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | | | trans | -82.6 | 111.6 | -179.9 | -82.2 | 166.1 | 0 | 0 | 0 | 111.3 | | |
| 103 | V | 33.6 | Very low | 38 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | -136.4 | 112.4 | 162.4 | -177 | 0 | 0 | 0 | 0 | 110.8 | G101 | G101-V103 PolarHBondContact O-N 3.17Š|
| 104 | L | 32.8 | Very low | 37.3 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | 18.6 | 136.1 | 152.3 | -68.9 | 155.1 | 0 | 0 | 0 | 121.1 | | |
| 105 | Q | 37.3 | Very low | 37 | Very low | 204 Ų | 204 | 142.5 Ų | 142.5 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | | | trans | -66.9 | 145.5 | 165.4 | -66.3 | -170.3 | 30.6 | 0 | 0 | 112.6 | | |
| 106 | G | 32.3 | Very low | 37.1 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -169.6 | 114.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 107 | E | 36.3 | Very low | 37 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | 44.3 | 92.3 | 167 | -61.8 | -157.3 | 79.4 | 0 | 0 | 121 | | |
| 108 | K | 39.6 | Very low | 36.8 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | | 47.6 | 96.9 | 116.7 | -171.7 | -162.9 | 177 | -174.8 | 0 | 119.2 | | |
| 109 | L | 32.2 | Very low | 37.4 | Very low | 163 Ų | 163 | 152.2 Ų | 152.2 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -147.1 | 148.2 | 136.5 | -82.1 | -172 | 0 | 0 | 0 | 111.3 | | |
| 110 | P | 35.4 | Very low | 37.3 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | | | trans | -75.1 | 141.3 | 176.5 | -15.6 | 31.4 | 0 | 0 | 0 | 113.4 | D112 | P110-D112 VanDerWaalsContact C-N 3.29Å; P110-D112 PolarHBondContact O-N 3.41Å; P110-D112 VanDerWaalsContact O-N 3.17Å |
| 111 | P | 45 | Very low | 37.4 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 26.2 | -173.3 | 35.7 | -37.9 | 0 | 0 | 0 | 115.6 | | |
| 112 | D | 34.2 | Very low | 37.9 | Very low | 149 Ų | 149 | 155.6 Ų | 155.6 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -6.1 | -176.8 | -79.8 | -64.4 | 0 | 0 | 0 | 115 | P110 M114 | P110-D112 VanDerWaalsContact C-N 3.29Å; P110-D112 PolarHBondContact O-N 3.41Å; P110-D112 VanDerWaalsContact O-N 3.17Å; D112-M114 PolarHBondContact O-N 2.77Å |
| 113 | F | 40.9 | Very low | 38.4 | Very low | 199 Ų | 199 | 150.8 Ų | 150.8 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -92.5 | 29.1 | -171.9 | -122.2 | -81.1 | 0 | 0 | 0 | 116 | | |
| 114 | M | 34.9 | Very low | 38.8 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | | | trans | -137.1 | 107.1 | 169.4 | -84.5 | -78.4 | 92.6 | 0 | 0 | 111.7 | D112 K116 | D112-M114 PolarHBondContact O-N 2.77Å; M114-K116 PolarHBondContact O-N 3.34Å |
| 115 | P | 38.2 | Very low | 39.5 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | trans | -58.6 | 126.5 | 165.9 | -21.3 | 33.2 | 0 | 0 | 0 | 109.9 | L117 | P115-L117 PolarHBondContact O-N 3.11Š|
| 116 | K | 41.8 | Very low | 40.6 | Very low | 212 Ų | 212 | 142.3 Ų | 142.3 | 92% | 0.922 | 77% | 0.767 | S | S | * | * | | | trans | -74 | 70.6 | 174.3 | -70.3 | 172.1 | -178.8 | 166.3 | 0 | 109.9 | M114 | M114-K116 PolarHBondContact O-N 3.34Š|
| 117 | L | 38.1 | Very low | 42.7 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | | | trans | -64 | 141.6 | -178.9 | -168.8 | 61.6 | 0 | 0 | 0 | 110.5 | P115 K119 | P115-L117 PolarHBondContact O-N 3.11Å; L117-K119 PolarHBondContact O-N 2.96Å; L117-K119 VanDerWaalsContact O-N 3.13Å |
| 118 | V | 36.4 | Very low | 45.1 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | | | trans | -69.7 | 109 | -165.7 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | N120 | V118-N120 PolarHBondContact O-N 3.4Š|
| 119 | K | 45.6 | Very low | 47.5 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 136.4 | 162.1 | -83.3 | -173.1 | 173.5 | -178.3 | 0 | 109.1 | L117 | L117-K119 PolarHBondContact O-N 2.96Å; L117-K119 VanDerWaalsContact O-N 3.13Å |
| 120 | N | 41.8 | Very low | 50.3 | Low | 158 Ų | 158 | 125.6 Ų | 125.6 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.3 | 41 | 176.2 | -46.1 | -68.2 | 0 | 0 | 0 | 118 | V118 | V118-N120 PolarHBondContact O-N 3.4Š|
| 121 | L | 40.2 | Very low | 52.8 | Low | 157 Ų | 157 | 126.2 Ų | 126.2 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -139.5 | 107.8 | 148.7 | -144.7 | 71.2 | 0 | 0 | 0 | 113.1 | | |
| 122 | L | 39.7 | Very low | 55 | Low | 166 Ų | 166 | 124.3 Ų | 124.3 | 87% | 0.869 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 46.6 | 80.2 | 158.5 | -161.7 | 68.1 | 0 | 0 | 0 | 119.1 | E124 | L122-E124 PolarHBondContact O-N 3.09Å; L122-E124 VanDerWaalsContact O-N 3.14Å |
| 123 | G | 49.4 | Very low | 57.7 | Low | 80 Ų | 80 | 118.3 Ų | 118.3 | 83% | 0.825 | 63% | 0.626 | S | S | * | * | | | trans | 71.7 | 17.2 | 135.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | M125 | G123-M125 PolarHBondContact O-N 2.9Š|
| 124 | E | 42.4 | Very low | 60.1 | Low | 155 Ų | 155 | 115.4 Ų | 115.4 | 72% | 0.724 | 61% | 0.609 | S | S | * | * | | | trans | -65.4 | 99.2 | 171.8 | -69.3 | -171.4 | 160.5 | 0 | 0 | 111.3 | L122 P126 | L122-E124 PolarHBondContact O-N 3.09Å; L122-E124 VanDerWaalsContact O-N 3.14Å; E124-P126 WeakPolarHBondContact O-CD 3.27Å |
| 125 | M | 48.1 | Very low | 62.8 | Low | 105 Ų | 105 | 114.1 Ų | 114.1 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | | | trans | -62.7 | 120.7 | 168.1 | -179.5 | 69.1 | 75.7 | 0 | 0 | 108.6 | V79 G123 L127 | V79-M125 HydrophobicContact CG1-CE 3.73Å; V79-M125 HydrophobicContact CG1-SD 3.68Å; G123-M125 PolarHBondContact O-N 2.9Å; M125-L127 PolarHBondContact O-N 3.41Å |
| 126 | P | 59.2 | Low | 65.4 | Low | 65 Ų | 65 | 112.3 Ų | 112.3 | 42% | 0.422 | 59% | 0.589 | S | S | . | * | | | trans | -73.2 | 91.7 | -178.4 | 29.9 | -35.1 | 0 | 0 | 0 | 110.2 | T81 E124 W128 | T81-P126 HydrophobicContact CG2-CG 3.58Å; E124-P126 WeakPolarHBondContact O-CD 3.27Å; P126-W128 PolarHBondContact O-N 2.88Å |
| 127 | L | 77.9 | Confident | 67.7 | Low | 139 Ų | 139 | 107.5 Ų | 107.5 | 73% | 0.728 | 57% | 0.571 | S | S | * | * | | | trans | -48.8 | 109.7 | 178.3 | -64.3 | -174.5 | 0 | 0 | 0 | 110.6 | L84 M125 | L84-L127 HydrophobicContact CD1-CB 3.86Å; L84-L127 HydrophobicContact CD1-CD2 3.95Å; L84-L127 HydrophobicContact CD1-CG 4.37Å; L84-L127 HydrophobicContact CD2-CD2 4.13Å; M125-L127 PolarHBondContact O-N 3.41Å |
| 128 | W | 86.1 | Confident | 70.2 | Confident | 65 Ų | 65 | 106.3 Ų | 106.3 | 25% | 0.246 | 56% | 0.562 | C | S | . | * | B | Isolated β-bridge | trans | -120.9 | 135.9 | -173.3 | -175.8 | 60.1 | 0 | 0 | 0 | 111.9 | C83 L84 R90 P126 C130 | C83-W128 CarbonylContact C-O 3.57Å; C83-W128 WeakPolarHBondContact CA-O 3.21Å; C83-W128 HydrophobicContact CB-CE3 3.95Å; C83-W128 HydrophobicContact CB-CZ3 3.89Å; L84-W128 WeakPolarHBondContact CG-O 3.38Å; L84-W128 PolarHBondContact N-O 3.28Å; R90-W128 HydrophobicContact CB-CD2 4.34Å; R90-W128 HydrophobicContact CB-CE3 3.9Å; R90-W128 HydrophobicContact CB-CH2 3.85Å; R90-W128 HydrophobicContact CB-CZ2 4.28Å; R90-W128 HydrophobicContact CB-CZ3 3.65Å; R90-W128 HydrophobicContact CG-CH2 4.05Å; R90-W128 HydrophobicContact CG-CZ2 4.03Å; R90-W128 HydrophobicContact CG-CZ3 4.3Å; P126-W128 PolarHBondContact O-N 2.88Å; W128-C130 HydrophobicContact CE3-CB 4.49Å; W128-C130 HydrophobicContact CH2-CB 3.39Å; W128-C130 HydrophobicContact CZ2-CB 3.66Å; W128-C130 HydrophobicContact CZ3-CB 3.84Å |
| 129 | V | 89.7 | Confident | 72.6 | Confident | 45 Ų | 45 | 107.2 Ų | 107.2 | 27% | 0.273 | 56% | 0.559 | S | S | . | * | | | trans | -118.9 | 125 | 168 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | L85 C133 R134 | L85-V129 HydrophobicContact CD1-CG1 3.8Å; L85-V129 HydrophobicContact CD1-CG2 4.41Å; L85-V129 HydrophobicContact CG-CG1 4.28Å; L85-V129 HydrophobicContact CG-CG2 4.38Å; V129-C133 HydrophobicContact CG1-CB 3.72Å; V129-R134 HydrophobicContact CG1-CB 4.41Å |
| 130 | C | 90.9 | Very high | 74.6 | Confident | 13 Ų | 13 | 102.9 Ų | 102.9 | 9% | 0.088 | 55% | 0.545 | C | S | . | . | | | trans | -69.2 | 157.4 | -178.9 | 77.8 | 0 | 0 | 0 | 0 | 111.5 | C83 C86 W128 S132 C133 R134 | C83-C130 HydrophobicContact CB-CB 3.95Å; C83-C130 PolarHBondContact SG-N 2.81Å; C83-C130 VanDerWaalsContact SG-SG 3.64Å; C86-C130 VanDerWaalsContact SG-SG 3.65Å; W128-C130 HydrophobicContact CE3-CB 4.49Å; W128-C130 HydrophobicContact CH2-CB 3.39Å; W128-C130 HydrophobicContact CZ2-CB 3.66Å; W128-C130 HydrophobicContact CZ3-CB 3.84Å; C130-S132 PolarHBondContact O-N 3.4Å; C130-S132 VanDerWaalsContact O-N 3.13Å; C130-C133 PolarHBondContact O-N 2.87Å; C130-C133 VanDerWaalsContact O-N 3.09Å; C130-R134 PolarHBondContact O-N 3.05Å |
| 131 | Q | 88.2 | Confident | 76.9 | Confident | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.5 | -31.5 | -174.8 | -171.3 | 58.9 | 73.4 | 0 | 0 | 113.4 | K135 | Q131-K135 HydrophobicContact CG-CD 4.48Å; Q131-K135 WeakPolarHBondContact O-CB 3.29Å; Q131-K135 WeakPolarHBondContact O-CG 3.46Å; Q131-K135 PolarHBondContact O-N 3.34Å |
| 132 | S | 90.5 | Very high | 79 | Confident | 88 Ų | 88 | 101.7 Ų | 101.7 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.6 | -47.3 | 175.6 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | C130 K135 S136 | C130-S132 PolarHBondContact O-N 3.4Å; C130-S132 VanDerWaalsContact O-N 3.13Å; S132-K135 PolarHBondContact O-N 3.21Å; S132-S136 WeakPolarHBondContact O-CB 3.4Å; S132-S136 PolarHBondContact O-N 3.19Å |
| 133 | C | 92.6 | Very high | 80.8 | Confident | 22 Ų | 22 | 98 Ų | 98 | 15% | 0.149 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -70.7 | -34.3 | 178.7 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | L85 C86 V129 C130 S136 M137 | L85-C133 HydrophobicContact CB-CB 3.88Å; L85-C133 HydrophobicContact CD1-CB 4.02Å; C86-C133 VanDerWaalsContact CB-SG 3.57Å; C86-C133 PolarHBondContact SG-SG 3.33Å; V129-C133 HydrophobicContact CG1-CB 3.72Å; C130-C133 PolarHBondContact O-N 2.87Å; C130-C133 VanDerWaalsContact O-N 3.09Å; C133-S136 PolarHBondContact O-N 2.94Å; C133-M137 WeakPolarHBondContact O-CB 3.44Å; C133-M137 PolarHBondContact O-N 3.01Å |
| 134 | R | 91.1 | Very high | 81.9 | Confident | 139 Ų | 139 | 97.1 Ų | 97.1 | 53% | 0.525 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 170.5 | 179.8 | -179.1 | -73.6 | -107.8 | 0.8 | 111.2 | V129 C130 M137 E138 | V129-R134 HydrophobicContact CG1-CB 4.41Å; C130-R134 PolarHBondContact O-N 3.05Å; R134-M137 PolarHBondContact O-N 3.47Å; R134-E138 WeakPolarHBondContact O-CB 3.22Å; R134-E138 PolarHBondContact O-N 3.29Å |
| 135 | K | 90.8 | Very high | 83.1 | Confident | 128 Ų | 128 | 91.8 Ų | 91.8 | 56% | 0.557 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 176.2 | -78.2 | 178.4 | 175.6 | -168.9 | 0 | 112.1 | Q131 S132 M137 E138 E139 | Q131-K135 HydrophobicContact CG-CD 4.48Å; Q131-K135 WeakPolarHBondContact O-CB 3.29Å; Q131-K135 WeakPolarHBondContact O-CG 3.46Å; Q131-K135 PolarHBondContact O-N 3.34Å; S132-K135 PolarHBondContact O-N 3.21Å; K135-M137 VanDerWaalsContact C-N 3.31Å; K135-M137 PolarHBondContact O-N 3.3Å; K135-E138 PolarHBondContact O-N 3.36Å; K135-E139 VanDerWaalsContact O-CB 3.22Å; K135-E139 WeakPolarHBondContact O-CB 3.36Å; K135-E139 PolarHBondContact O-N 2.74Å |
| 136 | S | 92.6 | Very high | 84.1 | Confident | 73 Ų | 73 | 93.9 Ų | 93.9 | 51% | 0.51 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 177.3 | -169.6 | 0 | 0 | 0 | 0 | 112.4 | S132 C133 D140 | S132-S136 WeakPolarHBondContact O-CB 3.4Å; S132-S136 PolarHBondContact O-N 3.19Å; C133-S136 PolarHBondContact O-N 2.94Å; S136-D140 VanDerWaalsContact O-CB 3.29Å; S136-D140 WeakPolarHBondContact O-CB 3.45Å; S136-D140 PolarHBondContact O-N 2.93Å |
| 137 | M | 90.6 | Very high | 84.4 | Confident | 110 Ų | 110 | 96.2 Ų | 96.2 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | 176.5 | -174.9 | -163.6 | 83 | 0 | 0 | 112.1 | C133 R134 K135 E139 D140 E141 | C133-M137 WeakPolarHBondContact O-CB 3.44Å; C133-M137 PolarHBondContact O-N 3.01Å; R134-M137 PolarHBondContact O-N 3.47Å; K135-M137 VanDerWaalsContact C-N 3.31Å; K135-M137 PolarHBondContact O-N 3.3Å; M137-E139 VanDerWaalsContact C-N 3.33Å; M137-D140 PolarHBondContact O-N 3.34Å; M137-E141 WeakPolarHBondContact O-CB 3.33Å; M137-E141 PolarHBondContact O-N 3.01Å |
| 138 | E | 90.1 | Very high | 83.4 | Confident | 106 Ų | 106 | 95.7 Ų | 95.7 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.8 | -30.4 | 175.7 | -167.4 | -176.8 | 136.9 | 0 | 0 | 112.1 | R134 K135 R142 | R134-E138 WeakPolarHBondContact O-CB 3.22Å; R134-E138 PolarHBondContact O-N 3.29Å; K135-E138 PolarHBondContact O-N 3.36Å; E138-R142 WeakPolarHBondContact O-CB 3.3Å; E138-R142 WeakPolarHBondContact O-CD 3.34Å; E138-R142 WeakPolarHBondContact O-CG 3.2Å; E138-R142 PolarHBondContact O-N 3.28Å |
| 139 | E | 87.5 | Confident | 82.1 | Confident | 136 Ų | 136 | 95 Ų | 95 | 64% | 0.636 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -74.9 | -40.8 | 172.9 | -174.5 | 160.3 | -141.5 | 0 | 0 | 111.9 | K135 M137 R142 Q143 | K135-E139 VanDerWaalsContact O-CB 3.22Å; K135-E139 WeakPolarHBondContact O-CB 3.36Å; K135-E139 PolarHBondContact O-N 2.74Å; M137-E139 VanDerWaalsContact C-N 3.33Å; E139-R142 CarbonylContact O-C 3.56Å; E139-R142 PolarHBondContact O-N 3.32Å; E139-Q143 WeakPolarHBondContact O-CB 3.46Å; E139-Q143 PolarHBondContact O-N 2.84Å |
| 140 | D | 87.9 | Confident | 80.7 | Confident | 98 Ų | 98 | 96.7 Ų | 96.7 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 172.2 | -168 | 148.7 | 0 | 0 | 0 | 111.3 | S136 M137 R142 Q143 T144 | S136-D140 VanDerWaalsContact O-CB 3.29Å; S136-D140 WeakPolarHBondContact O-CB 3.45Å; S136-D140 PolarHBondContact O-N 2.93Å; M137-D140 PolarHBondContact O-N 3.34Å; D140-R142 VanDerWaalsContact C-N 3.28Å; D140-R142 PolarHBondContact O-N 3.21Å; D140-Q143 CarbonylContact O-C 3.52Å; D140-Q143 PolarHBondContact O-N 2.95Å; D140-T144 WeakPolarHBondContact O-CB 3.49Å; D140-T144 PolarHBondContact O-N 3.14Å; D140-T144 PolarHBondContact O-OG1 3.13Å; D140-T144 PolarHBondContact OD2-OG1 2.82Å |
| 141 | E | 88.4 | Confident | 79.2 | Confident | 142 Ų | 142 | 98.7 Ų | 98.7 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.3 | -41.9 | 175 | -172.8 | -178.8 | 92.4 | 0 | 0 | 111.7 | M137 G145 | M137-E141 WeakPolarHBondContact O-CB 3.33Å; M137-E141 PolarHBondContact O-N 3.01Å; E141-G145 PolarHBondContact O-N 2.81Å |
| 142 | R | 85.4 | Confident | 77.7 | Confident | 148 Ų | 148 | 98.4 Ų | 98.4 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.9 | -25.1 | 176.4 | -70.3 | 176.7 | 79.4 | -120.7 | 5.8 | 113.4 | E138 E139 D140 R146 | E138-R142 WeakPolarHBondContact O-CB 3.3Å; E138-R142 WeakPolarHBondContact O-CD 3.34Å; E138-R142 WeakPolarHBondContact O-CG 3.2Å; E138-R142 PolarHBondContact O-N 3.28Å; E139-R142 CarbonylContact O-C 3.56Å; E139-R142 PolarHBondContact O-N 3.32Å; D140-R142 VanDerWaalsContact C-N 3.28Å; D140-R142 PolarHBondContact O-N 3.21Å; R142-R146 VanDerWaalsContact O-CD 3.3Å; R142-R146 WeakPolarHBondContact O-CD 3.31Å; R142-R146 WeakPolarHBondContact O-CG 3.44Å; R142-R146 PolarHBondContact O-N 3.37Å |
| 143 | Q | 76.7 | Confident | 76.1 | Confident | 88 Ų | 88 | 97.6 Ų | 97.6 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80.7 | -47.8 | 175 | -178.1 | 60.4 | 14.5 | 0 | 0 | 111 | E139 D140 G145 R146 E147 | E139-Q143 WeakPolarHBondContact O-CB 3.46Å; E139-Q143 PolarHBondContact O-N 2.84Å; D140-Q143 CarbonylContact O-C 3.52Å; D140-Q143 PolarHBondContact O-N 2.95Å; Q143-G145 VanDerWaalsContact C-N 3.28Å; Q143-G145 PolarHBondContact O-N 2.63Å; Q143-R146 CarbonylContact O-C 3.58Å; Q143-R146 WeakPolarHBondContact O-CA 3.19Å; Q143-R146 WeakPolarHBondContact O-CB 3.43Å; Q143-R146 PolarHBondContact O-N 2.83Å; Q143-E147 PolarHBondContact NE2-OE1 2.81Å; Q143-E147 PolarHBondContact O-N 2.93Å |
| 144 | T | 72.6 | Confident | 74.1 | Confident | 62 Ų | 62 | 101.8 Ų | 101.8 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -54.8 | -43.8 | 170.8 | -68.7 | 0 | 0 | 0 | 0 | 111 | D140 R146 E147 H148 | D140-T144 WeakPolarHBondContact O-CB 3.49Å; D140-T144 PolarHBondContact O-N 3.14Å; D140-T144 PolarHBondContact O-OG1 3.13Å; D140-T144 PolarHBondContact OD2-OG1 2.82Å; T144-R146 VanDerWaalsContact C-N 3.3Å; T144-R146 PolarHBondContact O-N 3.34Å; T144-E147 PolarHBondContact O-N 3.28Å; T144-H148 PolarHBondContact O-CD2 3.42Å; T144-H148 PolarHBondContact O-N 3.37Å |
| 145 | G | 68.6 | Low | 72.2 | Confident | 44 Ų | 44 | 99.8 Ų | 99.8 | 45% | 0.454 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -32.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E141 Q143 A149 | E141-G145 PolarHBondContact O-N 2.81Å; Q143-G145 VanDerWaalsContact C-N 3.28Å; Q143-G145 PolarHBondContact O-N 2.63Å; G145-A149 PolarHBondContact O-N 3.29Å |
| 146 | R | 69.5 | Low | 70.2 | Confident | 149 Ų | 149 | 101.1 Ų | 101.1 | 56% | 0.562 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.2 | -41.3 | 173 | -75.5 | 165.3 | 176.1 | -133.2 | -9.2 | 112.1 | R142 Q143 T144 A149 V150 | R142-R146 VanDerWaalsContact O-CD 3.3Å; R142-R146 WeakPolarHBondContact O-CD 3.31Å; R142-R146 WeakPolarHBondContact O-CG 3.44Å; R142-R146 PolarHBondContact O-N 3.37Å; Q143-R146 CarbonylContact O-C 3.58Å; Q143-R146 WeakPolarHBondContact O-CA 3.19Å; Q143-R146 WeakPolarHBondContact O-CB 3.43Å; Q143-R146 PolarHBondContact O-N 2.83Å; T144-R146 VanDerWaalsContact C-N 3.3Å; T144-R146 PolarHBondContact O-N 3.34Å; R146-A149 PolarHBondContact O-N 3.28Å; R146-V150 WeakPolarHBondContact O-CB 3.37Å; R146-V150 VanDerWaalsContact O-CG2 3.3Å; R146-V150 WeakPolarHBondContact O-CG2 3.4Å; R146-V150 PolarHBondContact O-N 2.74Å |
| 147 | E | 63.8 | Low | 68.1 | Low | 114 Ų | 114 | 102.7 Ų | 102.7 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.8 | -37.7 | -179.5 | -71.8 | -177.9 | -164.4 | 0 | 0 | 111.6 | Q143 T144 V150 A151 | Q143-E147 PolarHBondContact NE2-OE1 2.81Å; Q143-E147 PolarHBondContact O-N 2.93Å; T144-E147 PolarHBondContact O-N 3.28Å; E147-V150 PolarHBondContact O-N 2.8Å; E147-A151 WeakPolarHBondContact O-CB 3.35Å; E147-A151 PolarHBondContact O-N 3.21Å |
| 148 | H | 58.9 | Low | 65.9 | Low | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.3 | -44.7 | 167.6 | -89.1 | -90.8 | 0 | 0 | 0 | 112.4 | T144 V150 A151 I152 | T144-H148 PolarHBondContact O-CD2 3.42Å; T144-H148 PolarHBondContact O-N 3.37Å; H148-V150 PolarHBondContact O-N 2.95Å; H148-A151 PolarHBondContact O-N 3.29Å; H148-I152 WeakPolarHBondContact O-CD1 3.45Å; H148-I152 VanDerWaalsContact O-CG1 3.31Å; H148-I152 WeakPolarHBondContact O-CG1 3.3Å; H148-I152 PolarHBondContact O-N 3.35Å; H148-I152 VanDerWaalsContact O-N 3.1Å |
| 149 | A | 58.8 | Low | 63.8 | Low | 51 Ų | 51 | 103.6 Ų | 103.6 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.8 | -37 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G145 R146 S153 | G145-A149 PolarHBondContact O-N 3.29Å; R146-A149 PolarHBondContact O-N 3.28Å; A149-S153 WeakPolarHBondContact O-CB 3.45Å; A149-S153 PolarHBondContact O-N 3.49Å; A149-S153 PolarHBondContact O-OG 3.32Å |
| 150 | V | 60 | Low | 61.5 | Low | 80 Ų | 80 | 106.6 Ų | 106.6 | 49% | 0.485 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.7 | -40.4 | 176.1 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | R146 E147 H148 I152 S153 L154 | R146-V150 WeakPolarHBondContact O-CB 3.37Å; R146-V150 VanDerWaalsContact O-CG2 3.3Å; R146-V150 WeakPolarHBondContact O-CG2 3.4Å; R146-V150 PolarHBondContact O-N 2.74Å; E147-V150 PolarHBondContact O-N 2.8Å; H148-V150 PolarHBondContact O-N 2.95Å; V150-I152 VanDerWaalsContact C-N 3.33Å; V150-I152 PolarHBondContact O-N 2.92Å; V150-S153 PolarHBondContact O-N 3.11Å; V150-S153 VanDerWaalsContact O-N 3.16Å; V150-L154 HydrophobicContact CG1-CD1 3.79Å; V150-L154 HydrophobicContact CG1-CG 4.17Å; V150-L154 WeakPolarHBondContact O-CB 3.35Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 3.3Å |
| 151 | A | 57.8 | Low | 59.5 | Low | 55 Ų | 55 | 107.3 Ų | 107.3 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E147 H148 S155 | E147-A151 WeakPolarHBondContact O-CB 3.35Å; E147-A151 PolarHBondContact O-N 3.21Å; H148-A151 PolarHBondContact O-N 3.29Å; A151-S155 PolarHBondContact O-N 3.4Å; A151-S155 PolarHBondContact O-OG 3.27Å |
| 152 | I | 58.4 | Low | 57.1 | Low | 107 Ų | 107 | 110 Ų | 110 | 55% | 0.549 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.3 | -44.4 | 172.2 | -66.1 | 164.5 | 0 | 0 | 0 | 110.5 | H148 V150 S155 H156 | H148-I152 WeakPolarHBondContact O-CD1 3.45Å; H148-I152 VanDerWaalsContact O-CG1 3.31Å; H148-I152 WeakPolarHBondContact O-CG1 3.3Å; H148-I152 PolarHBondContact O-N 3.35Å; H148-I152 VanDerWaalsContact O-N 3.1Å; V150-I152 VanDerWaalsContact C-N 3.33Å; V150-I152 PolarHBondContact O-N 2.92Å; I152-S155 WeakPolarHBondContact O-CB 3.5Å; I152-S155 PolarHBondContact O-N 3.2Å; I152-H156 PolarHBondContact O-CD2 3.38Å; I152-H156 VanDerWaalsContact O-CD2 3.3Å |
| 153 | S | 55.2 | Low | 54.6 | Low | 71 Ų | 71 | 108.3 Ų | 108.3 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.6 | -43.2 | 179.8 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | A149 V150 S155 H156 | A149-S153 WeakPolarHBondContact O-CB 3.45Å; A149-S153 PolarHBondContact O-N 3.49Å; A149-S153 PolarHBondContact O-OG 3.32Å; V150-S153 PolarHBondContact O-N 3.11Å; V150-S153 VanDerWaalsContact O-N 3.16Å; S153-S155 PolarHBondContact O-N 2.84Å; S153-H156 PolarHBondContact O-N 3.26Å |
| 154 | L | 51.8 | Low | 52.6 | Low | 110 Ų | 110 | 110 Ų | 110 | 58% | 0.576 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64 | -27.6 | 178.2 | -72.5 | 169.8 | 0 | 0 | 0 | 112.3 | V150 H156 T157 | V150-L154 HydrophobicContact CG1-CD1 3.79Å; V150-L154 HydrophobicContact CG1-CG 4.17Å; V150-L154 WeakPolarHBondContact O-CB 3.35Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 3.3Å; L154-H156 PolarHBondContact O-N 3.15Å; L154-T157 PolarHBondContact O-N 3.16Å; L154-T157 PolarHBondContact O-OG1 2.94Å |
| 155 | S | 51.1 | Low | 50.7 | Low | 96 Ų | 96 | 110.1 Ų | 110.1 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -12.2 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | A151 I152 S153 | A151-S155 PolarHBondContact O-N 3.4Å; A151-S155 PolarHBondContact O-OG 3.27Å; I152-S155 WeakPolarHBondContact O-CB 3.5Å; I152-S155 PolarHBondContact O-N 3.2Å; S153-S155 PolarHBondContact O-N 2.84Å |
| 156 | H | 49.7 | Very low | 48.9 | Very low | 156 Ų | 156 | 115.6 Ų | 115.6 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -3.7 | 179.7 | -70.4 | -68.6 | 0 | 0 | 0 | 114.9 | I152 S153 L154 | I152-H156 PolarHBondContact O-CD2 3.38Å; I152-H156 VanDerWaalsContact O-CD2 3.3Å; S153-H156 PolarHBondContact O-N 3.26Å; L154-H156 PolarHBondContact O-N 3.15Å |
| 157 | T | 47.1 | Very low | 47 | Very low | 106 Ų | 106 | 115 Ų | 115 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -98.6 | -6.5 | -173.9 | 49 | 0 | 0 | 0 | 0 | 115.6 | L154 C159 | L154-T157 PolarHBondContact O-N 3.16Å; L154-T157 PolarHBondContact O-OG1 2.94Å; T157-C159 PolarHBondContact O-N 3.3Å |
| 158 | S | 44.4 | Very low | 45.6 | Very low | 113 Ų | 113 | 113.5 Ų | 113.5 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | | | trans | -93.6 | 40.7 | -172.2 | -168.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 159 | C | 45.7 | Very low | 44.3 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 83% | 0.831 | 69% | 0.689 | S | S | * | * | | | trans | -127.4 | 86.6 | 175.7 | -72.8 | 0 | 0 | 0 | 0 | 111.2 | T157 | T157-C159 PolarHBondContact O-N 3.3Š|
| 160 | K | 40.3 | Very low | 43 | Very low | 199 Ų | 199 | 118.1 Ų | 118.1 | 87% | 0.865 | 70% | 0.703 | S | S | * | * | | | trans | -134.8 | 112.9 | 174.1 | -160.8 | 75.9 | 174 | -174.5 | 0 | 110.7 | | |
| 161 | S | 44.8 | Very low | 41.6 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | | | trans | -48.6 | 150.5 | -174.6 | 37.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 162 | Q | 38 | Very low | 40.3 | Very low | 199 Ų | 199 | 122 Ų | 122 | 93% | 0.93 | 73% | 0.731 | S | S | * | * | | | trans | -114.8 | 156.6 | 147.5 | -162.5 | 165.7 | 26.3 | 0 | 0 | 108.3 | | |
| 163 | S | 34.1 | Very low | 39.1 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | trans | -130.9 | 145.8 | -156.5 | -174.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 164 | C | 35.2 | Very low | 38 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | -154.1 | 131.2 | 154.9 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 165 | G | 31.8 | Very low | 37.1 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | | | trans | -89.9 | -178.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 166 | D | 30.8 | Very low | 36.2 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | cis | -119.7 | 175.9 | 1.1 | -98 | -101.6 | 0 | 0 | 0 | 108.8 | | |
| 167 | D | 30.2 | Very low | 35.4 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | cis | -166.8 | 163.7 | 44.9 | -152.8 | -51.9 | 0 | 0 | 0 | 112.2 | | |
| 168 | S | 32.8 | Very low | 34.8 | Very low | 84 Ų | 84 | 121 Ų | 121 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | | | trans | 66.3 | 90.5 | 154.8 | -71.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 169 | H | 31.7 | Very low | 34.3 | Very low | 170 Ų | 170 | 121 Ų | 121 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | | | | 79 | 99.4 | 128.8 | -58.6 | -54.2 | 0 | 0 | 0 | 123.9 | | |
| 170 | S | 32.2 | Very low | 33.6 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | | 86.3 | 105.9 | 119 | -57.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 171 | S | 30.6 | Very low | 33.3 | Very low | 110 Ų | 110 | 116 Ų | 116 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | | 97.5 | 118.8 | 129.2 | -59.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 172 | S | 31.1 | Very low | 32.6 | Very low | 108 Ų | 108 | 115.6 Ų | 115.6 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | 90.7 | 105.7 | 139.3 | -58.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 173 | S | 31.8 | Very low | 32.6 | Very low | 106 Ų | 106 | 111.6 Ų | 111.6 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | | 80.1 | 99.2 | 124.9 | -55.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 174 | S | 32.7 | Very low | 32.6 | Very low | 110 Ų | 110 | 112 Ų | 112 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | | 73.1 | 134 | 112.5 | -54.5 | 0 | 0 | 0 | 0 | 123 | | |
| 175 | S | 32.7 | Very low | 32.5 | Very low | 107 Ų | 107 | 111.7 Ų | 111.7 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | trans | 83.5 | 104 | 138.7 | -63.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 176 | S | 33.2 | Very low | 32.7 | Very low | 95 Ų | 95 | 114.3 Ų | 114.3 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | | | | 66.9 | 100.1 | 111.9 | -52.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 177 | S | 32.4 | Very low | 33.5 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | | 75.4 | 162.6 | 119.5 | 79.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 178 | S | 33.4 | Very low | 33.4 | Very low | 101 Ų | 101 | 109.7 Ų | 109.7 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | 80.6 | 117.4 | 170.1 | -50.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 179 | S | 34.7 | Very low | 33.2 | Very low | 113 Ų | 113 | 113 Ų | 113 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | | 65.3 | 128.2 | 69.9 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 180 | S | 32.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 109.9 Ų | 109.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | cis | -168.6 | 175.3 | 45.7 | -43.9 | 0 | 0 | 0 | 0 | 113 | | |
| 181 | S | 33.1 | Very low | 33.3 | Very low | 110 Ų | 110 | 108 Ų | 108 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | | 25.6 | 147.7 | 124.7 | -57.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 182 | S | 30.4 | Very low | 33.7 | Very low | 102 Ų | 102 | 110.3 Ų | 110.3 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | cis | -169.3 | 160.4 | -1.1 | -93.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 183 | S | 37 | Very low | 33.9 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | 26.7 | 124.7 | 147.5 | -47.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 184 | S | 34.1 | Very low | 33.9 | Very low | 121 Ų | 121 | 118.2 Ų | 118.2 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | | -164.6 | 160.9 | 128.1 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 185 | S | 33 | Very low | 34.2 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -123.3 | 173 | -172.1 | -44.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 186 | C | 36.2 | Very low | 34.1 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | cis | -157.4 | -162.1 | 20 | -132.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 187 | P | 47.4 | Very low | 34.1 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | cis | -132.6 | -174.1 | -0.7 | 43.9 | -27.1 | 0 | 0 | 0 | 115 | | |
| 188 | G | 27.7 | Very low | 34 | Very low | 70 Ų | 70 | 122.5 Ų | 122.5 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 131.9 | 91 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 189 | N | 29.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 55.4 | 129.3 | 139.2 | -153.6 | 60.9 | 0 | 0 | 0 | 123.1 | | |
| 190 | S | 34 | Very low | 33.7 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 54.1 | 110.8 | 152.6 | 65.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 191 | G | 32.5 | Very low | 33.6 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | | | trans | -171.1 | 121.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 192 | D | 39.7 | Very low | 33.7 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -73.9 | 139.5 | -177.3 | -135.7 | -104.1 | 0 | 0 | 0 | 111.4 | | |
| 193 | W | 35.3 | Very low | 33.7 | Very low | 241 Ų | 241 | 133.5 Ų | 133.5 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | | | trans | -148.4 | 110.1 | 173.6 | -71.5 | 107.3 | 0 | 0 | 0 | 112 | | |
| 194 | D | 31.3 | Very low | 33.5 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -94.6 | 136.3 | 174.2 | 177 | 43.7 | 0 | 0 | 0 | 111.4 | | |
| 195 | P | 39.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -113.2 | 76.8 | -178.5 | 39.8 | -31 | 0 | 0 | 0 | 114.4 | | |
| 196 | S | 31 | Very low | 33.1 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | -163.4 | 154.5 | 156.2 | -90.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 197 | S | 32.7 | Very low | 32.8 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | | | trans | 75.2 | 138.1 | 175.8 | -35.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 198 | F | 28.8 | Very low | 31.8 | Very low | 203 Ų | 203 | 141.6 Ų | 141.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | cis | -131.1 | 160.9 | 10.8 | -80.3 | -87.8 | 0 | 0 | 0 | 113.7 | | |
| 199 | L | 32.4 | Very low | 31.8 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -77.8 | 158.8 | 164.4 | -74.7 | 164.7 | 0 | 0 | 0 | 111.7 | | |
| 200 | S | 29.9 | Very low | 31.7 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | 73.2 | 139.7 | 173.1 | -49.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 201 | A | 31.1 | Very low | 31.8 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | cis | -140.4 | 151.1 | 27.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 202 | H | 34.9 | Very low | 31.5 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | -69.7 | 127.8 | 165.7 | -133.3 | -112.2 | 0 | 0 | 0 | 110.1 | | |
| 203 | K | 30.3 | Very low | 30.9 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | -157.7 | 101.6 | 154.4 | -123.2 | 170.7 | -175.2 | -179.3 | 0 | 115.6 | | |
| 204 | L | 33.2 | Very low | 30.5 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | 59.3 | 107.8 | 145.7 | -58.9 | 175.2 | 0 | 0 | 0 | 119.7 | | |
| 205 | S | 28.8 | Very low | 30.1 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | -64.7 | 152.6 | 151.2 | -41.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 206 | G | 28.9 | Very low | 29.6 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | 94.7 | 112 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 207 | L | 30.5 | Very low | 29.7 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -157.6 | 84 | 151.4 | -112.8 | -180 | 0 | 0 | 0 | 110.3 | | |
| 208 | W | 27.2 | Very low | 30.4 | Very low | 256 Ų | 256 | 145.7 Ų | 145.7 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | | | trans | -149.6 | 86.4 | 159.5 | -101.7 | 92.1 | 0 | 0 | 0 | 109.4 | | |
| 209 | N | 27.9 | Very low | 30.3 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | | | trans | -164.5 | 135.5 | 144.5 | -109.8 | -58.2 | 0 | 0 | 0 | 109.2 | | |
| 210 | S | 26.3 | Very low | 30.1 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -159.7 | 154.8 | -177.2 | -123.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 211 | P | 36.8 | Very low | 30.1 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | | -133.7 | 161.5 | -104.9 | 36.4 | -19.8 | 0 | 0 | 0 | 116.2 | | |
| 212 | H | 25.7 | Very low | 30.4 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -139.9 | 131.6 | 167.8 | -69 | -77.8 | 0 | 0 | 0 | 106.7 | | |
| 213 | S | 25.8 | Very low | 30.2 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | cis | -153.1 | 158.5 | 8.1 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 214 | S | 28.5 | Very low | 30.4 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | 42 | 125.8 | 140.2 | 64.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 215 | E | 23.2 | Very low | 31.8 | Very low | 192 Ų | 192 | 129.3 Ų | 129.3 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | -139.4 | 157.6 | 141.4 | -133.6 | 171.2 | 74.7 | 0 | 0 | 106.8 | | |
| 216 | A | 28.2 | Very low | 33.2 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | | | cis | -157.4 | 145.8 | 21.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 217 | M | 32.3 | Very low | 33.8 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | | | trans | 64.2 | 164 | 133.4 | -68.3 | -62.5 | -85.8 | 0 | 0 | 121.1 | | |
| 218 | P | 48.4 | Very low | 34.4 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | cis | -128.8 | 167.2 | 5.5 | 41.1 | -26.2 | 0 | 0 | 0 | 117.2 | | |
| 219 | G | 25.4 | Very low | 35.7 | Very low | 62 Ų | 62 | 125.1 Ų | 125.1 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | | | trans | 172.4 | 63.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 220 | S | 29.2 | Very low | 36.5 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | 39.6 | 127.2 | 148.5 | 59.2 | 0 | 0 | 0 | 0 | 125.7 | | |
| 221 | S | 29 | Very low | 37.4 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | 88.2 | 109.5 | 135.9 | -72.8 | 0 | 0 | 0 | 0 | 125.8 | | |
| 222 | L | 38.7 | Very low | 37.5 | Very low | 171 Ų | 171 | 124.3 Ų | 124.3 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | | 55.1 | 122.7 | 126.3 | -57 | 175.6 | 0 | 0 | 0 | 124.2 | | |
| 223 | G | 30.1 | Very low | 37.8 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 105 | 135.7 | 134.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 224 | S | 34.9 | Very low | 39 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -120.1 | 178.8 | -178.4 | -34.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 225 | P | 61.7 | Low | 38.7 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | cis | -125.9 | -125.8 | -9.2 | 36.1 | -12.1 | 0 | 0 | 0 | 110.6 | | |
| 226 | P | 57.7 | Low | 39 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | cis | -135.9 | 162.5 | -35.4 | 36.4 | -17.1 | 0 | 0 | 0 | 118.4 | | |
| 227 | T | 43.2 | Very low | 39 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | 63.4 | 154.2 | 152.9 | -44.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 228 | I | 42.3 | Very low | 39 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | | | trans | -153.3 | 164.1 | -153.6 | -95.3 | 165.5 | 0 | 0 | 0 | 109.5 | | |
| 229 | P | 54.1 | Low | 38.2 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | cis | -139.9 | -163.9 | 22.4 | 45.3 | -25.6 | 0 | 0 | 0 | 117.8 | | |
| 230 | G | 46.1 | Very low | 38.5 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 163.6 | 146.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 231 | E | 44.1 | Very low | 38.5 | Very low | 201 Ų | 201 | 137.5 Ų | 137.5 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | | | trans | -96.6 | 160.1 | -166.5 | -68 | -175.7 | 92.6 | 0 | 0 | 119.1 | | |
| 232 | A | 39.4 | Very low | 38.5 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | | | trans | 83.5 | 85.4 | 145 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 233 | F | 32.6 | Very low | 38.1 | Very low | 205 Ų | 205 | 137 Ų | 137 | 90% | 0.899 | 80% | 0.797 | S | S | * | * | | | trans | 56.7 | 151.6 | 138.4 | -53.4 | -67.1 | 0 | 0 | 0 | 123 | | |
| 234 | P | 49.1 | Very low | 38.7 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | cis | -134.8 | -165.2 | -26.4 | 37.3 | -17.2 | 0 | 0 | 0 | 113.7 | | |
| 235 | V | 23 | Very low | 38.7 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | 83.9 | 157.1 | 167.9 | 178.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 236 | S | 28.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -102.4 | 162.2 | -155 | -43.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 237 | E | 29.4 | Very low | 37.2 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 82.1 | 115.5 | 141.9 | -142.4 | 123.6 | 115 | 0 | 0 | 121.1 | | |
| 238 | H | 31.6 | Very low | 37.9 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | 75.5 | 125.6 | 146.8 | -108.3 | -82.4 | 0 | 0 | 0 | 122.3 | | |
| 239 | H | 31.2 | Very low | 37.4 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | | | trans | 90.2 | 133.7 | 153.1 | -57.7 | 119.3 | 0 | 0 | 0 | 123.3 | | |
| 240 | Q | 33.1 | Very low | 36.2 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | 80.6 | 159.5 | 143.7 | -75 | 173.4 | 90.2 | 0 | 0 | 121.7 | | |
| 241 | H | 28 | Very low | 36.8 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | -112.2 | 149.4 | -176.7 | -61.8 | -117.4 | 0 | 0 | 0 | 111.2 | | |
| 242 | S | 30.4 | Very low | 36.3 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 149.3 | 105 | 131.7 | -64.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 243 | D | 30.4 | Very low | 35.7 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | | 58.7 | 157.1 | 120.2 | -137.2 | -16.7 | 0 | 0 | 0 | 124.9 | | |
| 244 | L | 41.3 | Very low | 35.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | 96.5 | 120.1 | 156.9 | -55.4 | -177.9 | 0 | 0 | 0 | 123.9 | | |
| 245 | T | 35.9 | Very low | 34.7 | Very low | 143 Ų | 143 | 138 Ų | 138 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | trans | 103.9 | 144.1 | 142.7 | -23.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 246 | A | 29.5 | Very low | 36.1 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | trans | -154.1 | -164.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 247 | P | 57.7 | Low | 36.4 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | cis | -110.1 | -99.7 | -17.5 | 29.8 | -7.9 | 0 | 0 | 0 | 112.5 | | |
| 248 | P | 57.9 | Low | 37.3 | Very low | 94 Ų | 94 | 137 Ų | 137 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | | | cis | -133.5 | 178.4 | -5.6 | 44 | -26.1 | 0 | 0 | 0 | 118.2 | | |
| 249 | N | 31.8 | Very low | 37.2 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | | | trans | 78 | 156.1 | 152.4 | -66.7 | -20.6 | 0 | 0 | 0 | 122.5 | | |
| 250 | S | 29.4 | Very low | 37.1 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -147.3 | -141.3 | -153.9 | -55 | 0 | 0 | 0 | 0 | 114.2 | | |
| 251 | P | 57.9 | Low | 36.8 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | | | | -124 | -148.1 | -99.1 | 40.5 | -22 | 0 | 0 | 0 | 114.3 | | |
| 252 | T | 34.1 | Very low | 36.8 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | 97 | 144.1 | 170 | -37.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 253 | G | 28 | Very low | 37.8 | Very low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | | | cis | 178.2 | -165.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 254 | H | 29.8 | Very low | 37.6 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 89% | 0.889 | 77% | 0.771 | S | S | * | * | | | trans | -60.6 | 160.4 | -169.9 | -46 | -101.3 | 0 | 0 | 0 | 118.2 | | |
| 255 | H | 30.1 | Very low | 37.2 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | | 162 | 157.6 | 114.8 | -161.6 | -99.5 | 0 | 0 | 0 | 113.7 | | |
| 256 | P | 51.4 | Low | 37.9 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | | | trans | -95.7 | -179.1 | 178 | -5.9 | 27.2 | 0 | 0 | 0 | 117.1 | | |
| 257 | Q | 35.4 | Very low | 37.8 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | -11 | 139.3 | 161.2 | -61.3 | -71.2 | -14 | 0 | 0 | 117.4 | | |
| 258 | P | 48 | Very low | 36.6 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | | -149.2 | -161.8 | 81 | 41.3 | -21.8 | 0 | 0 | 0 | 116.2 | | |
| 259 | A | 31 | Very low | 35.2 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -107.7 | -172.6 | -158.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 260 | S | 28.5 | Very low | 35 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | 100.4 | 146.5 | -179.7 | -42.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 261 | L | 26.4 | Very low | 35 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | cis | -134.7 | 176.3 | 19.5 | -76.7 | 163.8 | 0 | 0 | 0 | 114.1 | | |
| 262 | I | 27.3 | Very low | 34.7 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | -115.4 | -172.7 | 176.4 | 9 | 170.1 | 0 | 0 | 0 | 109.3 | | |
| 263 | P | 51.2 | Low | 35 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | | | cis | -134 | -179 | -24.2 | 35.2 | -17.4 | 0 | 0 | 0 | 113.8 | | |
| 264 | S | 26.3 | Very low | 35.7 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -159.8 | 142.1 | 132.7 | -83.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 265 | H | 33.9 | Very low | 37 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | trans | -116.1 | 170.7 | -179.1 | -37.8 | -76.7 | 0 | 0 | 0 | 109.8 | | |
| 266 | P | 49.4 | Very low | 36.9 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | | -150 | 153.5 | 102.8 | 37.7 | -22.3 | 0 | 0 | 0 | 116.4 | | |
| 267 | S | 28.9 | Very low | 35.7 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | 65.9 | 149.4 | 162.9 | -120.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 268 | S | 32 | Very low | 35.4 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | | | cis | -141.1 | 157.3 | 2.2 | -165.8 | 0 | 0 | 0 | 0 | 112 | | |
| 269 | F | 27.3 | Very low | 35.5 | Very low | 197 Ų | 197 | 127.5 Ų | 127.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -41.2 | 144.8 | 175.2 | -53.9 | -101.6 | 0 | 0 | 0 | 114.7 | | |
| 270 | G | 27.6 | Very low | 35.3 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | cis | 113.8 | 118.8 | -5.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 271 | S | 30.3 | Very low | 35.6 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -163.7 | 138.8 | 154.2 | -81.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 272 | P | 51.1 | Low | 36.3 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | -96 | -161 | 174.7 | 44.5 | -39.3 | 0 | 0 | 0 | 110.2 | | |
| 273 | P | 41.4 | Very low | 36.3 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | cis | -140.4 | -171.1 | 2.3 | 39.1 | -16.4 | 0 | 0 | 0 | 116.9 | | |
| 274 | H | 41.7 | Very low | 35.5 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -67.8 | 172.1 | 152.7 | -57.4 | -79.7 | 0 | 0 | 0 | 110.9 | | |
| 275 | P | 57.8 | Low | 36.1 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | cis | -133.1 | -156.5 | 7.2 | 43.2 | -24.4 | 0 | 0 | 0 | 112.9 | | |
| 276 | H | 27.6 | Very low | 35.8 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | 161.8 | 125.4 | 134 | -83.2 | -61.2 | 0 | 0 | 0 | 111.5 | | |
| 277 | L | 27.3 | Very low | 35.3 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 71% | 0.707 | 75% | 0.751 | S | S | * | * | | | | 56.7 | 107.4 | 107.5 | -53.6 | -178.8 | 0 | 0 | 0 | 115 | | |
| 278 | L | 28.1 | Very low | 35.2 | Very low | 158 Ų | 158 | 123 Ų | 123 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | | | | 112.2 | 158.2 | 75.7 | -90.5 | -179.4 | 0 | 0 | 0 | 109.5 | | |
| 279 | P | 50.2 | Low | 35.1 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | | | trans | -110.1 | 170.8 | -163.8 | 41.5 | -35.1 | 0 | 0 | 0 | 114.7 | | |
| 280 | T | 27.7 | Very low | 35.1 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | | | trans | -130.6 | 98.8 | 161.2 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 281 | T | 33.9 | Very low | 35.2 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | trans | -66.7 | 155.2 | 162.2 | -18.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 282 | P | 42.4 | Very low | 35.1 | Very low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | | -144 | 156.3 | 92.6 | 36.2 | -21.3 | 0 | 0 | 0 | 113.9 | | |
| 283 | A | 26.4 | Very low | 33.8 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | | | cis | -157.3 | 160.3 | -16.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 284 | A | 33.3 | Very low | 34.4 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | trans | -84.1 | -167.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 285 | P | 40.2 | Very low | 33.6 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 62% | 0.623 | 76% | 0.759 | S | S | * | * | | | cis | -142.6 | 161.6 | 19.7 | 27.1 | -0.4 | 0 | 0 | 0 | 118.4 | | |
| 286 | F | 27.4 | Very low | 32.3 | Very low | 192 Ų | 192 | 125.1 Ų | 125.1 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | | | | 164.3 | 154.6 | 109 | -90 | -66.5 | 0 | 0 | 0 | 112.9 | | |
| 287 | P | 39.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | trans | -132.3 | 164.5 | -170.5 | 43.6 | -28.7 | 0 | 0 | 0 | 118.3 | | |
| 288 | A | 26.1 | Very low | 32.4 | Very low | 88 Ų | 88 | 120.4 Ų | 120.4 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 73.6 | 155.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 289 | Q | 30.1 | Very low | 32.3 | Very low | 197 Ų | 197 | 119.4 Ų | 119.4 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | 76.2 | 144.7 | 167.9 | -46.8 | -163 | 63.9 | 0 | 0 | 116.6 | | |
| 290 | A | 26 | Very low | 31.3 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | cis | -139 | 173.6 | -3.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 291 | S | 30.2 | Very low | 31.9 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | -166 | 153.6 | 65.5 | -177.6 | 0 | 0 | 0 | 0 | 114 | | |
| 292 | E | 27.8 | Very low | 31.7 | Very low | 163 Ų | 163 | 119.4 Ų | 119.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -69.5 | 176.7 | 166.9 | -68.9 | 151.5 | 85.5 | 0 | 0 | 113.2 | | |
| 293 | C | 24.8 | Very low | 31.3 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | | | cis | 178.7 | -158.6 | -23 | -89.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 294 | P | 53.1 | Low | 32 | Very low | 120 Ų | 120 | 121.5 Ų | 121.5 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | cis | -127.4 | 170.4 | -34.8 | 20.7 | 1.5 | 0 | 0 | 0 | 114.4 | | |
| 295 | V | 25.6 | Very low | 31.7 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 92% | 0.915 | 78% | 0.775 | S | S | * | * | | | trans | -174.9 | 151.1 | 141.6 | 134.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 296 | A | 29.8 | Very low | 32 | Very low | 92 Ų | 92 | 121.9 Ų | 121.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -161.9 | 166.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 297 | A | 28.1 | Very low | 31.8 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | 67.1 | 149.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 298 | A | 29.1 | Very low | 31.2 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -178.8 | 160.6 | -13.1 | 0 | 0 | 0 | 0 | 0 | 103.6 | | |
| 299 | T | 25.8 | Very low | 31.4 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | | -171.9 | 162 | 56 | -46.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 300 | A | 30.2 | Very low | 31.1 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | trans | -77 | -177.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 301 | P | 40.2 | Very low | 31.3 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | | | cis | -147.7 | -163.9 | 17.1 | 40.2 | -15.8 | 0 | 0 | 0 | 117.6 | | |
| 302 | H | 29.5 | Very low | 31.2 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | | | trans | 75.7 | 124.6 | 157.6 | 69.1 | -112.1 | 0 | 0 | 0 | 122.1 | | |
| 303 | T | 34 | Very low | 32 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -93.6 | 160.1 | 154.6 | 58.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 304 | P | 40.1 | Very low | 32 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | | -154.8 | 169.9 | 79.7 | 41.2 | -22 | 0 | 0 | 0 | 117.2 | | |
| 305 | G | 27.3 | Very low | 30.9 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | 104.2 | 160.3 | 146 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 306 | P | 46.3 | Very low | 31.1 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -135.3 | -177.5 | -155.6 | 42.4 | -23.7 | 0 | 0 | 0 | 116.8 | | |
| 307 | C | 24.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | 79.7 | 167.7 | 156.7 | -63.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 308 | Q | 26.6 | Very low | 31.9 | Very low | 180 Ų | 180 | 122 Ų | 122 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | trans | 87 | 96.5 | 171.5 | -52.9 | -62.4 | 10.6 | 0 | 0 | 119.7 | | |
| 309 | S | 30.1 | Very low | 32 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | | | trans | -25.6 | 146.4 | 137.1 | 175.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 310 | S | 24.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | | | | -162.7 | 157.1 | 129.4 | -88.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 311 | H | 29.9 | Very low | 32.3 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 73% | 0.731 | 76% | 0.759 | S | S | * | * | | | trans | -90.2 | 154.9 | -169.7 | -97.5 | -113.5 | 0 | 0 | 0 | 115.1 | | |
| 312 | L | 29.4 | Very low | 32.1 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | | | trans | 66.6 | 175.8 | 145 | -67.2 | 168 | 0 | 0 | 0 | 118 | | |
| 313 | P | 43.3 | Very low | 32.3 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | cis | -130.8 | -164.8 | -13.6 | 21.8 | 3.6 | 0 | 0 | 0 | 114.5 | | |
| 314 | S | 25.9 | Very low | 33.2 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 90.5 | 124.8 | 152 | -94.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 315 | T | 29.2 | Very low | 34 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | | 92.4 | 128.4 | 66.2 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 316 | S | 30.6 | Very low | 34.2 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | cis | -166.5 | 164.5 | 2.9 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 317 | M | 31.3 | Very low | 33.6 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | 35.2 | 152.4 | 135.7 | -62.7 | -58.8 | 148.1 | 0 | 0 | 121.8 | L319 | M317-L319 HydrophobicContact SD-CB 4.35Š|
| 318 | P | 42.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | cis | -121.1 | 168 | 24.9 | 41.4 | -28.2 | 0 | 0 | 0 | 114.3 | | |
| 319 | L | 31.6 | Very low | 34.2 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | cis | 87.2 | 138.8 | 26.7 | -162.6 | 75.1 | 0 | 0 | 0 | 116.1 | M317 | M317-L319 HydrophobicContact SD-CB 4.35Š|
| 320 | L | 33.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | 112.4 | 136.2 | 163.9 | -58.9 | 176.8 | 0 | 0 | 0 | 114.1 | | |
| 321 | K | 29.1 | Very low | 34.7 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | cis | -146.7 | 147.3 | 4.1 | -170.5 | 76.1 | 178.6 | -173.6 | 0 | 111.4 | | |
| 322 | M | 36 | Very low | 35.7 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | | | trans | -83.9 | 169.2 | 172.7 | -66 | -72.5 | -70.4 | 0 | 0 | 113.3 | | |
| 323 | P | 34.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | | -110.1 | 155.6 | 126.4 | 33.2 | -32.7 | 0 | 0 | 0 | 112.8 | | |
| 324 | P | 51.8 | Low | 35.3 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -112.5 | 171.8 | -151.4 | 40.9 | -32.7 | 0 | 0 | 0 | 116.6 | | |
| 325 | P | 56.6 | Low | 35.5 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 58% | 0.584 | 78% | 0.777 | S | S | * | * | | | trans | -115.8 | 179.9 | -173.6 | 43.8 | -34.5 | 0 | 0 | 0 | 114.8 | | |
| 326 | F | 31.7 | Very low | 36 | Very low | 208 Ų | 208 | 131.2 Ų | 131.2 | 91% | 0.912 | 78% | 0.781 | S | S | * | * | | | trans | -134.1 | 123.2 | 144.6 | -61.8 | -78.1 | 0 | 0 | 0 | 107.3 | | |
| 327 | S | 34.8 | Very low | 36.1 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | cis | 92 | 104.9 | 38.2 | -63.4 | 0 | 0 | 0 | 0 | 113 | | |
| 328 | G | 28.8 | Very low | 36.1 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 175.6 | 119.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 329 | C | 33.4 | Very low | 35.7 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | | | trans | -80.9 | 176.5 | 168.8 | -45.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 330 | S | 30.1 | Very low | 35.9 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | cis | -159.4 | 165.7 | 10.9 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 331 | H | 36 | Very low | 35.7 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -68.4 | 168.4 | 162.4 | -55.2 | -85.6 | 0 | 0 | 0 | 111.6 | | |
| 332 | P | 50 | Low | 35.9 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | cis | -122.7 | 169 | -22 | 38.6 | -25.8 | 0 | 0 | 0 | 112.9 | | |
| 333 | C | 30.2 | Very low | 35.7 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | | | trans | -161.9 | 158.2 | 154.3 | -118.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 334 | S | 33.1 | Very low | 36.6 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -96.6 | 166.6 | -175.5 | -45.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 335 | G | 31.8 | Very low | 35.4 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | trans | 120.9 | 102.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 336 | H | 38 | Very low | 34.4 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | | | trans | 43.5 | 149.1 | 133.1 | -91.5 | -110.1 | 0 | 0 | 0 | 124.1 | | |
| 337 | C | 33.5 | Very low | 35.6 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | 57.9 | 161.4 | 162.7 | 79.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 338 | G | 31.1 | Very low | 36.4 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | | | cis | 164.3 | 118 | -11.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 339 | E | 33.3 | Very low | 37.4 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | 62.8 | 128.5 | 158.7 | -66.6 | -176.6 | 71.5 | 0 | 0 | 122.7 | | |
| 340 | H | 37 | Very low | 37.2 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | | | trans | 43.7 | 118 | 139.8 | -64.7 | -65.6 | 0 | 0 | 0 | 123.7 | | |
| 341 | C | 28.8 | Very low | 37.2 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | | | | -159 | 167.8 | 124 | -107.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 342 | S | 33.2 | Very low | 37.2 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -135.4 | 137.6 | -154.2 | -53.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 343 | G | 31.7 | Very low | 37.3 | Very low | 77 Ų | 77 | 127.2 Ų | 127.2 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | 68.3 | -167.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 344 | P | 53.4 | Low | 38.7 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | cis | -134.7 | -176.1 | -5.5 | 36.5 | -16.6 | 0 | 0 | 0 | 115.2 | | |
| 345 | L | 27.7 | Very low | 39.6 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | 148.5 | 151.5 | 134.8 | -74.6 | 179 | 0 | 0 | 0 | 116.2 | | |
| 346 | L | 33.8 | Very low | 39.4 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -156 | -173.8 | -171.5 | -79.6 | -178 | 0 | 0 | 0 | 108.9 | | |
| 347 | P | 57.8 | Low | 39 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -113.2 | -98.5 | -3.6 | 21.1 | 4.8 | 0 | 0 | 0 | 114.9 | | |
| 348 | P | 51.1 | Low | 39.2 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | cis | -116.8 | -140.3 | 8.9 | 49.3 | -33.4 | 0 | 0 | 0 | 113.1 | | |
| 349 | P | 49.8 | Very low | 39.1 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -136.2 | 171.3 | -132.4 | 38.6 | -14.6 | 0 | 0 | 0 | 121.8 | | |
| 350 | S | 30.2 | Very low | 39 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | 79.9 | 144.6 | 158.9 | -143.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 351 | S | 29.7 | Very low | 39.8 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | cis | -141.4 | -175.3 | 18.4 | -59.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 352 | Q | 35.1 | Very low | 39.8 | Very low | 181 Ų | 181 | 125 Ų | 125 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | -156.5 | -176.1 | -164.8 | -116.7 | -160.8 | -3.7 | 0 | 0 | 111.1 | | |
| 353 | P | 53.6 | Low | 39.6 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | cis | -136.4 | -127.1 | -25.2 | 41.1 | -17.6 | 0 | 0 | 0 | 113.8 | | |
| 354 | P | 59.5 | Low | 39.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | | | trans | -129.3 | -153.1 | -145.3 | 37.7 | -8.9 | 0 | 0 | 0 | 114.8 | | |
| 355 | P | 52 | Low | 38.5 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | | -138.3 | -158.5 | 85.8 | 42.5 | -27.2 | 0 | 0 | 0 | 111.6 | | |
| 356 | S | 27.1 | Very low | 38.9 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | cis | -165 | -177.8 | 10.3 | 60.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 357 | T | 30 | Very low | 38.7 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | cis | -154.9 | 172 | -4.8 | -24.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 358 | H | 37.3 | Very low | 37.5 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | -155.9 | 150.1 | 167.6 | 164.2 | -84 | 0 | 0 | 0 | 111.1 | D360 | H358-D360 IonicContact CE1-OD2 3.56Š|
| 359 | R | 29.7 | Very low | 36.5 | Very low | 222 Ų | 222 | 132.5 Ų | 132.5 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -176.8 | 130.3 | 157.3 | -105.3 | -170.7 | 172.2 | -154.8 | -6.7 | 111.2 | | |
| 360 | D | 30.3 | Very low | 35.8 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | | | | 73.5 | 158.1 | 84.9 | -85.5 | -117.5 | 0 | 0 | 0 | 115.8 | H358 | H358-D360 IonicContact CE1-OD2 3.56Š|
| 361 | P | 54 | Low | 35.8 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | cis | -140.2 | 176.5 | -26.8 | 37.5 | -18.9 | 0 | 0 | 0 | 115.6 | | |
| 362 | G | 28.9 | Very low | 35.8 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | | 85.5 | 109.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 363 | C | 28.6 | Very low | 35.7 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | trans | 70.6 | 141.7 | 132.1 | -64.2 | 0 | 0 | 0 | 0 | 125.6 | | |
| 364 | K | 32.8 | Very low | 34.5 | Very low | 218 Ų | 218 | 130.2 Ų | 130.2 | 95% | 0.948 | 76% | 0.758 | S | S | * | * | | | trans | 66.7 | 134.9 | 157.9 | -75 | -174.7 | 173.7 | -178.3 | 0 | 120.3 | | |
| 365 | G | 29.6 | Very low | 33 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | 156.5 | 27.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 125.9 | | |
| 366 | H | 35.4 | Very low | 31.9 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | 53.2 | 119.9 | 149.9 | -137.3 | -110.3 | 0 | 0 | 0 | 122.2 | | |
| 367 | K | 30.7 | Very low | 32.1 | Very low | 188 Ų | 188 | 134 Ų | 134 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | | -177.3 | 153.1 | 110.7 | 57.1 | -165.1 | 126.6 | -66.3 | 0 | 113 | | |
| 368 | F | 31.1 | Very low | 32.6 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | trans | -83.2 | 170.3 | -171.8 | -91.8 | -112.2 | 0 | 0 | 0 | 113.6 | H370 | F368-H370 HydrophobicContact CD1-CB 3.71Å; F368-H370 HydrophobicContact CE1-CB 4.09Å; F368-H370 AromaticContact CE1-CD2 3.85Å; F368-H370 AromaticContact CE1-CG 3.97Å |
| 369 | A | 30.9 | Very low | 32.3 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | cis | -143.4 | 166.2 | 23.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 370 | H | 35.2 | Very low | 33.2 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | | | cis | 79.4 | 130.6 | 21.9 | -153 | -89.2 | 0 | 0 | 0 | 113.3 | F368 | F368-H370 HydrophobicContact CD1-CB 3.71Å; F368-H370 HydrophobicContact CE1-CB 4.09Å; F368-H370 AromaticContact CE1-CD2 3.85Å; F368-H370 AromaticContact CE1-CG 3.97Å |
| 371 | S | 31.1 | Very low | 33 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | cis | -166.7 | 172.8 | -2.1 | 47.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 372 | G | 29.8 | Very low | 32 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | | | cis | -121.6 | -134.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 373 | L | 32.7 | Very low | 32.5 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | cis | -134.1 | 135.5 | -3.1 | -66.4 | 164.5 | 0 | 0 | 0 | 106.2 | | |
| 374 | A | 28 | Very low | 32.8 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | | 61 | 127.7 | 61.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 375 | C | 27.5 | Very low | 33.1 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | cis | -162.7 | 179.4 | -1.7 | -102.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 376 | Q | 28.3 | Very low | 33.4 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | cis | -159.6 | 170.6 | 6.1 | -133.3 | -63.9 | 82.2 | 0 | 0 | 109.3 | | |
| 377 | L | 32.3 | Very low | 33.4 | Very low | 136 Ų | 136 | 133 Ų | 133 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | -127.9 | 132.7 | 162.4 | 172.4 | 69.1 | 0 | 0 | 0 | 111.5 | | |
| 378 | P | 40.7 | Very low | 33.8 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | | | trans | -116.3 | 168.1 | 153 | -2.4 | 24.7 | 0 | 0 | 0 | 114.3 | | |
| 379 | Q | 30 | Very low | 34.1 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -105.9 | 176.6 | -173.4 | -110.4 | -157.9 | -72.6 | 0 | 0 | 113.4 | | |
| 380 | P | 48.3 | Very low | 34.7 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | trans | -93.8 | 179.8 | -168.2 | 40.3 | -39.3 | 0 | 0 | 0 | 114.8 | | |
| 381 | C | 26.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | 153.7 | 149.1 | 158.5 | -85.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 382 | E | 34.3 | Very low | 35.9 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | cis | -152.8 | -175.5 | -12.7 | -97.8 | -70 | 78.5 | 0 | 0 | 107.3 | | |
| 383 | A | 38.8 | Very low | 37 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -65.2 | 158.6 | -176 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 384 | D | 34.7 | Very low | 37.5 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | | -156.3 | 162 | 117.5 | -142.5 | 20 | 0 | 0 | 0 | 113 | | |
| 385 | E | 38.3 | Very low | 38.1 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -69.7 | 163.1 | 179.7 | 53.4 | -163.7 | 44 | 0 | 0 | 114.8 | | |
| 386 | G | 35.6 | Very low | 38.6 | Very low | 62 Ų | 62 | 141.2 Ų | 141.2 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | cis | 175.7 | -174 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 387 | L | 36.9 | Very low | 39 | Very low | 190 Ų | 190 | 145 Ų | 145 | 100% | 0.995 | 80% | 0.803 | S | S | * | * | | | trans | 67.5 | 145.8 | -167.9 | -42.3 | 172.9 | 0 | 0 | 0 | 112.8 | | |
| 388 | G | 38.3 | Very low | 39.1 | Very low | 61 Ų | 61 | 144.2 Ų | 144.2 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | | | cis | 176.6 | 162.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 389 | E | 37.1 | Very low | 39.1 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | 57.4 | 150.6 | 168.4 | 73.5 | -150.7 | 129.2 | 0 | 0 | 122.4 | | |
| 390 | E | 43.9 | Very low | 39.1 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | 57.2 | 144.3 | 169 | 66 | -168.5 | 163.2 | 0 | 0 | 123.7 | | |
| 391 | E | 46 | Very low | 38.4 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | | | trans | -108.4 | 168.8 | -172.5 | -84.1 | 162.4 | 22.1 | 0 | 0 | 112.1 | | |
| 392 | D | 45.6 | Very low | 38.6 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | 56.1 | 101.6 | 167.7 | -165.1 | 22 | 0 | 0 | 0 | 118.6 | | |
| 393 | S | 52.4 | Low | 38.5 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -149.1 | 124.5 | 138.5 | -86.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 394 | S | 43.4 | Very low | 38.2 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -60.4 | 143.3 | 178.5 | -73.6 | 0 | 0 | 0 | 0 | 113 | | |
| 395 | S | 41 | Very low | 38.8 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -151 | 116.9 | 164.3 | -87.2 | 0 | 0 | 0 | 0 | 112.3 | R397 | S395-R397 PolarHBondContact O-N 3.46Š|
| 396 | E | 38.3 | Very low | 38.7 | Very low | 193 Ų | 193 | 139 Ų | 139 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -75.4 | 111.7 | -174.1 | -57.6 | 167.3 | 93.6 | 0 | 0 | 112.2 | | |
| 397 | R | 36.3 | Very low | 39.4 | Very low | 235 Ų | 235 | 142.5 Ų | 142.5 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | -162.6 | 134.6 | 162.1 | -101.7 | 129.1 | 169.8 | -94.6 | -3.2 | 109.2 | S395 | S395-R397 PolarHBondContact O-N 3.46Š|
| 398 | S | 33.9 | Very low | 39.9 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | cis | -140.8 | 153.2 | 32.5 | -62 | 0 | 0 | 0 | 0 | 114.2 | | |
| 399 | S | 41.6 | Very low | 40 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -77.2 | 145.8 | 178.6 | -39 | 0 | 0 | 0 | 0 | 113.2 | | |
| 400 | C | 29.1 | Very low | 40.6 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | | | trans | -102.2 | 88.9 | 155.7 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 401 | T | 34.2 | Very low | 41.1 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | trans | -72.4 | 127.2 | 176.2 | 45.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 402 | S | 30.9 | Very low | 41.3 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -150.4 | 75.2 | 166.7 | -80.3 | 0 | 0 | 0 | 0 | 110.5 | S404 | S402-S404 PolarHBondContact O-N 3.1Š|
| 403 | S | 31.7 | Very low | 42 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -70.8 | 93.1 | 178.5 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 404 | S | 32.1 | Very low | 41.7 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -87.1 | 103.3 | 162.3 | -170.5 | 0 | 0 | 0 | 0 | 109.5 | S402 H406 | S402-S404 PolarHBondContact O-N 3.1Å; S404-H406 VanDerWaalsContact C-N 3.29Å; S404-H406 PolarHBondContact O-N 2.87Å |
| 405 | T | 47.5 | Very low | 42.8 | Very low | 137 Ų | 137 | 137 Ų | 137 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | -79.2 | 75.3 | -179.2 | 54 | 0 | 0 | 0 | 0 | 111.4 | | |
| 406 | H | 38 | Very low | 43.7 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | | | trans | -127.9 | 123.6 | 157.7 | -148.2 | -84 | 0 | 0 | 0 | 110.7 | S404 | S404-H406 VanDerWaalsContact C-N 3.29Å; S404-H406 PolarHBondContact O-N 2.87Å |
| 407 | Q | 49.7 | Very low | 44.2 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | | | trans | -79.6 | 171.8 | 175.7 | -62.2 | -179.6 | 7 | 0 | 0 | 110.5 | | |
| 408 | R | 46.9 | Very low | 45.3 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | | | trans | 78.4 | 169.8 | -174.9 | -38.4 | -51.3 | 163.5 | -123.3 | -18 | 112.6 | | |
| 409 | D | 39.7 | Very low | 46.4 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | | | trans | 59 | 65 | 179.4 | -47.8 | -33 | 0 | 0 | 0 | 114.9 | K411 | D409-K411 WeakPolarHBondContact O-CD 3.49Å; D409-K411 WeakPolarHBondContact O-CE 3.31Å; D409-K411 PolarHBondContact O-N 3.44Å |
| 410 | G | 50.3 | Low | 46.6 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | | | trans | -60.3 | 118.3 | 161 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 411 | K | 54.5 | Low | 47.8 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | | | trans | -86 | 115.2 | -178.5 | -49.3 | 94.7 | -169.3 | -64.5 | 0 | 108.1 | D409 | D409-K411 WeakPolarHBondContact O-CD 3.49Å; D409-K411 WeakPolarHBondContact O-CE 3.31Å; D409-K411 PolarHBondContact O-N 3.44Å |
| 412 | F | 51.2 | Low | 48.4 | Very low | 194 Ų | 194 | 130 Ų | 130 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | | | trans | -67.8 | 138.8 | 174 | -58.7 | -91.7 | 0 | 0 | 0 | 109.4 | | |
| 413 | C | 58.7 | Low | 49.4 | Very low | 89 Ų | 89 | 131 Ų | 131 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | | | trans | -98.1 | 100.4 | 168.3 | -168.4 | 0 | 0 | 0 | 0 | 107.6 | C415 | C413-C415 HydrophobicContact CB-CB 4.36Å; C413-C415 WeakPolarHBondContact CB-SG 3.42Å; C413-C415 PolarHBondContact O-N 2.73Å; C413-C415 WeakPolarHBondContact SG-CB 3.37Å; C413-C415 CovalentContact SG-SG 2.05Å; C413-C415 PolarHBondContact SG-SG 3.44Å |
| 414 | D | 47.1 | Very low | 50.3 | Low | 166 Ų | 166 | 130.8 Ų | 130.8 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | | | trans | -73.7 | 60.3 | 171.1 | -76 | -13.8 | 0 | 0 | 0 | 109.5 | | |
| 415 | C | 66.6 | Low | 51.1 | Low | 42 Ų | 42 | 129.2 Ų | 129.2 | 28% | 0.284 | 67% | 0.672 | S | S | . | * | | | trans | -128.7 | 105.9 | -172.6 | 60.3 | 0 | 0 | 0 | 0 | 108.8 | C413 Y417 C418 | C413-C415 HydrophobicContact CB-CB 4.36Å; C413-C415 WeakPolarHBondContact CB-SG 3.42Å; C413-C415 PolarHBondContact O-N 2.73Å; C413-C415 WeakPolarHBondContact SG-CB 3.37Å; C413-C415 CovalentContact SG-SG 2.05Å; C413-C415 PolarHBondContact SG-SG 3.44Å; C415-Y417 PolarHBondContact O-N 3.13Å; C415-C418 PolarHBondContact O-N 3.06Å; C415-C418 PolarHBondContact SG-SG 3.21Å |
| 416 | C | 58.6 | Low | 51.2 | Low | 107 Ų | 107 | 130.3 Ų | 130.3 | 72% | 0.723 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -54.5 | -22.5 | -169 | -56 | 0 | 0 | 0 | 0 | 114.7 | C418 E419 | C416-C418 VanDerWaalsContact C-N 3.33Å; C416-C418 PolarHBondContact O-N 2.96Å; C416-E419 PolarHBondContact O-N 3.21Å |
| 417 | Y | 49.2 | Very low | 51.9 | Low | 181 Ų | 181 | 128 Ų | 128 | 71% | 0.71 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66 | -32.3 | 175.2 | -150 | -92.6 | 0 | 0 | 0 | 113.3 | C415 F421 | C415-Y417 PolarHBondContact O-N 3.13Å; Y417-F421 HydrophobicContact CD1-CD2 4.42Å; Y417-F421 HydrophobicContact CE1-CD2 4.03Å; Y417-F421 PolarHBondContact O-N 3.01Å |
| 418 | C | 60.1 | Low | 52 | Low | 61 Ų | 61 | 128 Ų | 128 | 41% | 0.412 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -81.7 | -15.2 | 178.8 | -72 | 0 | 0 | 0 | 0 | 113.8 | C415 C416 G422 | C415-C418 PolarHBondContact O-N 3.06Å; C415-C418 PolarHBondContact SG-SG 3.21Å; C416-C418 VanDerWaalsContact C-N 3.33Å; C416-C418 PolarHBondContact O-N 2.96Å; C418-G422 PolarHBondContact O-N 3.17Å |
| 419 | E | 56.7 | Low | 52.2 | Low | 171 Ų | 171 | 127.2 Ų | 127.2 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75.1 | -37.1 | 173.4 | -169.1 | 166 | -157 | 0 | 0 | 110.9 | C416 | C416-E419 PolarHBondContact O-N 3.21Å |
| 420 | F | 46.4 | Very low | 52.9 | Low | 174 Ų | 174 | 123.7 Ų | 123.7 | 76% | 0.763 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -83.7 | -34 | -178.3 | -148.6 | -94.6 | 0 | 0 | 0 | 114.2 | | |
| 421 | F | 54.5 | Low | 53.3 | Low | 145 Ų | 145 | 127.4 Ų | 127.4 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -109.4 | 13.1 | -178.6 | -69.7 | -77.3 | 0 | 0 | 0 | 115.1 | Y417 | Y417-F421 HydrophobicContact CD1-CD2 4.42Å; Y417-F421 HydrophobicContact CE1-CD2 4.03Å; Y417-F421 PolarHBondContact O-N 3.01Å |
| 422 | G | 45.4 | Very low | 53.6 | Low | 35 Ų | 35 | 124.1 Ų | 124.1 | 36% | 0.361 | 64% | 0.637 | S | S | . | * | | | trans | 50.1 | 74.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | C418 N424 | C418-G422 PolarHBondContact O-N 3.17Å; G422-N424 PolarHBondContact O-N 3.35Å |
| 423 | H | 52.3 | Low | 54 | Low | 139 Ų | 139 | 117.9 Ų | 117.9 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 46.6 | 163.1 | -79.9 | -65.3 | 0 | 0 | 0 | 113.7 | K427 | H423-K427 PolarHBondContact O-NZ 2.94Š|
| 424 | N | 51.8 | Low | 54.2 | Low | 109 Ų | 109 | 115.6 Ų | 115.6 | 58% | 0.583 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -32.1 | -176.3 | -70.9 | -35 | 0 | 0 | 0 | 113.9 | G422 E426 K427 E428 | G422-N424 PolarHBondContact O-N 3.35Å; N424-E426 VanDerWaalsContact C-N 3.31Å; N424-E426 PolarHBondContact O-N 2.87Å; N424-K427 PolarHBondContact O-N 3.01Å; N424-E428 PolarHBondContact O-N 3.26Å; N424-E428 VanDerWaalsContact O-N 3.15Å |
| 425 | A | 48.8 | Very low | 54.8 | Low | 82 Ų | 82 | 112.6 Ų | 112.6 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -54.1 | -40.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 426 | E | 48.4 | Very low | 54.7 | Low | 160 Ų | 160 | 113.3 Ų | 113.3 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.6 | -33.5 | 179.5 | -57.8 | -173.9 | 135.8 | 0 | 0 | 113 | N424 A430 | N424-E426 VanDerWaalsContact C-N 3.31Å; N424-E426 PolarHBondContact O-N 2.87Å; E426-A430 PolarHBondContact O-N 3.33Å |
| 427 | K | 52.3 | Low | 54.9 | Low | 122 Ų | 122 | 114.2 Ų | 114.2 | 53% | 0.53 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.7 | -40.1 | -177.1 | -61.5 | -162.3 | -172.5 | 83.9 | 0 | 111.4 | H423 N424 A430 Q431 | H423-K427 PolarHBondContact O-NZ 2.94Å; N424-K427 PolarHBondContact O-N 3.01Å; K427-A430 PolarHBondContact O-N 3.27Å; K427-Q431 VanDerWaalsContact O-CB 3.26Å; K427-Q431 WeakPolarHBondContact O-CB 3.49Å; K427-Q431 PolarHBondContact O-N 3.48Å |
| 428 | E | 52.9 | Low | 55.6 | Low | 133 Ų | 133 | 112 Ų | 112 | 62% | 0.621 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.6 | -45.3 | -178.9 | -169 | 169.2 | -169.5 | 0 | 0 | 111.6 | N424 A430 Q431 L432 | N424-E428 PolarHBondContact O-N 3.26Å; N424-E428 VanDerWaalsContact O-N 3.15Å; E428-A430 VanDerWaalsContact C-N 3.34Å; E428-A430 PolarHBondContact O-N 3.09Å; E428-Q431 PolarHBondContact O-N 3.41Å; E428-Q431 VanDerWaalsContact O-N 3.12Å; E428-L432 WeakPolarHBondContact O-CB 3.45Å; E428-L432 PolarHBondContact O-N 3Å |
| 429 | K | 49.7 | Very low | 55.5 | Low | 172 Ų | 172 | 114.5 Ų | 114.5 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.5 | -42.1 | 174.6 | -169.3 | 174.6 | -176.6 | 176 | 0 | 112.4 | A433 | K429-A433 WeakPolarHBondContact O-CB 3.39Å; K429-A433 PolarHBondContact O-N 2.98Å |
| 430 | A | 55.2 | Low | 55.3 | Low | 61 Ų | 61 | 109.4 Ų | 109.4 | 50% | 0.504 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.5 | -35.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E426 K427 E428 A434 | E426-A430 PolarHBondContact O-N 3.33Å; K427-A430 PolarHBondContact O-N 3.27Å; E428-A430 VanDerWaalsContact C-N 3.34Å; E428-A430 PolarHBondContact O-N 3.09Å; A430-A434 WeakPolarHBondContact O-CB 3.24Å; A430-A434 PolarHBondContact O-N 3.42Å |
| 431 | Q | 57.8 | Low | 55.5 | Low | 144 Ų | 144 | 107.1 Ų | 107.1 | 67% | 0.673 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.2 | -41.6 | 179.6 | -171 | 161.1 | -35.1 | 0 | 0 | 111.8 | K427 E428 A434 E435 | K427-Q431 VanDerWaalsContact O-CB 3.26Å; K427-Q431 WeakPolarHBondContact O-CB 3.49Å; K427-Q431 PolarHBondContact O-N 3.48Å; E428-Q431 PolarHBondContact O-N 3.41Å; E428-Q431 VanDerWaalsContact O-N 3.12Å; Q431-A434 PolarHBondContact O-N 3.38Å; Q431-E435 WeakPolarHBondContact O-CB 3.43Å; Q431-E435 PolarHBondContact O-N 2.82Å |
| 432 | L | 60.9 | Low | 55.4 | Low | 120 Ų | 120 | 109.4 Ų | 109.4 | 63% | 0.628 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.5 | -44.5 | 172.2 | -111.2 | 162 | 0 | 0 | 0 | 112 | E428 E435 A436 | E428-L432 WeakPolarHBondContact O-CB 3.45Å; E428-L432 PolarHBondContact O-N 3Å; L432-E435 PolarHBondContact O-N 2.76Å; L432-A436 PolarHBondContact O-N 3.42Å |
| 433 | A | 60.8 | Low | 55.5 | Low | 62 Ų | 62 | 114 Ų | 114 | 51% | 0.512 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K429 E435 A436 L437 | K429-A433 WeakPolarHBondContact O-CB 3.39Å; K429-A433 PolarHBondContact O-N 2.98Å; A433-E435 VanDerWaalsContact C-N 3.27Å; A433-E435 PolarHBondContact O-N 3.33Å; A433-A436 PolarHBondContact O-N 3.24Å; A433-L437 PolarHBondContact O-N 3.45Å; A433-L437 VanDerWaalsContact O-N 3.12Å |
| 434 | A | 63.2 | Low | 55.3 | Low | 41 Ų | 41 | 112.9 Ų | 112.9 | 34% | 0.339 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.3 | -22.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A430 Q431 K438 | A430-A434 WeakPolarHBondContact O-CB 3.24Å; A430-A434 PolarHBondContact O-N 3.42Å; Q431-A434 PolarHBondContact O-N 3.38Å; A434-K438 WeakPolarHBondContact O-CD 3.24Å; A434-K438 WeakPolarHBondContact O-CE 3.46Å; A434-K438 WeakPolarHBondContact O-CG 3.44Å; A434-K438 PolarHBondContact O-N 3.29Å |
| 435 | E | 59.7 | Low | 54.6 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -81.7 | -44.7 | 171.5 | -174.2 | 161.8 | 148.5 | 0 | 0 | 112.1 | Q431 L432 A433 L437 K438 Q439 | Q431-E435 WeakPolarHBondContact O-CB 3.43Å; Q431-E435 PolarHBondContact O-N 2.82Å; L432-E435 PolarHBondContact O-N 2.76Å; A433-E435 VanDerWaalsContact C-N 3.27Å; A433-E435 PolarHBondContact O-N 3.33Å; E435-L437 PolarHBondContact O-N 3.38Å; E435-K438 CarbonylContact O-C 3.57Å; E435-K438 WeakPolarHBondContact O-CA 3.33Å; E435-K438 WeakPolarHBondContact O-CB 3.37Å; E435-K438 PolarHBondContact O-N 2.86Å; E435-Q439 HydrophobicContact CG-CG 4.14Å; E435-Q439 WeakPolarHBondContact O-CG 3.13Å; E435-Q439 PolarHBondContact O-N 3.45Å; E435-Q439 PolarHBondContact OE1-NE2 3.12Å |
| 436 | A | 64.2 | Low | 54 | Low | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -53.9 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L432 A433 K438 Q439 A440 | L432-A436 PolarHBondContact O-N 3.42Å; A433-A436 PolarHBondContact O-N 3.24Å; A436-K438 VanDerWaalsContact C-N 3.34Å; A436-K438 PolarHBondContact O-N 3.02Å; A436-Q439 PolarHBondContact O-N 3.48Å; A436-A440 PolarHBondContact O-N 3.06Å |
| 437 | L | 62.5 | Low | 54 | Low | 125 Ų | 125 | 115.5 Ų | 115.5 | 65% | 0.654 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64 | -34.7 | 174.7 | -166.4 | 69.4 | 0 | 0 | 0 | 113 | A433 E435 N441 | A433-L437 PolarHBondContact O-N 3.45Å; A433-L437 VanDerWaalsContact O-N 3.12Å; E435-L437 PolarHBondContact O-N 3.38Å; L437-N441 PolarHBondContact O-N 2.97Å; L437-N441 VanDerWaalsContact O-N 3.16Å |
| 438 | K | 63.3 | Low | 53.2 | Low | 135 Ų | 135 | 117.7 Ų | 117.7 | 59% | 0.587 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.9 | -35 | 175 | -72.7 | 164.9 | -167.1 | 157.2 | 0 | 112.5 | A434 E435 A436 N441 R442 | A434-K438 WeakPolarHBondContact O-CD 3.24Å; A434-K438 WeakPolarHBondContact O-CE 3.46Å; A434-K438 WeakPolarHBondContact O-CG 3.44Å; A434-K438 PolarHBondContact O-N 3.29Å; E435-K438 CarbonylContact O-C 3.57Å; E435-K438 WeakPolarHBondContact O-CA 3.33Å; E435-K438 WeakPolarHBondContact O-CB 3.37Å; E435-K438 PolarHBondContact O-N 2.86Å; A436-K438 VanDerWaalsContact C-N 3.34Å; A436-K438 PolarHBondContact O-N 3.02Å; K438-N441 PolarHBondContact O-N 3.04Å; K438-R442 WeakPolarHBondContact O-CG 3.34Å; K438-R442 PolarHBondContact O-N 3.23Å; K438-R442 VanDerWaalsContact O-N 3.1Å |
| 439 | Q | 57.6 | Low | 52.8 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.1 | -44.6 | 174.4 | -68.3 | -174.2 | 12.1 | 0 | 0 | 110.1 | E435 A436 N441 R442 | E435-Q439 HydrophobicContact CG-CG 4.14Å; E435-Q439 WeakPolarHBondContact O-CG 3.13Å; E435-Q439 PolarHBondContact O-N 3.45Å; E435-Q439 PolarHBondContact OE1-NE2 3.12Å; A436-Q439 PolarHBondContact O-N 3.48Å; Q439-N441 VanDerWaalsContact C-N 3.33Å; Q439-N441 PolarHBondContact O-N 3.36Å; Q439-R442 PolarHBondContact O-N 3.26Å; Q439-R442 VanDerWaalsContact O-N 3.11Å |
| 440 | A | 54.1 | Low | 52 | Low | 65 Ų | 65 | 120.5 Ų | 120.5 | 54% | 0.537 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -56.8 | -43.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A436 R442 V443 | A436-A440 PolarHBondContact O-N 3.06Å; A440-R442 VanDerWaalsContact C-N 3.31Å; A440-R442 PolarHBondContact O-N 2.84Å; A440-V443 PolarHBondContact O-N 3.11Å |
| 441 | N | 50.7 | Low | 51.6 | Low | 126 Ų | 126 | 122.6 Ų | 122.6 | 67% | 0.674 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.1 | -26.8 | 177.5 | -121.1 | -99.4 | 0 | 0 | 0 | 113.7 | L437 K438 Q439 V443 S444 | L437-N441 PolarHBondContact O-N 2.97Å; L437-N441 VanDerWaalsContact O-N 3.16Å; K438-N441 PolarHBondContact O-N 3.04Å; Q439-N441 VanDerWaalsContact C-N 3.33Å; Q439-N441 PolarHBondContact O-N 3.36Å; N441-V443 VanDerWaalsContact C-N 3.29Å; N441-V443 PolarHBondContact O-N 2.78Å; N441-S444 PolarHBondContact O-N 2.88Å |
| 442 | R | 51.3 | Low | 50.7 | Low | 193 Ų | 193 | 120.4 Ų | 120.4 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.5 | -16.1 | 177 | -80.6 | -176 | 177.2 | -178.9 | 4.4 | 114.5 | K438 Q439 A440 S444 | K438-R442 WeakPolarHBondContact O-CG 3.34Å; K438-R442 PolarHBondContact O-N 3.23Å; K438-R442 VanDerWaalsContact O-N 3.1Å; Q439-R442 PolarHBondContact O-N 3.26Å; Q439-R442 VanDerWaalsContact O-N 3.11Å; A440-R442 VanDerWaalsContact C-N 3.31Å; A440-R442 PolarHBondContact O-N 2.84Å; R442-S444 PolarHBondContact O-N 2.85Å |
| 443 | V | 47.9 | Very low | 49.9 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 80% | 0.8 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -18.7 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | A440 N441 | A440-V443 PolarHBondContact O-N 3.11Å; N441-V443 VanDerWaalsContact C-N 3.29Å; N441-V443 PolarHBondContact O-N 2.78Å |
| 444 | S | 47.6 | Very low | 49.1 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 43.7 | -174.5 | -170.4 | 0 | 0 | 0 | 0 | 113.7 | N441 R442 | N441-S444 PolarHBondContact O-N 2.88Å; R442-S444 PolarHBondContact O-N 2.85Å |
| 445 | G | 37.2 | Very low | 48.2 | Very low | 59 Ų | 59 | 133.7 Ų | 133.7 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -167.8 | 115.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 446 | S | 37.6 | Very low | 47.4 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | | | trans | -4.4 | 129.5 | 173.9 | -163.1 | 0 | 0 | 0 | 0 | 120.2 | E448 | S446-E448 PolarHBondContact O-N 2.95Š|
| 447 | R | 47.1 | Very low | 46.7 | Very low | 232 Ų | 232 | 139.6 Ų | 139.6 | 88% | 0.875 | 71% | 0.71 | S | S | * | * | | | trans | -47 | 116.6 | 160.4 | 175.4 | -170.5 | -173.9 | -175.9 | 3.6 | 112 | | |
| 448 | E | 36.3 | Very low | 45.8 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | | | trans | -143.7 | 141.5 | 168.8 | -176 | 66.6 | 173 | 0 | 0 | 109.6 | S446 | S446-E448 PolarHBondContact O-N 2.95Š|
| 449 | Q | 44.8 | Very low | 44.9 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | | | trans | -85.5 | 137.8 | -168.2 | -59.2 | -175.7 | 41.1 | 0 | 0 | 113.4 | | |
| 450 | R | 31.7 | Very low | 45.6 | Very low | 206 Ų | 206 | 137 Ų | 137 | 78% | 0.777 | 70% | 0.697 | S | S | * | * | | | trans | -142.8 | 75.2 | 173 | -74.3 | -64.6 | -179 | 98.9 | 0 | 113.2 | | |
| 451 | P | 46.5 | Very low | 46.3 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | | | trans | -71.1 | 179.4 | 170.5 | 32.6 | -36.2 | 0 | 0 | 0 | 112.5 | | |
| 452 | A | 39.7 | Very low | 47.5 | Very low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 73.7 | 26.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 453 | R | 44.9 | Very low | 49.2 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 60% | 0.596 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -124.2 | -13.7 | 161.7 | 77.9 | -176 | 176.9 | -64.6 | -18.7 | 116.5 | R455 | R453-R455 VanDerWaalsContact C-N 3.33Š|
| 454 | E | 44 | Very low | 51.2 | Low | 159 Ų | 159 | 131 Ų | 131 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -70.3 | -29.6 | 172.7 | -106.8 | 126.7 | -147.8 | 0 | 0 | 112.6 | L456 L457 | E454-L456 PolarHBondContact O-N 3.03Å; E454-L457 PolarHBondContact O-N 2.83Å |
| 455 | R | 43 | Very low | 53.3 | Low | 185 Ų | 185 | 130.7 Ų | 130.7 | 70% | 0.698 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -72.6 | 1.6 | -167.9 | -116.3 | 178.9 | 179.8 | -167.3 | -0.1 | 116.6 | R453 E458 | R453-R455 VanDerWaalsContact C-N 3.33Å; R455-E458 WeakPolarHBondContact CG-OE2 3.49Å; R455-E458 IonicContact NE-OE2 2.79Å |
| 456 | L | 43.7 | Very low | 56 | Low | 155 Ų | 155 | 134.3 Ų | 134.3 | 81% | 0.812 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -97.3 | -17.9 | -178.6 | -136.1 | 73.9 | 0 | 0 | 0 | 113.4 | E454 | E454-L456 PolarHBondContact O-N 3.03Š|
| 457 | L | 48.3 | Very low | 58.7 | Low | 130 Ų | 130 | 132.3 Ų | 132.3 | 68% | 0.681 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -8.5 | 174.8 | -61.9 | 174.1 | 0 | 0 | 0 | 112.7 | E454 W459 P460 | E454-L457 PolarHBondContact O-N 2.83Å; L457-W459 PolarHBondContact O-N 2.99Å; L457-P460 WeakPolarHBondContact O-CD 3.4Å |
| 458 | E | 44.6 | Very low | 60.9 | Low | 73 Ų | 73 | 125.5 Ų | 125.5 | 34% | 0.341 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.2 | -13.6 | 177.4 | -159.6 | -163.3 | 116.3 | 0 | 0 | 114.3 | R455 R462 | R455-E458 WeakPolarHBondContact CG-OE2 3.49Å; R455-E458 IonicContact NE-OE2 2.79Å; E458-R462 WeakPolarHBondContact O-CB 3.4Å; E458-R462 IonicContact OE1-CZ 3.79Å; E458-R462 IonicContact OE1-NH1 2.77Å; E458-R462 PolarHBondContact OE1-NH1 2.69Å; E458-R462 IonicContact OE1-NH2 2.76Å |
| 459 | W | 44.3 | Very low | 63.7 | Low | 165 Ų | 165 | 121.4 Ų | 121.4 | 63% | 0.625 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -90.7 | -50.7 | -176.5 | -78.3 | 84.9 | 0 | 0 | 0 | 113.8 | L457 E463 | L457-W459 PolarHBondContact O-N 2.99Å; W459-E463 WeakPolarHBondContact O-CB 3.43Å; W459-E463 PolarHBondContact O-N 3.16Å; W459-E463 VanDerWaalsContact O-N 3.13Å |
| 460 | P | 71.5 | Confident | 66.2 | Low | 80 Ų | 80 | 119.6 Ų | 119.6 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -51.5 | -55.6 | 171.6 | -31 | 35.5 | 0 | 0 | 0 | 113.8 | L457 R462 E463 L464 | L457-P460 WeakPolarHBondContact O-CD 3.4Å; P460-R462 PolarHBondContact O-N 3.07Å; P460-E463 PolarHBondContact O-N 3.28Å; P460-L464 WeakPolarHBondContact O-CB 2.98Å; P460-L464 PolarHBondContact O-N 3.04Å |
| 461 | D | 68.8 | Low | 69.3 | Low | 103 Ų | 103 | 114.8 Ų | 114.8 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -44.8 | -173.2 | -61.7 | -23.7 | 0 | 0 | 0 | 111.9 | E463 L464 D465 | D461-E463 VanDerWaalsContact C-N 3.3Å; D461-E463 PolarHBondContact O-N 3.11Å; D461-L464 WeakPolarHBondContact O-CB 3.15Å; D461-L464 PolarHBondContact O-N 3.05Å; D461-D465 PolarHBondContact O-N 2.98Å |
| 462 | R | 77.4 | Confident | 71.6 | Confident | 88 Ų | 88 | 112.9 Ų | 112.9 | 33% | 0.332 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.6 | -24.9 | -179.3 | -167.7 | 179.2 | 62.6 | -141.4 | -12.8 | 113 | E458 P460 R466 | E458-R462 WeakPolarHBondContact O-CB 3.4Å; E458-R462 IonicContact OE1-CZ 3.79Å; E458-R462 IonicContact OE1-NH1 2.77Å; E458-R462 PolarHBondContact OE1-NH1 2.69Å; E458-R462 IonicContact OE1-NH2 2.76Å; P460-R462 PolarHBondContact O-N 3.07Å; R462-R466 VanDerWaalsContact O-CD 3.31Å; R462-R466 WeakPolarHBondContact O-CD 3.48Å; R462-R466 VanDerWaalsContact O-CG 3.24Å; R462-R466 WeakPolarHBondContact O-CG 3.46Å; R462-R466 PolarHBondContact O-N 3.29Å |
| 463 | E | 85.9 | Confident | 74.4 | Confident | 84 Ų | 84 | 111.7 Ų | 111.7 | 39% | 0.393 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -82.2 | -32.4 | 172 | -154.4 | 60.3 | -136.5 | 0 | 0 | 111.6 | W459 P460 D461 R466 V467 | W459-E463 WeakPolarHBondContact O-CB 3.43Å; W459-E463 PolarHBondContact O-N 3.16Å; W459-E463 VanDerWaalsContact O-N 3.13Å; P460-E463 PolarHBondContact O-N 3.28Å; D461-E463 VanDerWaalsContact C-N 3.3Å; D461-E463 PolarHBondContact O-N 3.11Å; E463-R466 VanDerWaalsContact CD-CD 3.49Å; E463-R466 WeakPolarHBondContact O-CB 3.21Å; E463-R466 PolarHBondContact O-N 3.07Å; E463-R466 WeakPolarHBondContact OE1-CD 3.25Å; E463-R466 IonicContact OE1-NH1 2.68Å; E463-R466 WeakPolarHBondContact OE2-CD 3.34Å; E463-R466 IonicContact OE2-CZ 3.57Å; E463-R466 IonicContact OE2-NE 3.55Å; E463-R466 IonicContact OE2-NH1 3.25Å; E463-R466 PolarHBondContact OE2-NH1 3.12Å; E463-V467 WeakPolarHBondContact O-CG2 3.45Å; E463-V467 PolarHBondContact O-N 3.13Å |
| 464 | L | 90.2 | Very high | 76.9 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 169 | -177.4 | 61.1 | 0 | 0 | 0 | 111.4 | P460 D461 R466 V467 N468 | P460-L464 WeakPolarHBondContact O-CB 2.98Å; P460-L464 PolarHBondContact O-N 3.04Å; D461-L464 WeakPolarHBondContact O-CB 3.15Å; D461-L464 PolarHBondContact O-N 3.05Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 3.4Å; L464-V467 PolarHBondContact O-N 2.91Å; L464-N468 WeakPolarHBondContact O-CB 3.48Å; L464-N468 PolarHBondContact O-N 3.16Å |
| 465 | D | 92.1 | Very high | 79.4 | Confident | 108 Ų | 108 | 107.7 Ų | 107.7 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.9 | -39.5 | 172.6 | -82.3 | -27.3 | 0 | 0 | 0 | 112.4 | D461 S469 | D461-D465 PolarHBondContact O-N 2.98Å; D465-S469 WeakPolarHBondContact O-CB 3.34Å; D465-S469 PolarHBondContact O-N 3.34Å |
| 466 | R | 93.7 | Very high | 82 | Confident | 134 Ų | 134 | 102.7 Ų | 102.7 | 51% | 0.506 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 176.8 | -74.9 | 162.9 | 167.6 | -162.3 | -9.8 | 111.9 | R462 E463 L464 S469 F470 | R462-R466 VanDerWaalsContact O-CD 3.31Å; R462-R466 WeakPolarHBondContact O-CD 3.48Å; R462-R466 VanDerWaalsContact O-CG 3.24Å; R462-R466 WeakPolarHBondContact O-CG 3.46Å; R462-R466 PolarHBondContact O-N 3.29Å; E463-R466 VanDerWaalsContact CD-CD 3.49Å; E463-R466 WeakPolarHBondContact O-CB 3.21Å; E463-R466 PolarHBondContact O-N 3.07Å; E463-R466 WeakPolarHBondContact OE1-CD 3.25Å; E463-R466 IonicContact OE1-NH1 2.68Å; E463-R466 WeakPolarHBondContact OE2-CD 3.34Å; E463-R466 IonicContact OE2-CZ 3.57Å; E463-R466 IonicContact OE2-NE 3.55Å; E463-R466 IonicContact OE2-NH1 3.25Å; E463-R466 PolarHBondContact OE2-NH1 3.12Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 3.4Å; R466-S469 PolarHBondContact O-N 2.91Å; R466-F470 VanDerWaalsContact O-CB 3.3Å; R466-F470 WeakPolarHBondContact O-CB 3.22Å; R466-F470 PolarHBondContact O-N 2.81Å |
| 467 | V | 94.8 | Very high | 84.6 | Confident | 72 Ų | 72 | 99.4 Ų | 99.4 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 177 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | E463 L464 F470 L471 | E463-V467 WeakPolarHBondContact O-CG2 3.45Å; E463-V467 PolarHBondContact O-N 3.13Å; L464-V467 PolarHBondContact O-N 2.91Å; V467-F470 PolarHBondContact O-N 3.28Å; V467-L471 HydrophobicContact CG1-CD1 3.81Å; V467-L471 HydrophobicContact CG1-CG 4.28Å; V467-L471 WeakPolarHBondContact O-CB 3.24Å; V467-L471 VanDerWaalsContact O-CG 3.25Å; V467-L471 WeakPolarHBondContact O-CG 3.27Å; V467-L471 PolarHBondContact O-N 2.87Å |
| 468 | N | 92.1 | Very high | 86.8 | Confident | 90 Ų | 90 | 98 Ų | 98 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.8 | -172.6 | 12.5 | 0 | 0 | 0 | 111.9 | L464 L471 S472 | L464-N468 WeakPolarHBondContact O-CB 3.48Å; L464-N468 PolarHBondContact O-N 3.16Å; N468-L471 PolarHBondContact O-N 3.18Å; N468-S472 WeakPolarHBondContact O-CB 3.5Å; N468-S472 PolarHBondContact O-N 2.78Å; N468-S472 PolarHBondContact O-OG 3.24Å |
| 469 | S | 96.1 | Very high | 89.3 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | D465 R466 S472 S473 | D465-S469 WeakPolarHBondContact O-CB 3.34Å; D465-S469 PolarHBondContact O-N 3.34Å; R466-S469 PolarHBondContact O-N 2.91Å; S469-S472 PolarHBondContact O-N 3.21Å; S469-S473 WeakPolarHBondContact O-CB 3.17Å; S469-S473 PolarHBondContact O-N 2.9Å |
| 470 | F | 96.8 | Very high | 91.8 | Very high | 121 Ų | 121 | 95.2 Ų | 95.2 | 53% | 0.531 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 175.9 | 179.4 | -97.1 | 0 | 0 | 0 | 112.3 | R466 V467 S473 R474 | R466-F470 VanDerWaalsContact O-CB 3.3Å; R466-F470 WeakPolarHBondContact O-CB 3.22Å; R466-F470 PolarHBondContact O-N 2.81Å; V467-F470 PolarHBondContact O-N 3.28Å; F470-S473 PolarHBondContact O-N 3.44Å; F470-R474 HydrophobicContact CD1-CG 4.3Å; F470-R474 HydrophobicContact CE1-CG 3.93Å; F470-R474 HydrophobicContact CE2-CG 4.26Å; F470-R474 HydrophobicContact CZ-CG 3.91Å; F470-R474 WeakPolarHBondContact O-CB 3.25Å; F470-R474 WeakPolarHBondContact O-CG 3.47Å; F470-R474 PolarHBondContact O-N 3.2Å |
| 471 | L | 96.6 | Very high | 93 | Very high | 105 Ų | 105 | 95.8 Ų | 95.8 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.6 | -71.3 | 171.9 | 0 | 0 | 0 | 111.5 | V467 N468 S473 R474 L475 | V467-L471 HydrophobicContact CG1-CD1 3.81Å; V467-L471 HydrophobicContact CG1-CG 4.28Å; V467-L471 WeakPolarHBondContact O-CB 3.24Å; V467-L471 VanDerWaalsContact O-CG 3.25Å; V467-L471 WeakPolarHBondContact O-CG 3.27Å; V467-L471 PolarHBondContact O-N 2.87Å; N468-L471 PolarHBondContact O-N 3.18Å; L471-S473 VanDerWaalsContact C-N 3.35Å; L471-S473 PolarHBondContact O-N 2.65Å; L471-R474 PolarHBondContact O-N 2.83Å; L471-L475 VanDerWaalsContact O-CB 3.27Å; L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 PolarHBondContact O-N 3.37Å |
| 472 | S | 96.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 94.7 Ų | 94.7 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.7 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | N468 S469 Q476 | N468-S472 WeakPolarHBondContact O-CB 3.5Å; N468-S472 PolarHBondContact O-N 2.78Å; N468-S472 PolarHBondContact O-OG 3.24Å; S469-S472 PolarHBondContact O-N 3.21Å; S472-Q476 VanDerWaalsContact O-CB 3.26Å; S472-Q476 WeakPolarHBondContact O-CB 3.2Å; S472-Q476 PolarHBondContact O-N 2.93Å |
| 473 | S | 97.3 | Very high | 95.2 | Very high | 73 Ų | 73 | 94.6 Ų | 94.6 | 51% | 0.51 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | S469 F470 L471 L475 Q476 E477 | S469-S473 WeakPolarHBondContact O-CB 3.17Å; S469-S473 PolarHBondContact O-N 2.9Å; F470-S473 PolarHBondContact O-N 3.44Å; L471-S473 VanDerWaalsContact C-N 3.35Å; L471-S473 PolarHBondContact O-N 2.65Å; S473-L475 PolarHBondContact O-N 3.43Å; S473-Q476 PolarHBondContact O-N 3.38Å; S473-E477 WeakPolarHBondContact O-CB 3.38Å; S473-E477 PolarHBondContact O-N 3.4Å |
| 474 | R | 97.3 | Very high | 95.6 | Very high | 113 Ų | 113 | 93.9 Ų | 93.9 | 43% | 0.426 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 176.3 | -72.2 | -53.1 | -158.9 | 168.5 | 5.5 | 112.8 | F470 L471 E477 I478 | F470-R474 HydrophobicContact CD1-CG 4.3Å; F470-R474 HydrophobicContact CE1-CG 3.93Å; F470-R474 HydrophobicContact CE2-CG 4.26Å; F470-R474 HydrophobicContact CZ-CG 3.91Å; F470-R474 WeakPolarHBondContact O-CB 3.25Å; F470-R474 WeakPolarHBondContact O-CG 3.47Å; F470-R474 PolarHBondContact O-N 3.2Å; L471-R474 PolarHBondContact O-N 2.83Å; R474-E477 WeakPolarHBondContact CD-OE2 3.48Å; R474-E477 IonicContact CZ-OE2 3.8Å; R474-E477 IonicContact NE-OE2 2.72Å; R474-E477 IonicContact NH1-OE1 3.93Å; R474-E477 PolarHBondContact NH1-OE1 3.41Å; R474-E477 IonicContact NH1-OE2 3.63Å; R474-E477 PolarHBondContact NH1-OE2 2.92Å; R474-E477 WeakPolarHBondContact O-CB 3.3Å; R474-E477 PolarHBondContact O-N 3.47Å; R474-I478 WeakPolarHBondContact O-CB 3.11Å; R474-I478 WeakPolarHBondContact O-CD1 3.31Å; R474-I478 VanDerWaalsContact O-CG1 3.24Å; R474-I478 WeakPolarHBondContact O-CG1 3.04Å; R474-I478 PolarHBondContact O-N 3.44Å |
| 475 | L | 97.5 | Very high | 95.8 | Very high | 120 Ų | 120 | 91.6 Ų | 91.6 | 63% | 0.628 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67 | -37.6 | 175.8 | -175.3 | 61.6 | 0 | 0 | 0 | 111.6 | L471 S473 K479 | L471-L475 VanDerWaalsContact O-CB 3.27Å; L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 PolarHBondContact O-N 3.37Å; S473-L475 PolarHBondContact O-N 3.43Å; L475-K479 WeakPolarHBondContact O-CB 3.22Å; L475-K479 PolarHBondContact O-N 3.02Å |
| 476 | Q | 97 | Very high | 95.8 | Very high | 80 Ų | 80 | 90.6 Ų | 90.6 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.5 | -32.8 | 175.3 | -179.2 | 54.2 | 76.6 | 0 | 0 | 112.7 | S472 S473 K479 N480 | S472-Q476 VanDerWaalsContact O-CB 3.26Å; S472-Q476 WeakPolarHBondContact O-CB 3.2Å; S472-Q476 PolarHBondContact O-N 2.93Å; S473-Q476 PolarHBondContact O-N 3.38Å; Q476-K479 VanDerWaalsContact CD-CE 3.49Å; Q476-K479 VanDerWaalsContact NE2-CE 3.26Å; Q476-N480 PolarHBondContact NE2-ND2 3.31Å; Q476-N480 VanDerWaalsContact NE2-ND2 3.11Å; Q476-N480 PolarHBondContact NE2-OD1 3.1Å; Q476-N480 WeakPolarHBondContact O-CB 3.47Å; Q476-N480 PolarHBondContact O-N 2.76Å; Q476-N480 VanDerWaalsContact O-N 3.07Å; Q476-N480 PolarHBondContact O-ND2 2.84Å; Q476-N480 VanDerWaalsContact O-ND2 3.17Å |
| 477 | E | 97.3 | Very high | 95.6 | Very high | 87 Ų | 87 | 92.1 Ų | 92.1 | 41% | 0.407 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -57.5 | 169.1 | -178.7 | -174.8 | -177.8 | 0 | 0 | 110.4 | S473 R474 K479 N480 T481 | S473-E477 WeakPolarHBondContact O-CB 3.38Å; S473-E477 PolarHBondContact O-N 3.4Å; R474-E477 WeakPolarHBondContact CD-OE2 3.48Å; R474-E477 IonicContact CZ-OE2 3.8Å; R474-E477 IonicContact NE-OE2 2.72Å; R474-E477 IonicContact NH1-OE1 3.93Å; R474-E477 PolarHBondContact NH1-OE1 3.41Å; R474-E477 IonicContact NH1-OE2 3.63Å; R474-E477 PolarHBondContact NH1-OE2 2.92Å; R474-E477 WeakPolarHBondContact O-CB 3.3Å; R474-E477 PolarHBondContact O-N 3.47Å; E477-K479 VanDerWaalsContact C-N 3.32Å; E477-K479 PolarHBondContact O-N 3.07Å; E477-N480 CarbonylContact O-C 3.51Å; E477-N480 WeakPolarHBondContact O-CA 3.21Å; E477-N480 WeakPolarHBondContact O-CB 3.36Å; E477-N480 PolarHBondContact O-N 3.33Å; E477-T481 PolarHBondContact O-N 2.97Å; E477-T481 PolarHBondContact O-OG1 2.74Å |
| 478 | I | 96.4 | Very high | 95.3 | Very high | 99 Ų | 99 | 91.3 Ų | 91.3 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.7 | -45.3 | 178.4 | -67.9 | 163 | 0 | 0 | 0 | 111.2 | R474 N480 T481 V482 | R474-I478 WeakPolarHBondContact O-CB 3.11Å; R474-I478 WeakPolarHBondContact O-CD1 3.31Å; R474-I478 VanDerWaalsContact O-CG1 3.24Å; R474-I478 WeakPolarHBondContact O-CG1 3.04Å; R474-I478 PolarHBondContact O-N 3.44Å; I478-N480 VanDerWaalsContact C-N 3.29Å; I478-N480 PolarHBondContact O-N 3.36Å; I478-T481 PolarHBondContact O-N 3.12Å; I478-V482 HydrophobicContact CG2-CG2 4.42Å; I478-V482 WeakPolarHBondContact O-CG2 3.42Å; I478-V482 PolarHBondContact O-N 3.48Å |
| 479 | K | 96.8 | Very high | 94.9 | Very high | 122 Ų | 122 | 90.2 Ų | 90.2 | 53% | 0.53 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 176.5 | -175.3 | 179 | 67.1 | -174.1 | 0 | 112.3 | L475 Q476 E477 K483 | L475-K479 WeakPolarHBondContact O-CB 3.22Å; L475-K479 PolarHBondContact O-N 3.02Å; Q476-K479 VanDerWaalsContact CD-CE 3.49Å; Q476-K479 VanDerWaalsContact NE2-CE 3.26Å; E477-K479 VanDerWaalsContact C-N 3.32Å; E477-K479 PolarHBondContact O-N 3.07Å; K479-K483 WeakPolarHBondContact O-CB 3.27Å; K479-K483 PolarHBondContact O-N 2.87Å; K479-K483 VanDerWaalsContact O-N 3.1Å |
| 480 | N | 96 | Very high | 93.8 | Very high | 59 Ų | 59 | 93.2 Ų | 93.2 | 32% | 0.316 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.3 | -50 | 173.1 | -78.4 | -33.6 | 0 | 0 | 0 | 111.1 | Q476 E477 I478 V482 K483 D484 | Q476-N480 PolarHBondContact NE2-ND2 3.31Å; Q476-N480 VanDerWaalsContact NE2-ND2 3.11Å; Q476-N480 PolarHBondContact NE2-OD1 3.1Å; Q476-N480 WeakPolarHBondContact O-CB 3.47Å; Q476-N480 PolarHBondContact O-N 2.76Å; Q476-N480 VanDerWaalsContact O-N 3.07Å; Q476-N480 PolarHBondContact O-ND2 2.84Å; Q476-N480 VanDerWaalsContact O-ND2 3.17Å; E477-N480 CarbonylContact O-C 3.51Å; E477-N480 WeakPolarHBondContact O-CA 3.21Å; E477-N480 WeakPolarHBondContact O-CB 3.36Å; E477-N480 PolarHBondContact O-N 3.33Å; I478-N480 VanDerWaalsContact C-N 3.29Å; I478-N480 PolarHBondContact O-N 3.36Å; N480-V482 VanDerWaalsContact C-N 3.28Å; N480-V482 PolarHBondContact O-N 2.83Å; N480-K483 PolarHBondContact O-N 3.37Å; N480-K483 VanDerWaalsContact O-N 3.11Å; N480-K483 PolarHBondContact OD1-NZ 3.07Å; N480-D484 WeakPolarHBondContact O-CB 3.44Å; N480-D484 VanDerWaalsContact O-CG 3.29Å; N480-D484 PolarHBondContact O-N 2.93Å |
| 481 | T | 96.9 | Very high | 92.9 | Very high | 91 Ų | 91 | 90.3 Ų | 90.3 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.3 | -42.8 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | E477 I478 S485 | E477-T481 PolarHBondContact O-N 2.97Å; E477-T481 PolarHBondContact O-OG1 2.74Å; I478-T481 PolarHBondContact O-N 3.12Å; T481-S485 WeakPolarHBondContact O-CB 3.2Å; T481-S485 PolarHBondContact O-N 3.48Å |
| 482 | V | 96.4 | Very high | 91.3 | Very high | 80 Ų | 80 | 90.3 Ų | 90.3 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -49 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | I478 N480 D484 S485 I486 | I478-V482 HydrophobicContact CG2-CG2 4.42Å; I478-V482 WeakPolarHBondContact O-CG2 3.42Å; I478-V482 PolarHBondContact O-N 3.48Å; N480-V482 VanDerWaalsContact C-N 3.28Å; N480-V482 PolarHBondContact O-N 2.83Å; V482-D484 VanDerWaalsContact C-N 3.31Å; V482-D484 PolarHBondContact O-N 2.84Å; V482-S485 PolarHBondContact O-N 3.45Å; V482-I486 HydrophobicContact CG1-CD1 3.73Å; V482-I486 HydrophobicContact CG1-CG1 4.46Å; V482-I486 WeakPolarHBondContact O-CB 3.26Å; V482-I486 VanDerWaalsContact O-CG1 3.24Å; V482-I486 WeakPolarHBondContact O-CG1 3.45Å; V482-I486 PolarHBondContact O-N 3.41Å |
| 483 | K | 95.8 | Very high | 89.5 | Confident | 86 Ų | 86 | 91.1 Ų | 91.1 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 178 | 175.2 | -142.7 | 72.9 | -157.8 | 0 | 112.5 | K479 N480 R487 | K479-K483 WeakPolarHBondContact O-CB 3.27Å; K479-K483 PolarHBondContact O-N 2.87Å; K479-K483 VanDerWaalsContact O-N 3.1Å; N480-K483 PolarHBondContact O-N 3.37Å; N480-K483 VanDerWaalsContact O-N 3.11Å; N480-K483 PolarHBondContact OD1-NZ 3.07Å; K483-R487 WeakPolarHBondContact O-CB 3.38Å; K483-R487 PolarHBondContact O-N 2.82Å; K483-R487 VanDerWaalsContact O-N 3.12Å |
| 484 | D | 94.6 | Very high | 87.6 | Confident | 69 Ų | 69 | 94.9 Ų | 94.9 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -80.6 | -33.4 | -179.7 | -64.5 | -41.9 | 0 | 0 | 0 | 111.4 | N480 V482 R487 A488 | N480-D484 WeakPolarHBondContact O-CB 3.44Å; N480-D484 VanDerWaalsContact O-CG 3.29Å; N480-D484 PolarHBondContact O-N 2.93Å; V482-D484 VanDerWaalsContact C-N 3.31Å; V482-D484 PolarHBondContact O-N 2.84Å; D484-R487 PolarHBondContact O-N 3.17Å; D484-A488 WeakPolarHBondContact O-CB 3.26Å; D484-A488 PolarHBondContact O-N 3.49Å |
| 485 | S | 93.9 | Very high | 85.6 | Confident | 69 Ų | 69 | 95.8 Ų | 95.8 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 167.8 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | T481 V482 R487 A488 S489 | T481-S485 WeakPolarHBondContact O-CB 3.2Å; T481-S485 PolarHBondContact O-N 3.48Å; V482-S485 PolarHBondContact O-N 3.45Å; S485-R487 VanDerWaalsContact C-N 3.32Å; S485-R487 PolarHBondContact O-N 3.21Å; S485-A488 PolarHBondContact O-N 2.91Å; S485-S489 PolarHBondContact O-N 3.11Å; S485-S489 PolarHBondContact O-OG 3Å |
| 486 | I | 92.4 | Very high | 83.5 | Confident | 86 Ų | 86 | 94.1 Ų | 94.1 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 176.6 | -72.2 | 166.5 | 0 | 0 | 0 | 110.3 | V482 A488 S489 F490 | V482-I486 HydrophobicContact CG1-CD1 3.73Å; V482-I486 HydrophobicContact CG1-CG1 4.46Å; V482-I486 WeakPolarHBondContact O-CB 3.26Å; V482-I486 VanDerWaalsContact O-CG1 3.24Å; V482-I486 WeakPolarHBondContact O-CG1 3.45Å; V482-I486 PolarHBondContact O-N 3.41Å; I486-A488 PolarHBondContact O-N 3.4Å; I486-S489 PolarHBondContact O-N 2.99Å; I486-F490 HydrophobicContact CG2-CD2 3.7Å; I486-F490 HydrophobicContact CG2-CE2 3.68Å; I486-F490 WeakPolarHBondContact O-CD2 3.17Å; I486-F490 PolarHBondContact O-N 3Å |
| 487 | R | 89.9 | Confident | 81.7 | Confident | 167 Ų | 167 | 98.6 Ų | 98.6 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.6 | -44.4 | 175.7 | -174.6 | -176.9 | -60.5 | -153.7 | -4.8 | 112.3 | K483 D484 S485 S491 | K483-R487 WeakPolarHBondContact O-CB 3.38Å; K483-R487 PolarHBondContact O-N 2.82Å; K483-R487 VanDerWaalsContact O-N 3.12Å; D484-R487 PolarHBondContact O-N 3.17Å; S485-R487 VanDerWaalsContact C-N 3.32Å; S485-R487 PolarHBondContact O-N 3.21Å; R487-S491 WeakPolarHBondContact O-CB 3.21Å; R487-S491 PolarHBondContact O-N 2.95Å |
| 488 | A | 88 | Confident | 79.7 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D484 S485 I486 S491 V492 | D484-A488 WeakPolarHBondContact O-CB 3.26Å; D484-A488 PolarHBondContact O-N 3.49Å; S485-A488 PolarHBondContact O-N 2.91Å; I486-A488 PolarHBondContact O-N 3.4Å; A488-S491 PolarHBondContact O-N 3.37Å; A488-V492 WeakPolarHBondContact O-CG2 3.12Å; A488-V492 PolarHBondContact O-N 2.88Å |
| 489 | S | 83.7 | Confident | 77.8 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 177.1 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | S485 I486 V492 C493 | S485-S489 PolarHBondContact O-N 3.11Å; S485-S489 PolarHBondContact O-OG 3Å; I486-S489 PolarHBondContact O-N 2.99Å; S489-V492 PolarHBondContact O-N 3.12Å; S489-C493 PolarHBondContact O-N 2.61Å; S489-C493 PolarHBondContact O-SG 2.87Å |
| 490 | F | 73.9 | Confident | 75.9 | Confident | 144 Ų | 144 | 101.6 Ų | 101.6 | 63% | 0.632 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.9 | -44.1 | 175.7 | -82.3 | -68.8 | 0 | 0 | 0 | 112 | I486 V492 C493 E494 | I486-F490 HydrophobicContact CG2-CD2 3.7Å; I486-F490 HydrophobicContact CG2-CE2 3.68Å; I486-F490 WeakPolarHBondContact O-CD2 3.17Å; I486-F490 PolarHBondContact O-N 3Å; F490-V492 VanDerWaalsContact C-N 3.26Å; F490-V492 PolarHBondContact O-N 2.91Å; F490-C493 PolarHBondContact O-N 3.08Å; F490-C493 VanDerWaalsContact O-N 3.13Å; F490-E494 PolarHBondContact O-N 2.61Å |
| 491 | S | 76.8 | Confident | 73.4 | Confident | 60 Ų | 60 | 101.9 Ų | 101.9 | 42% | 0.42 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.6 | -30.2 | 178.2 | -178 | 0 | 0 | 0 | 0 | 113.8 | R487 A488 L495 | R487-S491 WeakPolarHBondContact O-CB 3.21Å; R487-S491 PolarHBondContact O-N 2.95Å; A488-S491 PolarHBondContact O-N 3.37Å; S491-L495 WeakPolarHBondContact O-CG 3.45Å; S491-L495 PolarHBondContact O-N 3.11Å |
| 492 | V | 63.4 | Low | 70.5 | Confident | 104 Ų | 104 | 106.8 Ų | 106.8 | 63% | 0.63 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78.6 | -32.3 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | A488 S489 F490 | A488-V492 WeakPolarHBondContact O-CG2 3.12Å; A488-V492 PolarHBondContact O-N 2.88Å; S489-V492 PolarHBondContact O-N 3.12Å; F490-V492 VanDerWaalsContact C-N 3.26Å; F490-V492 PolarHBondContact O-N 2.91Å |
| 493 | C | 59.1 | Low | 68.1 | Low | 83 Ų | 83 | 109 Ų | 109 | 56% | 0.561 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.5 | -34.3 | 172.9 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | S489 F490 S496 | S489-C493 PolarHBondContact O-N 2.61Å; S489-C493 PolarHBondContact O-SG 2.87Å; F490-C493 PolarHBondContact O-N 3.08Å; F490-C493 VanDerWaalsContact O-N 3.13Å; C493-S496 WeakPolarHBondContact O-CB 3.44Å; C493-S496 PolarHBondContact O-N 3.12Å |
| 494 | E | 56 | Low | 65.7 | Low | 151 Ų | 151 | 112.5 Ų | 112.5 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.3 | -35.9 | 179.8 | -154.4 | 167.4 | -166.1 | 0 | 0 | 111.8 | F490 S496 | F490-E494 PolarHBondContact O-N 2.61Å; E494-S496 PolarHBondContact O-N 2.88Å |
| 495 | L | 56 | Low | 63.3 | Low | 133 Ų | 133 | 118.1 Ų | 118.1 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 19 | 172.6 | -65.1 | 170.2 | 0 | 0 | 0 | 114.2 | S491 | S491-L495 WeakPolarHBondContact O-CG 3.45Å; S491-L495 PolarHBondContact O-N 3.11Å |
| 496 | S | 53.7 | Low | 60.5 | Low | 85 Ų | 85 | 118.4 Ų | 118.4 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | 8.8 | -179.8 | -173.5 | 0 | 0 | 0 | 0 | 113 | C493 E494 | C493-S496 WeakPolarHBondContact O-CB 3.44Å; C493-S496 PolarHBondContact O-N 3.12Å; E494-S496 PolarHBondContact O-N 2.88Å |
| 497 | M | 59.2 | Low | 57.9 | Low | 173 Ų | 173 | 119.3 Ų | 119.3 | 85% | 0.852 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -114 | -5.3 | -178.9 | -67.8 | -167.9 | 65.6 | 0 | 0 | 113.8 | | |
| 498 | D | 55.6 | Low | 55.3 | Low | 115 Ų | 115 | 116.4 Ų | 116.4 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -97.6 | -20.6 | -175.2 | 58.1 | -57.5 | 0 | 0 | 0 | 114.2 | N500 | D498-N500 PolarHBondContact O-N 3.39Å; D498-N500 VanDerWaalsContact O-N 3.11Å |
| 499 | S | 56.5 | Low | 52.6 | Low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -75.6 | 2 | -170.8 | 71.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 500 | N | 55.5 | Low | 50.7 | Low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -131 | 47.5 | -165.8 | -123 | 88.2 | 0 | 0 | 0 | 114.2 | D498 | D498-N500 PolarHBondContact O-N 3.39Å; D498-N500 VanDerWaalsContact O-N 3.11Å |
| 501 | G | 45.1 | Very low | 48.7 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -141.8 | 111.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 502 | F | 34.9 | Very low | 47.2 | Very low | 193 Ų | 193 | 126 Ų | 126 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | | | trans | 57.3 | 97.3 | 164.1 | -100.1 | -96.5 | 0 | 0 | 0 | 119.3 | K504 | F502-K504 HydrophobicContact CD1-CB 4.09Š|
| 503 | S | 45.3 | Very low | 45.5 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | | | trans | -76.7 | 116 | 145 | -54.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 504 | K | 46.8 | Very low | 44 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | trans | -148.9 | 98.9 | 160 | -164.6 | 171.2 | -176.7 | 177.4 | 0 | 112.7 | F502 | F502-K504 HydrophobicContact CD1-CB 4.09Š|
| 505 | E | 44.7 | Very low | 42.8 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | trans | 2.3 | 119.1 | 143.6 | 48.3 | -175.4 | 96.5 | 0 | 0 | 117.3 | | |
| 506 | G | 33.8 | Very low | 42.4 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -159.9 | 3.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 507 | A | 37.4 | Very low | 41.9 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | 63.5 | 152.2 | 167 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 508 | A | 35.3 | Very low | 40.3 | Very low | 106 Ų | 106 | 129 Ų | 129 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | | | trans | 83.6 | 133.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 509 | E | 32 | Very low | 39.1 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -101.2 | 179.6 | 170.3 | -117.8 | -134.2 | 120.2 | 0 | 0 | 110 | | |
| 510 | P | 44.3 | Very low | 37.8 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | cis | -131.2 | -172.4 | 2.1 | 25.7 | -0.4 | 0 | 0 | 0 | 115.9 | | |
| 511 | E | 32.2 | Very low | 36.4 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | trans | -53.1 | 173.3 | 162.5 | -116.7 | -147.1 | 77.2 | 0 | 0 | 114.3 | | |
| 512 | P | 44.1 | Very low | 35.5 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 58% | 0.584 | 80% | 0.795 | S | S | * | * | | | cis | -148.5 | -179.2 | 27.6 | 44.8 | -24 | 0 | 0 | 0 | 121 | | |
| 513 | Q | 29.4 | Very low | 35.2 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | 85.4 | 127.5 | 142 | -87.8 | 163.3 | 69.7 | 0 | 0 | 125.4 | | |
| 514 | S | 27.3 | Very low | 34.6 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 96.8 | 150.7 | 139.1 | 77.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 515 | L | 29.7 | Very low | 34.3 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -121.2 | -164.3 | -175.8 | -57.5 | 171.3 | 0 | 0 | 0 | 110.3 | | |
| 516 | P | 47.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | | -117.9 | -145.4 | -113.1 | 42.3 | -21.7 | 0 | 0 | 0 | 110.6 | | |
| 517 | P | 44.3 | Very low | 33.9 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | | | cis | -114.8 | 171.6 | -42.7 | 38.1 | -27 | 0 | 0 | 0 | 111.7 | | |
| 518 | S | 25.3 | Very low | 34.2 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | 173.4 | 156 | 133.9 | -83 | 0 | 0 | 0 | 0 | 113.8 | | |
| 519 | N | 30.8 | Very low | 34 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | trans | -76.6 | 141.2 | 174.3 | -50.3 | -88.5 | 0 | 0 | 0 | 111.6 | | |
| 520 | L | 28.6 | Very low | 34.2 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | | | | 165.9 | 125.6 | 105.9 | -88.1 | 176.5 | 0 | 0 | 0 | 114 | | |
| 521 | S | 26.5 | Very low | 33.7 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | | | trans | 64.7 | 141.7 | 141.4 | -146 | 0 | 0 | 0 | 0 | 122.3 | | |
| 522 | G | 25 | Very low | 33.5 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | trans | 99 | 125.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 523 | S | 28.7 | Very low | 32.9 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | cis | -151.9 | 155.6 | -8 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 524 | S | 33.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -157 | 84.7 | 162.6 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 525 | E | 39.7 | Very low | 33.4 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | | | trans | -89.3 | 118.9 | -179.3 | -75.2 | 179.6 | 75.1 | 0 | 0 | 113.3 | | |
| 526 | Q | 35.8 | Very low | 34 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | trans | -169.4 | 84.2 | 146 | -128.9 | 87.3 | 80.9 | 0 | 0 | 106.5 | | |
| 527 | Q | 34.1 | Very low | 33.5 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 58% | 0.575 | 76% | 0.764 | S | S | * | * | | | cis | 71 | 132.2 | 44.1 | -157.1 | 64.8 | 4.4 | 0 | 0 | 112.2 | | |
| 528 | P | 44.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | cis | -113 | 173.6 | -4 | 44.6 | -32.7 | 0 | 0 | 0 | 112.2 | | |
| 529 | D | 30.6 | Very low | 32.9 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 54% | 0.535 | 77% | 0.772 | S | S | . | * | | | cis | 68.3 | 147.2 | 32.8 | -135.8 | 11.6 | 0 | 0 | 0 | 112.1 | N531 | D529-N531 PolarHBondContact OD1-ND2 2.89Š|
| 530 | I | 35.3 | Very low | 32.7 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | cis | -135.5 | -173.4 | 11.3 | 52.9 | 164 | 0 | 0 | 0 | 110.4 | | |
| 531 | N | 33.3 | Very low | 32.6 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | | -169.7 | 146 | -73.7 | -132.4 | -53.4 | 0 | 0 | 0 | 107.4 | D529 | D529-N531 PolarHBondContact OD1-ND2 2.89Š|
| 532 | L | 29.2 | Very low | 33.9 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | | | trans | -155.7 | 162.8 | 172.5 | -140.3 | 70.1 | 0 | 0 | 0 | 115.3 | | |
| 533 | D | 32 | Very low | 34 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | -96.5 | -178.5 | -144.5 | -159 | 14.5 | 0 | 0 | 0 | 116.6 | | |
| 534 | L | 32 | Very low | 34.1 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -39.9 | 155.3 | -176.4 | -65.7 | 152.9 | 0 | 0 | 0 | 119.9 | | |
| 535 | S | 35.1 | Very low | 33.9 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -47.8 | 163.1 | 165.4 | -48.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 536 | P | 42.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | -150.6 | 176.7 | 27.6 | 43.8 | -22.9 | 0 | 0 | 0 | 119.8 | | |
| 537 | L | 35.9 | Very low | 33.2 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | 43.1 | 126.6 | 151.7 | -67.5 | 171.4 | 0 | 0 | 0 | 122.3 | | |
| 538 | T | 27.1 | Very low | 33 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | | 175.1 | 146.5 | 118.5 | -75.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 539 | L | 29.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -14.9 | 144.4 | 169.2 | -59.8 | 163.7 | 0 | 0 | 0 | 121.5 | | |
| 540 | G | 26.1 | Very low | 32.9 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | -179.8 | 108.9 | 160 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 541 | S | 26.7 | Very low | 32.4 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -107.7 | -173.1 | 175 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 542 | P | 54 | Low | 32.1 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | | | | -127.6 | -178 | -56.7 | 37.4 | -23.2 | 0 | 0 | 0 | 111.8 | | |
| 543 | Q | 28.1 | Very low | 33.3 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | | -175.8 | 160.4 | 129.7 | -104 | 164.4 | 10.3 | 0 | 0 | 115.5 | | |
| 544 | N | 30 | Very low | 33.1 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -92.5 | 162.2 | 178 | -52.3 | -88.7 | 0 | 0 | 0 | 111.6 | | |
| 545 | H | 30.4 | Very low | 34.4 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | | | | -170.3 | 161.7 | 120 | 49.3 | -81.1 | 0 | 0 | 0 | 112.9 | | |
| 546 | T | 28.6 | Very low | 34.7 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | trans | -123.6 | 154.4 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 547 | L | 32.6 | Very low | 34.2 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | 144.9 | 122.9 | 145.4 | -79.6 | 164.9 | 0 | 0 | 0 | 112.3 | | |
| 548 | Q | 28.2 | Very low | 34 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | | 170.5 | 150.5 | 111.8 | -92.2 | -164.8 | 65.3 | 0 | 0 | 115.1 | | |
| 549 | A | 28.6 | Very low | 34.1 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | -158.2 | 170.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 550 | P | 44.8 | Very low | 34.2 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | cis | -143 | -166.7 | 19.8 | 43.5 | -22.8 | 0 | 0 | 0 | 115.8 | | |
| 551 | G | 25.4 | Very low | 34.3 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | 163.1 | 134.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 552 | E | 26.8 | Very low | 34.4 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -137.9 | -167.4 | 179.2 | -133.8 | -139.3 | 121.5 | 0 | 0 | 108.5 | | |
| 553 | P | 53.9 | Low | 34 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | | | cis | -134.7 | -177.4 | -9.7 | 43.7 | -27.4 | 0 | 0 | 0 | 115.6 | | |
| 554 | A | 28.8 | Very low | 34.3 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | | 161 | 132.8 | 126.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 555 | P | 58.2 | Low | 35 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -94.2 | -172.5 | 169.9 | 41.5 | -37.7 | 0 | 0 | 0 | 112.3 | | |
| 556 | P | 42 | Very low | 35.5 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | cis | -127.9 | -149.1 | 9.3 | 45.4 | -25 | 0 | 0 | 0 | 112.8 | | |
| 557 | W | 31.2 | Very low | 35.5 | Very low | 233 Ų | 233 | 134.2 Ų | 134.2 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | cis | -149.1 | -170.9 | 40.4 | 55.3 | -79.4 | 0 | 0 | 0 | 113.1 | | |
| 558 | A | 31.7 | Very low | 35.8 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | | | trans | -152.9 | -170.3 | -169 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 559 | E | 29.6 | Very low | 35.9 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 66% | 0.659 | 75% | 0.749 | S | S | * | * | | | trans | 84 | 144.2 | -179.6 | -58.5 | -161.8 | 91.3 | 0 | 0 | 116.7 | R561 | E559-R561 IonicContact OE1-CZ 2.69Å; E559-R561 VanDerWaalsContact OE1-CZ 3.25Å; E559-R561 IonicContact OE1-NH1 3.66Å; E559-R561 PolarHBondContact OE1-NH1 3.33Å; E559-R561 IonicContact OE1-NH2 3.75Å; E559-R561 PolarHBondContact OE1-NH2 3.07Å; E559-R561 IonicContact OE2-NH2 2.99Å |
| 560 | M | 33 | Very low | 36.2 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | | | cis | -172 | -164.7 | -14.1 | -102.4 | -94 | -171.9 | 0 | 0 | 106.5 | | |
| 561 | R | 27.8 | Very low | 35.4 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | | | cis | -157.5 | 162.7 | 8.1 | -136 | 154.5 | -63.1 | -93.9 | 7.3 | 108.3 | E559 | E559-R561 IonicContact OE1-CZ 2.69Å; E559-R561 VanDerWaalsContact OE1-CZ 3.25Å; E559-R561 IonicContact OE1-NH1 3.66Å; E559-R561 PolarHBondContact OE1-NH1 3.33Å; E559-R561 IonicContact OE1-NH2 3.75Å; E559-R561 PolarHBondContact OE1-NH2 3.07Å; E559-R561 IonicContact OE2-NH2 2.99Å |
| 562 | G | 29.1 | Very low | 35.6 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | trans | -78.3 | 179.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 563 | P | 45.3 | Very low | 36.8 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | | | | -149.6 | -178.3 | 64.2 | 40.8 | -20.7 | 0 | 0 | 0 | 118.1 | | |
| 564 | H | 34.8 | Very low | 37.1 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | trans | -76.8 | 172.6 | 173 | -133.3 | -56 | 0 | 0 | 0 | 112.4 | | |
| 565 | P | 43.6 | Very low | 37.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | | | | -153.2 | -150.8 | 92.5 | 50.1 | -29.6 | 0 | 0 | 0 | 113.3 | | |
| 566 | P | 41.6 | Very low | 36.3 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | | | | -141.7 | -171.7 | -126.2 | 29.1 | 0.4 | 0 | 0 | 0 | 119 | | |
| 567 | W | 28.9 | Very low | 35.9 | Very low | 212 Ų | 212 | 137.1 Ų | 137.1 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | | | trans | 57.2 | -176.9 | 151.7 | 84.6 | -76.8 | 0 | 0 | 0 | 122.3 | | |
| 568 | T | 37.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | | | | -168.7 | 169.7 | -70.9 | -70.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 569 | E | 32 | Very low | 36.9 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | | | trans | 96.1 | -167.9 | 169.2 | -144.1 | 174.1 | 130.7 | 0 | 0 | 117.7 | | |
| 570 | V | 34.3 | Very low | 36.9 | Very low | 122 Ų | 122 | 134 Ų | 134 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | | | trans | -162.2 | -172.4 | -138.7 | 84.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 571 | R | 28.6 | Very low | 36.9 | Very low | 232 Ų | 232 | 134.1 Ų | 134.1 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | | | trans | 89.9 | 145.1 | -172.8 | -56.2 | 176 | 179.3 | -132.4 | 0.8 | 113 | | |
| 572 | G | 29.2 | Very low | 37.3 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | cis | 178.9 | 152.8 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 573 | P | 50.8 | Low | 37.7 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -110.9 | -167.9 | -169 | 42.3 | -35.3 | 0 | 0 | 0 | 114.5 | | |
| 574 | P | 60.3 | Low | 37.4 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | | -117.2 | -173.4 | -64.7 | 40.4 | -26 | 0 | 0 | 0 | 111.3 | | |
| 575 | P | 42.6 | Very low | 37.7 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | | -162.4 | 159 | 97.1 | 40.7 | -20.7 | 0 | 0 | 0 | 119.1 | | |
| 576 | G | 28.8 | Very low | 37.5 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | 72.3 | 150.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 577 | I | 32.3 | Very low | 37.2 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 92% | 0.918 | 81% | 0.809 | S | S | * | * | | | cis | -144.8 | 159.2 | 0.2 | 27.2 | 172.7 | 0 | 0 | 0 | 109.8 | | |
| 578 | A | 36.7 | Very low | 37.5 | Very low | 94 Ų | 94 | 145 Ų | 145 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | | | trans | -110.2 | -172.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 579 | P | 47.7 | Very low | 37.3 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | cis | -137 | 172.4 | -2.5 | 42.8 | -26.8 | 0 | 0 | 0 | 116.1 | | |
| 580 | E | 31.1 | Very low | 37.4 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -160.8 | 179.3 | 132.5 | -122 | -136.4 | 85.5 | 0 | 0 | 113.8 | | |
| 581 | N | 32.8 | Very low | 37.8 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | trans | -80.5 | 145.5 | -162.7 | -56.1 | -79.9 | 0 | 0 | 0 | 114.4 | | |
| 582 | G | 34.6 | Very low | 38.1 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -157 | 97.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | V584 | G582-V584 PolarHBondContact O-N 2.88Š|
| 583 | L | 39.1 | Very low | 38.5 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | | | trans | -86.3 | 90.1 | -177.3 | -76 | 166.2 | 0 | 0 | 0 | 113.5 | | |
| 584 | V | 37.4 | Very low | 38 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -151.7 | 113 | 148.5 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | G582 | G582-V584 PolarHBondContact O-N 2.88Š|
| 585 | R | 42.4 | Very low | 37.4 | Very low | 242 Ų | 242 | 145.7 Ų | 145.7 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | | | trans | -171.1 | 143 | 131.1 | -103.6 | 171.7 | 92.8 | 112.7 | -0.7 | 110.2 | | |
| 586 | R | 39.8 | Very low | 37.1 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -78 | 127.2 | -171.5 | -69.9 | 155.4 | 64 | 172.1 | 0.1 | 110.8 | | |
| 587 | L | 35 | Very low | 37.7 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -70.5 | 136.7 | 162.6 | -120.5 | 68.9 | 0 | 0 | 0 | 108.8 | T589 | L587-T589 HydrophobicContact CG-CG2 4.48Š|
| 588 | N | 33.9 | Very low | 37.8 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -125.1 | 81.1 | 173.2 | -155.7 | 7.8 | 0 | 0 | 0 | 108.2 | | |
| 589 | T | 34.5 | Very low | 37.6 | Very low | 102 Ų | 102 | 154 Ų | 154 | 63% | 0.626 | 80% | 0.801 | S | S | * | * | | | trans | -143.5 | 105 | -172.3 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | L587 | L587-T589 HydrophobicContact CG-CG2 4.48Š|
| 590 | V | 34.1 | Very low | 36.7 | Very low | 139 Ų | 139 | 157.7 Ų | 157.7 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 130 | 164.5 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 591 | P | 42.3 | Very low | 36.8 | Very low | 101 Ų | 101 | 155.6 Ų | 155.6 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 143.6 | -174.2 | 30.2 | -35.2 | 0 | 0 | 0 | 112.9 | L593 | P591-L593 PolarHBondContact O-N 2.83Š|
| 592 | N | 34.5 | Very low | 36.8 | Very low | 134 Ų | 134 | 154.5 Ų | 154.5 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 120.2 | 172.9 | -178.1 | -61 | 0 | 0 | 0 | 111.1 | S594 | N592-S594 WeakPolarHBondContact OD1-CB 3.19Å; N592-S594 PolarHBondContact OD1-N 2.85Å; N592-S594 PolarHBondContact OD1-OG 2.85Å |
| 593 | L | 37 | Very low | 36.3 | Very low | 167 Ų | 167 | 160.4 Ų | 160.4 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -106.3 | 77.4 | 176.9 | -69.7 | 178.8 | 0 | 0 | 0 | 111.8 | P591 | P591-L593 PolarHBondContact O-N 2.83Š|
| 594 | S | 40.4 | Very low | 36 | Very low | 92 Ų | 92 | 158.2 Ų | 158.2 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | | | trans | -135.3 | 35.2 | 176.5 | 65.7 | 0 | 0 | 0 | 0 | 114.7 | N592 | N592-S594 WeakPolarHBondContact OD1-CB 3.19Å; N592-S594 PolarHBondContact OD1-N 2.85Å; N592-S594 PolarHBondContact OD1-OG 2.85Å |
| 595 | R | 48.9 | Very low | 35.4 | Very low | 228 Ų | 228 | 155.3 Ų | 155.3 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -128.8 | 110.7 | 171.8 | -67.1 | -170 | -179 | -126.7 | -3.1 | 112.4 | I597 | R595-I597 PolarHBondContact O-N 3.34Š|
| 596 | V | 36.7 | Very low | 35.3 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | | | trans | -71.3 | 118.9 | 170 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 597 | I | 40.3 | Very low | 34.9 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | | | trans | -114.4 | 118.1 | 170.2 | -57.2 | 178.9 | 0 | 0 | 0 | 107.6 | R595 V599 | R595-I597 PolarHBondContact O-N 3.34Å; I597-V599 HydrophobicContact CG2-CG2 4Å; I597-V599 PolarHBondContact O-N 3.48Å |
| 598 | W | 34 | Very low | 34.4 | Very low | 253 Ų | 253 | 146.9 Ų | 146.9 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | | | trans | -70.4 | 116 | 169 | -91.9 | 14.9 | 0 | 0 | 0 | 109.8 | | |
| 599 | V | 32.6 | Very low | 34.2 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -117.6 | 125.7 | 169.7 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | I597 | I597-V599 HydrophobicContact CG2-CG2 4Å; I597-V599 PolarHBondContact O-N 3.48Å |
| 600 | K | 29.4 | Very low | 33.8 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 130.5 | -179.5 | -173.1 | 164.2 | 60.8 | 179 | 0 | 109.8 | | |
| 601 | T | 32.2 | Very low | 33.4 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 133 | -172.1 | 39.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 602 | P | 32.9 | Very low | 33.4 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79 | 158.8 | 156.6 | -9.4 | 27.6 | 0 | 0 | 0 | 111.2 | | |
| 603 | K | 26 | Very low | 32.9 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 152.7 | 169.2 | -84.3 | -178.5 | 173.7 | 179.2 | 0 | 111.2 | | |
| 604 | P | 31.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 146.1 | 178.2 | 31.5 | -35.4 | 0 | 0 | 0 | 112.3 | | |
| 605 | G | 25.5 | Very low | 31.9 | Very low | 71 Ų | 71 | 150.2 Ų | 150.2 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | -152.2 | 139.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 606 | Y | 39.3 | Very low | 30.8 | Very low | 233 Ų | 233 | 146.5 Ų | 146.5 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | -84.3 | 139.5 | 175.9 | -110.6 | -97.7 | 0 | 0 | 0 | 110.6 | | |
| 607 | P | 32.3 | Very low | 30.6 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | | -135 | 151.8 | 122.2 | 38.3 | -28.1 | 0 | 0 | 0 | 110.6 | | |
| 608 | S | 24.4 | Very low | 30.8 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | cis | 72.7 | 140.9 | 40.6 | -157.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 609 | S | 30.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -104.7 | 178.6 | -167.4 | -165.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 610 | E | 26.2 | Very low | 29.7 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | 83.3 | 158.8 | 167.4 | -67.5 | -179.4 | 72.9 | 0 | 0 | 118.8 | | |
| 611 | E | 25.9 | Very low | 29.5 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -128.4 | -151 | -155.1 | -158.9 | -143.4 | 138.5 | 0 | 0 | 111 | | |
| 612 | P | 41.3 | Very low | 29.1 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | | -87.6 | 163.3 | -110.4 | 38.4 | -32.5 | 0 | 0 | 0 | 115.2 | | |
| 613 | S | 23.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | | | trans | -145.1 | 164.4 | 145.2 | -165.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 614 | S | 28.2 | Very low | 28.8 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | -141.6 | 147.7 | -166.5 | 59 | 0 | 0 | 0 | 0 | 112.5 | | |
| 615 | K | 28.2 | Very low | 28.9 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | trans | 159.1 | 146 | 131.8 | -87.9 | 164.6 | 173.3 | -162.8 | 0 | 115.3 | | |
| 616 | E | 26.2 | Very low | 29.1 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 62.9 | 112.5 | 138.7 | -67.3 | 173 | 77.4 | 0 | 0 | 123.7 | | |
| 617 | V | 32.5 | Very low | 29.1 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | | 80.1 | 147.1 | 122 | 173.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 618 | P | 45.6 | Very low | 28.7 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | trans | -121.3 | -159.5 | -155.1 | 44.1 | -29.8 | 0 | 0 | 0 | 115.2 | | |
| 619 | S | 22.7 | Very low | 28.7 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | trans | 90.6 | 149.7 | 177.7 | -135.7 | 0 | 0 | 0 | 0 | 114 | | |
| 620 | C | 20.4 | Very low | 28.6 | Very low | 93 Ų | 93 | 134 Ų | 134 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | | | cis | -152.7 | 140.9 | 3.3 | -147.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 621 | K | 24.8 | Very low | 28.7 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | | | trans | 36.7 | 150.1 | 141.2 | -68.4 | -178.2 | -168.6 | 179.6 | 0 | 125.1 | | |
| 622 | Q | 24.7 | Very low | 28.8 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | 74.3 | 153.3 | 145.3 | -77.8 | 165.4 | -95.2 | 0 | 0 | 118 | | |
| 623 | E | 22.3 | Very low | 28.4 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | | | cis | -140.7 | 169.6 | 4.3 | -148.5 | 160 | 116 | 0 | 0 | 114 | | |
| 624 | L | 28.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -109.2 | 141.8 | 173.6 | 173 | 58.2 | 0 | 0 | 0 | 108 | | |
| 625 | P | 34.4 | Very low | 29.8 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | | -145 | 129.2 | 116.3 | 31.1 | -12.6 | 0 | 0 | 0 | 116 | | |
| 626 | E | 28.6 | Very low | 30.1 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | trans | -62.2 | 178.1 | 145.8 | -120.3 | -167.3 | 99.4 | 0 | 0 | 110.3 | | |
| 627 | P | 40.5 | Very low | 30.4 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | cis | -158.3 | -168.9 | 46.3 | 31.3 | -2 | 0 | 0 | 0 | 118.7 | | |
| 628 | V | 23.4 | Very low | 30.5 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | | | trans | 97.6 | 95.9 | 149.7 | -166.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 629 | S | 25.2 | Very low | 30 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | | 41.4 | 121.3 | 125.9 | -50.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 630 | S | 28.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | | 163.1 | 147.7 | 108.9 | -71.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 631 | G | 26.6 | Very low | 30.9 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | cis | 131.6 | 76.1 | -0.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 632 | G | 28.3 | Very low | 31.3 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 177.9 | 126.8 | 176 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 633 | K | 33.5 | Very low | 31.6 | Very low | 208 Ų | 208 | 143.2 Ų | 143.2 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -134.3 | 143.4 | 156.9 | -71.4 | 178.1 | -179.7 | 171.9 | 0 | 107.8 | | |
| 634 | P | 42.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -136.8 | -171.5 | 140.8 | 30.7 | -13.2 | 0 | 0 | 0 | 114 | | |
| 635 | R | 37.7 | Very low | 32.1 | Very low | 236 Ų | 236 | 142.9 Ų | 142.9 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -131.6 | 146.4 | -164.7 | -76.6 | 169.5 | 118.2 | -170.8 | 5.8 | 113.4 | | |
| 636 | K | 35.7 | Very low | 31.9 | Very low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | | 70.4 | 129 | 129.8 | -178.6 | -171.6 | 175.6 | -172.8 | 0 | 122.5 | | |
| 637 | G | 31.1 | Very low | 32 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | 147.3 | 133.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 638 | K | 34.2 | Very low | 31.4 | Very low | 206 Ų | 206 | 147 Ų | 147 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | | | cis | 85.8 | 82.4 | 2 | -154.9 | -173.9 | 179.2 | -179.4 | 0 | 120.4 | | |
| 639 | R | 35.6 | Very low | 31.5 | Very low | 216 Ų | 216 | 146.4 Ų | 146.4 | 82% | 0.815 | 82% | 0.824 | S | S | * | * | | | trans | -148.4 | 139.2 | 146.4 | -98.7 | -169.9 | 171.8 | -150.1 | -4.1 | 107.2 | | |
| 640 | Q | 33.3 | Very low | 31.6 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | | | | 71.9 | 124.8 | 68.7 | -168.4 | -175.2 | 23.6 | 0 | 0 | 112.3 | | |
| 641 | G | 28.9 | Very low | 32.4 | Very low | 65 Ų | 65 | 146.7 Ų | 146.7 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | | | cis | 173 | -179.4 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 642 | S | 33.7 | Very low | 32.5 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | 59.3 | 107.6 | 155.6 | 57.1 | 0 | 0 | 0 | 0 | 125 | | |
| 643 | Q | 30.6 | Very low | 32.7 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | | 66.2 | 153.8 | 124.6 | -77.2 | -154.3 | 5.3 | 0 | 0 | 126.9 | | |
| 644 | A | 29.8 | Very low | 32.5 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | | | trans | 87.7 | 152.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 645 | K | 32.3 | Very low | 33.2 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | cis | -173.8 | 160.9 | -26.6 | -177.4 | 169.8 | 177.9 | 178.3 | 0 | 109.7 | | |
| 646 | K | 30.7 | Very low | 33.5 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | 80.7 | 134.6 | -178.7 | -64.7 | -169.4 | 172.5 | -172.2 | 0 | 114.4 | | |
| 647 | S | 29.9 | Very low | 33.4 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | cis | 87.4 | 139.7 | 35.7 | 86.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 648 | E | 27.6 | Very low | 33.2 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | cis | -162.9 | 151.5 | 18.3 | -171.7 | -178 | 131 | 0 | 0 | 111.9 | | |
| 649 | A | 26.4 | Very low | 33.1 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -174.9 | 154.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 650 | S | 27.6 | Very low | 32.6 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -148.9 | 157.9 | 172.1 | -170.4 | 0 | 0 | 0 | 0 | 110 | | |
| 651 | P | 44.7 | Very low | 32.8 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | | -147.9 | 176.4 | 105.2 | 38.8 | -22.8 | 0 | 0 | 0 | 115.4 | | |
| 652 | A | 28.5 | Very low | 33.6 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | | | trans | -110.6 | 168.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 653 | P | 33.1 | Very low | 33.2 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | | -141.7 | -173 | 109.1 | 37.6 | -23.4 | 0 | 0 | 0 | 114.5 | | |
| 654 | R | 28.8 | Very low | 33.2 | Very low | 239 Ų | 239 | 132.5 Ų | 132.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -119.8 | -152.3 | 176.6 | -59.1 | -177.9 | 163.2 | -165.5 | -2.2 | 112.5 | | |
| 655 | P | 57.6 | Low | 33.2 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -106.7 | -168.8 | -134.9 | 36.8 | -14.9 | 0 | 0 | 0 | 113.5 | | |
| 656 | P | 43.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | | -150.2 | -170 | 108.9 | 40.5 | -24.2 | 0 | 0 | 0 | 115.1 | | |
| 657 | A | 33.5 | Very low | 32.9 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -140.7 | 152.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 658 | S | 26.8 | Very low | 32.9 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | trans | -165.2 | 119.1 | 173.5 | -170.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 659 | L | 31.8 | Very low | 33 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | | 60.6 | 114.7 | 78.6 | -71.2 | 171.7 | 0 | 0 | 0 | 115.5 | | |
| 660 | E | 24.8 | Very low | 33.1 | Very low | 177 Ų | 177 | 129.2 Ų | 129.2 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | | -164.2 | 149.2 | 125.5 | -102.6 | -129.2 | 84.3 | 0 | 0 | 112.8 | | |
| 661 | V | 37.6 | Very low | 33.8 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | -162.9 | 124.6 | 180 | 171.4 | 0 | 0 | 0 | 0 | 105.4 | | |
| 662 | P | 46 | Very low | 32.9 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | | | | -165.5 | 171.7 | 97.2 | 41.6 | -19.9 | 0 | 0 | 0 | 120.4 | | |
| 663 | S | 26.3 | Very low | 32.9 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | | 113.2 | 139.3 | 124.9 | -138.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 664 | A | 30.7 | Very low | 33.2 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | | | trans | 70.4 | 87.9 | 141 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 665 | K | 28 | Very low | 33.1 | Very low | 208 Ų | 208 | 129.3 Ų | 129.3 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | | 63.6 | 81.3 | 104.5 | -161.7 | -177.7 | -177.3 | -179.1 | 0 | 121.7 | | |
| 666 | G | 27.5 | Very low | 31.6 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | | 87.3 | 147.3 | 113.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 667 | Q | 29.3 | Very low | 30.7 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | trans | -160 | -179.5 | 151.1 | -117 | -177 | 62.4 | 0 | 0 | 111.8 | | |
| 668 | V | 30.1 | Very low | 30.4 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -138.1 | 132.3 | -156.3 | 178.3 | 0 | 0 | 0 | 0 | 114 | | |
| 669 | A | 29.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -165.3 | 147.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 670 | G | 28.4 | Very low | 31.3 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -105.4 | -165.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 671 | P | 43.3 | Very low | 32 | Very low | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | cis | -150.2 | -177 | 40 | 44.2 | -24.6 | 0 | 0 | 0 | 118 | | |
| 672 | K | 25.7 | Very low | 31.7 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | 74.7 | 130.5 | 157.7 | -75.3 | 176.9 | 178.4 | 178.6 | 0 | 120.7 | | |
| 673 | Q | 29.1 | Very low | 30.8 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | trans | -101 | -175.8 | 169.7 | -74.8 | -90.3 | -30.3 | 0 | 0 | 109 | | |
| 674 | P | 39.3 | Very low | 30.8 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | | | cis | -129.4 | 176 | -9.5 | 25.5 | -3.2 | 0 | 0 | 0 | 114.2 | | |
| 675 | G | 25.6 | Very low | 30.8 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | -167.9 | 122.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 676 | K | 27.2 | Very low | 31 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -161 | 130.5 | 177.7 | 45.2 | -179.4 | 169.7 | -177 | 0 | 112.4 | | |
| 677 | V | 23.3 | Very low | 31.3 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -167.3 | 153.3 | 159.1 | 130.9 | 0 | 0 | 0 | 0 | 109 | | |
| 678 | L | 28.4 | Very low | 31.2 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -148.2 | 119.8 | 178.8 | -111 | 165.3 | 0 | 0 | 0 | 108.1 | | |
| 679 | E | 27.2 | Very low | 31.3 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | trans | 55.5 | 179.6 | 177.8 | -88.3 | -138.1 | 88.5 | 0 | 0 | 115.7 | | |
| 680 | P | 49 | Very low | 31.2 | Very low | 106 Ų | 106 | 131 Ų | 131 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | | | cis | -111.2 | -150.3 | -5.3 | 39.6 | -21.2 | 0 | 0 | 0 | 110.3 | | |
| 681 | P | 41.1 | Very low | 31.3 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | cis | -138.1 | -150 | -0.6 | 44.8 | -23.2 | 0 | 0 | 0 | 115.6 | | |
| 682 | K | 29.9 | Very low | 30.4 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | | | trans | -143.1 | 153.7 | -174.5 | 179.8 | 179.6 | -178.5 | 178.6 | 0 | 111.2 | | |
| 683 | V | 27.7 | Very low | 30.6 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -149.4 | 150.3 | 172.4 | 67.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 684 | G | 25.6 | Very low | 30.7 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | cis | -166.1 | -178.2 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 685 | S | 32 | Very low | 30 | Very low | 122 Ų | 122 | 133 Ų | 133 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -160.8 | 155.1 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 686 | C | 31.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -170.5 | 157.2 | 171.9 | -104.7 | 0 | 0 | 0 | 0 | 109 | | |
| 687 | S | 33.2 | Very low | 30.5 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | | | cis | -135.6 | -171.2 | 0.7 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 688 | E | 28.6 | Very low | 31.1 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | cis | -152.8 | 168 | 9.4 | -158.6 | 136.1 | 107.2 | 0 | 0 | 113.7 | | |
| 689 | A | 32.1 | Very low | 30.9 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -68.5 | -173.3 | -176 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 690 | G | 26.4 | Very low | 32.1 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | | | cis | -158.6 | 161 | 4.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 691 | E | 30.1 | Very low | 30.9 | Very low | 208 Ų | 208 | 126.6 Ų | 126.6 | 97% | 0.972 | 79% | 0.794 | S | S | * | * | | | | 65 | 128 | 98.1 | -163.3 | 170.7 | 139.4 | 0 | 0 | 115.2 | | |
| 692 | G | 26.4 | Very low | 30.2 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | | | cis | 176.2 | -149 | 2.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 693 | S | 29.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | 79.8 | 169.5 | 171 | -67.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 694 | R | 30.2 | Very low | 30 | Very low | 246 Ų | 246 | 124.4 Ų | 124.4 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | | | trans | -144.8 | 131.2 | -150.9 | -57.4 | 170.9 | -176.7 | -104.1 | -1.1 | 115.4 | | |
| 695 | G | 26.2 | Very low | 30.4 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | 71.5 | 133.8 | 131 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 696 | S | 29.8 | Very low | 31 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -167.5 | 159.9 | 141.5 | -86.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 697 | R | 33.7 | Very low | 30.8 | Very low | 228 Ų | 228 | 129.1 Ų | 129.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -140 | 141 | 174.3 | -150.7 | -174.9 | -156.6 | -89.5 | 4.8 | 107.9 | | |
| 698 | P | 34.2 | Very low | 30.7 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | | -142.3 | 176.3 | 122.2 | 37.8 | -24.6 | 0 | 0 | 0 | 113.7 | | |
| 699 | G | 25.4 | Very low | 30.6 | Very low | 59 Ų | 59 | 128.4 Ų | 128.4 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | -131.5 | -157.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 700 | P | 51.2 | Low | 30.6 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | cis | -128.7 | -165.3 | -2.3 | 42.8 | -26.9 | 0 | 0 | 0 | 112.3 | | |
| 701 | G | 24.5 | Very low | 30.8 | Very low | 50 Ų | 50 | 135 Ų | 135 | 52% | 0.515 | 78% | 0.784 | S | S | . | * | | | trans | 150.3 | 116.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 702 | W | 27.5 | Very low | 30.8 | Very low | 236 Ų | 236 | 133.2 Ų | 133.2 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | | | trans | 20.2 | 128 | 144.8 | -36 | -71.3 | 0 | 0 | 0 | 120.1 | | |
| 703 | A | 28.9 | Very low | 30.7 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | cis | 92.4 | 130 | 44 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 704 | G | 23.7 | Very low | 30.7 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | | | trans | 177.5 | 129.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 705 | S | 33.7 | Very low | 30.4 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -127.8 | 156.5 | 174.1 | -52.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 706 | P | 44 | Very low | 30.5 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | | -118.2 | 157.1 | 105.3 | -6.6 | 27.4 | 0 | 0 | 0 | 112.4 | | |
| 707 | K | 28.6 | Very low | 30.4 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | | 68.1 | 135.7 | 57 | -118 | -169.5 | 176.3 | -175 | 0 | 111.9 | E709 | K707-E709 WeakPolarHBondContact CE-OE2 3.24Å; K707-E709 WeakPolarHBondContact CG-OE2 3.31Å |
| 708 | T | 31.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | | | cis | -153.4 | 166.1 | 20.5 | 38.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 709 | E | 26.4 | Very low | 29.8 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | cis | -177.5 | 154.2 | -34 | -131.8 | 169.5 | 92.1 | 0 | 0 | 109.7 | K707 | K707-E709 WeakPolarHBondContact CE-OE2 3.24Å; K707-E709 WeakPolarHBondContact CG-OE2 3.31Å |
| 710 | K | 30.6 | Very low | 30.4 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 73% | 0.726 | 77% | 0.767 | S | S | * | * | | | trans | 74.5 | 118.2 | 151.3 | -137.1 | 160.1 | -176 | 172.2 | 0 | 120.2 | | |
| 711 | E | 31.4 | Very low | 29.1 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | | 65.6 | 146.4 | 82.1 | -107.7 | -153.2 | 126.3 | 0 | 0 | 115.5 | | |
| 712 | K | 29 | Very low | 29.5 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | cis | -175.9 | 126.1 | -19.9 | 164.6 | -177.1 | 80.2 | -157.3 | 0 | 112.2 | | |
| 713 | G | 26.2 | Very low | 29.6 | Very low | 63 Ų | 63 | 138.1 Ų | 138.1 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | 68.4 | 169.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 714 | S | 28 | Very low | 29.4 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | trans | 68.5 | 162.5 | 172.9 | 87.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 715 | S | 24.5 | Very low | 29.5 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | cis | -174.2 | 120.2 | -21.4 | 154.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 716 | W | 26.8 | Very low | 29.2 | Very low | 231 Ų | 231 | 148.8 Ų | 148.8 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | | | trans | 49 | 126 | 159.7 | -66 | 74.4 | 0 | 0 | 0 | 120.5 | | |
| 717 | R | 29.2 | Very low | 28.8 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | -163.6 | 179 | 132.2 | -80.5 | -130.9 | -179.9 | -86.3 | -7.6 | 110.3 | | |
| 718 | N | 27.5 | Very low | 28.7 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | | | trans | -108.8 | 164.6 | -160.1 | -78.5 | -90.2 | 0 | 0 | 0 | 115.5 | | |
| 719 | W | 27.6 | Very low | 28.5 | Very low | 222 Ų | 222 | 147.8 Ų | 147.8 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | | | trans | 1.3 | 149.4 | 145 | -61.5 | 117.9 | 0 | 0 | 0 | 120.1 | | |
| 720 | P | 36.9 | Very low | 28.5 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | | -139.4 | -179.7 | 50.4 | 37.9 | -18.3 | 0 | 0 | 0 | 116.2 | | |
| 721 | G | 25.7 | Very low | 28.2 | Very low | 60 Ų | 60 | 149.6 Ų | 149.6 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | | | cis | 163.9 | 171.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 722 | E | 32.2 | Very low | 27.9 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | trans | 63.1 | 148.2 | 163.8 | -77.2 | -161 | 76.2 | 0 | 0 | 120.9 | | |
| 723 | A | 29.1 | Very low | 27.6 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | cis | -165 | 177.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 724 | K | 24.3 | Very low | 27.5 | Very low | 208 Ų | 208 | 151.9 Ų | 151.9 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | | | trans | 93.2 | 127.8 | 152.5 | -152.8 | 175.8 | -170.4 | 171.2 | 0 | 117.1 | | |
| 725 | A | 26.7 | Very low | 29.1 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | | | cis | -161.5 | 166 | -17.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 726 | R | 27.2 | Very low | 29.7 | Very low | 223 Ų | 223 | 152.5 Ų | 152.5 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | | | trans | -137.1 | 160.2 | 173.7 | -150.3 | -164.4 | -172.1 | -158 | 3.4 | 110.7 | | |
| 727 | P | 35.9 | Very low | 29.6 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | | -127.8 | 148.8 | 124.5 | 3 | 19.1 | 0 | 0 | 0 | 111.9 | | |
| 728 | Q | 26.1 | Very low | 30.6 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | | | cis | 83.2 | 126 | 34 | -166.6 | 179.2 | -4.4 | 0 | 0 | 111.8 | | |
| 729 | E | 26.4 | Very low | 30.5 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | cis | -130.4 | -142.3 | 7.2 | -134.7 | 161.3 | 69.5 | 0 | 0 | 110.6 | | |
| 730 | Q | 27.9 | Very low | 30.6 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | cis | -148.2 | -146.6 | 1.3 | -150.4 | 150.6 | 65.6 | 0 | 0 | 112 | | |
| 731 | E | 22.8 | Very low | 30.7 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -149.6 | 159.3 | -158.8 | -161.3 | -157.8 | 81.9 | 0 | 0 | 115.4 | | |
| 732 | S | 24.8 | Very low | 31 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | | 120.1 | 153 | 127.1 | -134.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 733 | V | 24.3 | Very low | 30.7 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | trans | 84.7 | 159 | 164 | -164 | 0 | 0 | 0 | 0 | 120.7 | | |
| 734 | Q | 24.4 | Very low | 30.8 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -120.1 | 179.3 | -156.5 | -112.6 | -153.4 | -0.8 | 0 | 0 | 115.8 | | |
| 735 | P | 59.8 | Low | 31.7 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | | | trans | -95.6 | -177.5 | -165.6 | 41.9 | -40.8 | 0 | 0 | 0 | 115.8 | | |
| 736 | P | 38.7 | Very low | 32.1 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | | -151.7 | -179.9 | 97.6 | 40.8 | -22.8 | 0 | 0 | 0 | 116.5 | | |
| 737 | G | 23.1 | Very low | 32.4 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -97 | -154 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 738 | P | 50.2 | Low | 32.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | | | cis | -142.6 | -166.2 | 5.2 | 43.8 | -24.3 | 0 | 0 | 0 | 116.4 | | |
| 739 | A | 26.9 | Very low | 32.9 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | | | trans | 106.1 | 154.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 740 | R | 28.7 | Very low | 33.7 | Very low | 204 Ų | 204 | 141 Ų | 141 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | -93.3 | -175 | -171.8 | -119.4 | -170.3 | 163.9 | -141.9 | 4.5 | 111.6 | | |
| 741 | P | 40.4 | Very low | 34.1 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | cis | -143 | 166.1 | 12 | 40.3 | -19.2 | 0 | 0 | 0 | 120.4 | | |
| 742 | Q | 30.1 | Very low | 35.1 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | 35.5 | 129.4 | 141.3 | -62 | 172.4 | -88 | 0 | 0 | 124 | | |
| 743 | S | 27.1 | Very low | 35.9 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | | -177.3 | 163 | 115.5 | 52.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 744 | L | 29.9 | Very low | 36.8 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -97.8 | -170.3 | 170.1 | -73.4 | 85.2 | 0 | 0 | 0 | 110.2 | | |
| 745 | P | 45.3 | Very low | 37.7 | Very low | 100 Ų | 100 | 146 Ų | 146 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | | | cis | -136.4 | 179.6 | -8.1 | 27 | -2.2 | 0 | 0 | 0 | 116.7 | | |
| 746 | Q | 35.1 | Very low | 36.5 | Very low | 198 Ų | 198 | 147 Ų | 147 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | trans | 51.8 | 133.9 | 145.1 | -76.1 | 174 | -99.3 | 0 | 0 | 123.2 | | |
| 747 | G | 32.9 | Very low | 36.6 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | -161.1 | 125.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 748 | K | 38.8 | Very low | 37.9 | Very low | 222 Ų | 222 | 152.5 Ų | 152.5 | 97% | 0.965 | 79% | 0.79 | S | S | * | * | | | trans | -115.6 | 125.8 | 172.6 | -85.2 | 176 | 174.4 | 171 | 0 | 109.6 | | |
| 749 | G | 34.4 | Very low | 37.3 | Very low | 78 Ų | 78 | 155 Ų | 155 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -140.6 | 157.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 750 | R | 41.3 | Very low | 38.8 | Very low | 248 Ų | 248 | 158.9 Ų | 158.9 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | | | trans | -129.7 | 139.5 | -167.1 | -75.3 | -178.7 | 163.3 | -169.8 | -3.7 | 114.2 | | |
| 751 | S | 38.1 | Very low | 40 | Very low | 96 Ų | 96 | 155.1 Ų | 155.1 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | | 80.3 | 117.7 | 128.5 | 165.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 752 | R | 43.2 | Very low | 40.2 | Very low | 219 Ų | 219 | 155.1 Ų | 155.1 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | | 101.1 | 138 | 129.1 | -87.3 | 173.8 | -179.5 | -177.4 | -0.9 | 121.3 | | |
| 753 | R | 42.4 | Very low | 41.1 | Very low | 227 Ų | 227 | 152.7 Ų | 152.7 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | 73.6 | 144.2 | 160.1 | -69.8 | 179.5 | -177.8 | -156.7 | 0.6 | 116.1 | | |
| 754 | S | 42.6 | Very low | 42.4 | Very low | 96 Ų | 96 | 151 Ų | 151 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | cis | -176.1 | 152.5 | -14.2 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 755 | R | 42.2 | Very low | 43.9 | Very low | 228 Ų | 228 | 149.8 Ų | 149.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | 68.1 | 132.9 | 150.8 | -147.6 | 171 | -173.5 | -160.9 | 5.3 | 114 | | |
| 756 | N | 35.9 | Very low | 44.4 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | | | cis | -160.6 | 162.8 | 25.5 | -147.9 | 16.4 | 0 | 0 | 0 | 112.5 | | |
| 757 | K | 39.4 | Very low | 45.4 | Very low | 160 Ų | 160 | 147 Ų | 147 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | 64.7 | 112.9 | 139.9 | -166.7 | 169.4 | -179.9 | -175.3 | 0 | 120.7 | | |
| 758 | Q | 50.5 | Low | 46.8 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | | | trans | 71.6 | 98.5 | 138.6 | -172.1 | 179.1 | -18 | 0 | 0 | 119.1 | | |
| 759 | E | 37.8 | Very low | 47.6 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | | -160.2 | 166.4 | 107.3 | -123.4 | 173.1 | 97.6 | 0 | 0 | 113.2 | | |
| 760 | K | 59.3 | Low | 48.7 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | | | trans | -128.1 | 156.6 | 159.4 | -82.1 | -175.8 | 175.8 | -176.1 | 0 | 105.3 | | |
| 761 | P | 53.2 | Low | 49.4 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | | | cis | -129.3 | 165.5 | 6 | 40.1 | -26 | 0 | 0 | 0 | 114.5 | | |
| 762 | A | 44.8 | Very low | 50 | Low | 98 Ų | 98 | 145.4 Ų | 145.4 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | | | trans | -158.6 | 118.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 763 | S | 49.7 | Very low | 50.3 | Low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | -67 | 130.1 | 155.7 | 41.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 764 | S | 53 | Low | 50.7 | Low | 84 Ų | 84 | 137.4 Ų | 137.4 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | | | trans | -66.4 | 146.1 | -174 | 42.9 | 0 | 0 | 0 | 0 | 112.3 | D766 D767 | S764-D766 PolarHBondContact O-N 3.32Å; S764-D767 WeakPolarHBondContact O-CB 3.44Å; S764-D767 PolarHBondContact O-N 3.21Å |
| 765 | L | 61.5 | Low | 50.9 | Low | 137 Ų | 137 | 140 Ų | 140 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -51.3 | -27.8 | 180 | -161 | 81.3 | 0 | 0 | 0 | 114.1 | D767 V768 | L765-D767 PolarHBondContact O-N 2.87Å; L765-V768 WeakPolarHBondContact O-CB 3.12Å; L765-V768 WeakPolarHBondContact O-CG2 3.45Å; L765-V768 PolarHBondContact O-N 3.22Å; L765-V768 VanDerWaalsContact O-N 3.1Å |
| 766 | D | 56.5 | Low | 51.4 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -52.1 | -34.2 | 172.9 | -96 | -134.3 | 0 | 0 | 0 | 113.9 | S764 V768 F769 L770 | S764-D766 PolarHBondContact O-N 3.32Å; D766-V768 PolarHBondContact O-N 2.9Å; D766-V768 VanDerWaalsContact O-N 3.09Å; D766-F769 PolarHBondContact O-N 3.4Å; D766-L770 PolarHBondContact O-N 2.8Å |
| 767 | D | 56.1 | Low | 52.3 | Low | 110 Ų | 110 | 131.7 Ų | 131.7 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -73 | -0 | -178 | -146.9 | 24.1 | 0 | 0 | 0 | 112.7 | S764 L765 | S764-D767 WeakPolarHBondContact O-CB 3.44Å; S764-D767 PolarHBondContact O-N 3.21Å; L765-D767 PolarHBondContact O-N 2.87Å |
| 768 | V | 62.4 | Low | 53.4 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -96.4 | -18.6 | 171.9 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | L765 D766 | L765-V768 WeakPolarHBondContact O-CB 3.12Å; L765-V768 WeakPolarHBondContact O-CG2 3.45Å; L765-V768 PolarHBondContact O-N 3.22Å; L765-V768 VanDerWaalsContact O-N 3.1Å; D766-V768 PolarHBondContact O-N 2.9Å; D766-V768 VanDerWaalsContact O-N 3.09Å |
| 769 | F | 54.4 | Low | 54.6 | Low | 173 Ų | 173 | 127.7 Ų | 127.7 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -7.6 | -178.8 | -73.4 | -76.2 | 0 | 0 | 0 | 114.4 | D766 | D766-F769 PolarHBondContact O-N 3.4Š|
| 770 | L | 58.8 | Low | 56.7 | Low | 113 Ų | 113 | 123 Ų | 123 | 59% | 0.592 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -62.4 | 127.6 | 155.2 | -72.8 | 170.5 | 0 | 0 | 0 | 108.2 | D766 K772 | D766-L770 PolarHBondContact O-N 2.8Å; L770-K772 PolarHBondContact O-N 3.29Å |
| 771 | P | 55.3 | Low | 57.9 | Low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | | | trans | -52.2 | 131.3 | 170.2 | -24.7 | 34.4 | 0 | 0 | 0 | 108.8 | D773 | P771-D773 PolarHBondContact O-N 2.86Š|
| 772 | K | 52.1 | Low | 59.6 | Low | 188 Ų | 188 | 118.6 Ų | 118.6 | 82% | 0.817 | 67% | 0.665 | S | S | * | * | | | trans | -60.1 | 112.3 | 176.1 | -165.1 | 70.9 | 172.7 | 179.9 | 0 | 107.4 | L770 M774 | L770-K772 PolarHBondContact O-N 3.29Å; K772-M774 PolarHBondContact O-N 2.87Å |
| 773 | D | 48.8 | Very low | 61.9 | Low | 138 Ų | 138 | 117 Ų | 117 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | | | trans | -62.3 | 91.8 | 173.5 | -74.9 | -50.5 | 0 | 0 | 0 | 108.3 | P771 D775 | P771-D773 PolarHBondContact O-N 2.86Å; D773-D775 PolarHBondContact O-N 3.47Å |
| 774 | M | 50.8 | Low | 64 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 70% | 0.695 | 62% | 0.621 | S | S | * | * | | | trans | -77.9 | 63.3 | 171.2 | -81.5 | -115.9 | 55.2 | 0 | 0 | 108.1 | K772 G776 V777 | K772-M774 PolarHBondContact O-N 2.87Å; M774-G776 PolarHBondContact O-N 3.13Å; M774-G776 VanDerWaalsContact O-N 3.12Å; M774-V777 HydrophobicContact CE-CG2 4.46Å |
| 775 | D | 45.7 | Very low | 65.9 | Low | 151 Ų | 151 | 117.9 Ų | 117.9 | 81% | 0.807 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | 116.3 | 172.2 | -83.7 | -47.9 | 0 | 0 | 0 | 109.6 | D773 | D773-D775 PolarHBondContact O-N 3.47Š|
| 776 | G | 53 | Low | 67.4 | Low | 74 Ų | 74 | 114.1 Ų | 114.1 | 76% | 0.763 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.6 | 43.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | M774 E778 | M774-G776 PolarHBondContact O-N 3.13Å; M774-G776 VanDerWaalsContact O-N 3.12Å; G776-E778 PolarHBondContact O-N 2.72Å |
| 777 | V | 56.2 | Low | 69.1 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | | | trans | -66.8 | 88.3 | 133.5 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | M774 M779 | M774-V777 HydrophobicContact CE-CG2 4.46Å; V777-M779 PolarHBondContact O-N 2.94Å |
| 778 | E | 62 | Low | 70.8 | Confident | 149 Ų | 149 | 114.4 Ų | 114.4 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | | | trans | -62.2 | 104.8 | 165.8 | -178.5 | 177.2 | 178.3 | 0 | 0 | 106.8 | G776 D780 R784 | G776-E778 PolarHBondContact O-N 2.72Å; E778-D780 PolarHBondContact O-N 3.37Å; E778-R784 IonicContact OE1-NH2 3.66Å; E778-R784 PolarHBondContact OE1-NH2 3.32Å |
| 779 | M | 75.4 | Confident | 72.2 | Confident | 79 Ų | 79 | 115.7 Ų | 115.7 | 39% | 0.389 | 59% | 0.591 | S | S | . | * | | | trans | -49.7 | 113.9 | 166.5 | -68.1 | -73.1 | -69.5 | 0 | 0 | 106.9 | V777 D783 R784 | V777-M779 PolarHBondContact O-N 2.94Å; M779-D783 HydrophobicContact CE-CB 4Å; M779-D783 WeakPolarHBondContact CE-OD2 3.36Å; M779-R784 PolarHBondContact O-NE 3.05Å; M779-R784 PolarHBondContact O-NH2 3.02Å |
| 780 | D | 81.9 | Confident | 73.8 | Confident | 83 Ų | 83 | 112.8 Ų | 112.8 | 44% | 0.444 | 58% | 0.578 | S | S | . | * | | | trans | -62.9 | 163 | -173.7 | 70.7 | -99.8 | 0 | 0 | 0 | 110.6 | E778 T782 D783 R784 | E778-D780 PolarHBondContact O-N 3.37Å; D780-T782 PolarHBondContact O-N 2.74Å; D780-T782 VanDerWaalsContact O-N 3.12Å; D780-T782 VanDerWaalsContact OD2-CA 3.31Å; D780-T782 WeakPolarHBondContact OD2-CA 3.32Å; D780-T782 WeakPolarHBondContact OD2-CB 3.08Å; D780-T782 PolarHBondContact OD2-N 3.4Å; D780-T782 PolarHBondContact OD2-OG1 3.48Å; D780-D783 PolarHBondContact O-N 2.89Å; D780-D783 VanDerWaalsContact O-N 3.08Å; D780-D783 PolarHBondContact OD2-N 2.82Å; D780-D783 VanDerWaalsContact OD2-N 3.11Å; D780-R784 WeakPolarHBondContact O-CB 3.42Å; D780-R784 PolarHBondContact O-N 2.88Å |
| 781 | E | 85.3 | Confident | 75.4 | Confident | 125 Ų | 125 | 114.7 Ų | 114.7 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58 | -32.6 | -173.8 | -155.1 | 69.6 | -105.3 | 0 | 0 | 112 | R784 E785 | E781-R784 WeakPolarHBondContact OE1-CD 3.09Å; E781-R784 IonicContact OE1-CZ 2.65Å; E781-R784 IonicContact OE1-NE 2.61Å; E781-R784 IonicContact OE1-NH1 3.84Å; E781-R784 PolarHBondContact OE1-NH1 3.43Å; E781-R784 IonicContact OE2-CZ 2.91Å; E781-R784 IonicContact OE2-NH1 3.68Å; E781-R784 PolarHBondContact OE2-NH1 3.24Å; E781-E785 WeakPolarHBondContact O-CB 3.49Å; E781-E785 PolarHBondContact O-N 2.68Å |
| 782 | T | 88.1 | Confident | 77 | Confident | 95 Ų | 95 | 116.2 Ų | 116.2 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.5 | -51.6 | 174.5 | -14 | 0 | 0 | 0 | 0 | 111.2 | D780 R784 E785 V786 | D780-T782 PolarHBondContact O-N 2.74Å; D780-T782 VanDerWaalsContact O-N 3.12Å; D780-T782 VanDerWaalsContact OD2-CA 3.31Å; D780-T782 WeakPolarHBondContact OD2-CA 3.32Å; D780-T782 WeakPolarHBondContact OD2-CB 3.08Å; D780-T782 PolarHBondContact OD2-N 3.4Å; D780-T782 PolarHBondContact OD2-OG1 3.48Å; T782-R784 VanDerWaalsContact C-N 3.26Å; T782-R784 PolarHBondContact O-N 2.86Å; T782-E785 PolarHBondContact O-N 2.96Å; T782-V786 VanDerWaalsContact O-CB 3.27Å; T782-V786 WeakPolarHBondContact O-CB 3.42Å; T782-V786 WeakPolarHBondContact O-CG2 3.09Å; T782-V786 PolarHBondContact O-N 3.25Å |
| 783 | D | 92.2 | Very high | 78.7 | Confident | 64 Ų | 64 | 110 Ų | 110 | 34% | 0.342 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.9 | -27.9 | -175.6 | -147.2 | 30.4 | 0 | 0 | 0 | 111.7 | M779 D780 E787 | M779-D783 HydrophobicContact CE-CB 4Å; M779-D783 WeakPolarHBondContact CE-OD2 3.36Å; D780-D783 PolarHBondContact O-N 2.89Å; D780-D783 VanDerWaalsContact O-N 3.08Å; D780-D783 PolarHBondContact OD2-N 2.82Å; D780-D783 VanDerWaalsContact OD2-N 3.11Å; D783-E787 PolarHBondContact O-N 3.34Å |
| 784 | R | 93.8 | Very high | 80.3 | Confident | 68 Ų | 68 | 108.5 Ų | 108.5 | 26% | 0.257 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.5 | -45.8 | 170 | -165.5 | -171.9 | -51.5 | 155.6 | -2.5 | 112.4 | E778 M779 D780 E781 T782 V786 E787 Y788 | E778-R784 IonicContact OE1-NH2 3.66Å; E778-R784 PolarHBondContact OE1-NH2 3.32Å; M779-R784 PolarHBondContact O-NE 3.05Å; M779-R784 PolarHBondContact O-NH2 3.02Å; D780-R784 WeakPolarHBondContact O-CB 3.42Å; D780-R784 PolarHBondContact O-N 2.88Å; E781-R784 WeakPolarHBondContact OE1-CD 3.09Å; E781-R784 IonicContact OE1-CZ 2.65Å; E781-R784 IonicContact OE1-NE 2.61Å; E781-R784 IonicContact OE1-NH1 3.84Å; E781-R784 PolarHBondContact OE1-NH1 3.43Å; E781-R784 IonicContact OE2-CZ 2.91Å; E781-R784 IonicContact OE2-NH1 3.68Å; E781-R784 PolarHBondContact OE2-NH1 3.24Å; T782-R784 VanDerWaalsContact C-N 3.26Å; T782-R784 PolarHBondContact O-N 2.86Å; R784-V786 VanDerWaalsContact C-N 3.32Å; R784-E787 PolarHBondContact O-N 3.43Å; R784-Y788 HydrophobicContact CG-CD2 4.35Å; R784-Y788 HydrophobicContact CG-CE2 4.12Å; R784-Y788 VanDerWaalsContact O-CD2 3.25Å; R784-Y788 WeakPolarHBondContact O-CD2 3.26Å; R784-Y788 PolarHBondContact O-N 3.5Å |
| 785 | E | 92.9 | Very high | 81.4 | Confident | 139 Ų | 139 | 106 Ų | 106 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.1 | -37.5 | 174.5 | -174.1 | 167.5 | -124.2 | 0 | 0 | 111.2 | E781 T782 Y788 F789 | E781-E785 WeakPolarHBondContact O-CB 3.49Å; E781-E785 PolarHBondContact O-N 2.68Å; T782-E785 PolarHBondContact O-N 2.96Å; E785-Y788 PolarHBondContact O-N 2.05Å; E785-F789 WeakPolarHBondContact O-CB 3.2Å; E785-F789 PolarHBondContact O-N 3.2Å |
| 786 | V | 93.4 | Very high | 82.5 | Confident | 57 Ų | 57 | 101.6 Ų | 101.6 | 35% | 0.345 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 170.4 | 164.1 | 0 | 0 | 0 | 0 | 111.5 | T782 R784 F789 K790 | T782-V786 VanDerWaalsContact O-CB 3.27Å; T782-V786 WeakPolarHBondContact O-CB 3.42Å; T782-V786 WeakPolarHBondContact O-CG2 3.09Å; T782-V786 PolarHBondContact O-N 3.25Å; R784-V786 VanDerWaalsContact C-N 3.32Å; V786-F789 PolarHBondContact O-N 3Å; V786-K790 HydrophobicContact CG1-CD 3.97Å; V786-K790 VanDerWaalsContact CG1-NZ 3.28Å; V786-K790 WeakPolarHBondContact O-CB 3.36Å; V786-K790 WeakPolarHBondContact O-CD 3.2Å; V786-K790 WeakPolarHBondContact O-CG 3.37Å; V786-K790 PolarHBondContact O-N 3.23Å |
| 787 | E | 92.9 | Very high | 82.9 | Confident | 78 Ų | 78 | 102.1 Ų | 102.1 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 173.8 | -146.6 | -144.8 | 121.2 | 0 | 0 | 112.4 | D783 R784 F789 K790 R791 | D783-E787 PolarHBondContact O-N 3.34Å; R784-E787 PolarHBondContact O-N 3.43Å; E787-F789 VanDerWaalsContact C-N 3.33Å; E787-F789 PolarHBondContact O-N 3.09Å; E787-K790 PolarHBondContact O-N 2.82Å; E787-R791 WeakPolarHBondContact O-CB 3.19Å; E787-R791 PolarHBondContact O-N 3.25Å; E787-R791 IonicContact OE1-CZ 3.87Å; E787-R791 IonicContact OE1-NH1 2.82Å; E787-R791 PolarHBondContact OE1-NH1 2.85Å |
| 788 | Y | 90.9 | Very high | 83.2 | Confident | 167 Ų | 167 | 103.7 Ų | 103.7 | 66% | 0.655 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.3 | -42.8 | 170.9 | -83.8 | -63.2 | 0 | 0 | 0 | 111.9 | R784 E785 R791 F792 | R784-Y788 HydrophobicContact CG-CD2 4.35Å; R784-Y788 HydrophobicContact CG-CE2 4.12Å; R784-Y788 VanDerWaalsContact O-CD2 3.25Å; R784-Y788 WeakPolarHBondContact O-CD2 3.26Å; R784-Y788 PolarHBondContact O-N 3.5Å; E785-Y788 PolarHBondContact O-N 2.05Å; Y788-R791 PolarHBondContact O-N 3.25Å; Y788-F792 WeakPolarHBondContact O-CB 3.33Å; Y788-F792 PolarHBondContact O-N 3.29Å |
| 789 | F | 91.7 | Very high | 83 | Confident | 137 Ų | 137 | 104.2 Ų | 104.2 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -46.7 | 175.2 | -177.8 | -101.5 | 0 | 0 | 0 | 112 | E785 V786 E787 R791 F792 C793 | E785-F789 WeakPolarHBondContact O-CB 3.2Å; E785-F789 PolarHBondContact O-N 3.2Å; V786-F789 PolarHBondContact O-N 3Å; E787-F789 VanDerWaalsContact C-N 3.33Å; E787-F789 PolarHBondContact O-N 3.09Å; F789-R791 VanDerWaalsContact C-N 3.32Å; F789-R791 PolarHBondContact O-N 3.02Å; F789-F792 PolarHBondContact O-N 2.97Å; F789-C793 PolarHBondContact O-N 3.1Å; F789-C793 PolarHBondContact O-SG 2.98Å |
| 790 | K | 89.9 | Confident | 82.2 | Confident | 112 Ų | 112 | 107.1 Ų | 107.1 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -54.5 | -46.4 | 173.6 | -73.3 | 161.3 | -178.8 | 163.9 | 0 | 110.9 | V786 E787 L794 | V786-K790 HydrophobicContact CG1-CD 3.97Å; V786-K790 VanDerWaalsContact CG1-NZ 3.28Å; V786-K790 WeakPolarHBondContact O-CB 3.36Å; V786-K790 WeakPolarHBondContact O-CD 3.2Å; V786-K790 WeakPolarHBondContact O-CG 3.37Å; V786-K790 PolarHBondContact O-N 3.23Å; E787-K790 PolarHBondContact O-N 2.82Å; K790-L794 WeakPolarHBondContact O-CB 3.5Å; K790-L794 VanDerWaalsContact O-CG 3.26Å; K790-L794 WeakPolarHBondContact O-CG 3.46Å; K790-L794 PolarHBondContact O-N 2.69Å; K790-L794 VanDerWaalsContact O-N 3.07Å |
| 791 | R | 91.9 | Very high | 81.2 | Confident | 153 Ų | 153 | 114.2 Ų | 114.2 | 58% | 0.577 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.8 | -45 | 175.7 | -95.4 | 171 | 146.2 | 101.6 | -1.6 | 112.7 | E787 Y788 F789 C793 L794 D795 | E787-R791 WeakPolarHBondContact O-CB 3.19Å; E787-R791 PolarHBondContact O-N 3.25Å; E787-R791 IonicContact OE1-CZ 3.87Å; E787-R791 IonicContact OE1-NH1 2.82Å; E787-R791 PolarHBondContact OE1-NH1 2.85Å; Y788-R791 PolarHBondContact O-N 3.25Å; F789-R791 VanDerWaalsContact C-N 3.32Å; F789-R791 PolarHBondContact O-N 3.02Å; R791-C793 PolarHBondContact O-N 3.03Å; R791-L794 PolarHBondContact O-N 3.19Å; R791-D795 PolarHBondContact O-N 3.15Å |
| 792 | F | 88.5 | Confident | 80 | Confident | 138 Ų | 138 | 116.7 Ų | 116.7 | 61% | 0.605 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.8 | -44.2 | 177.3 | 175.1 | -98.5 | 0 | 0 | 0 | 112.3 | Y788 F789 S796 | Y788-F792 WeakPolarHBondContact O-CB 3.33Å; Y788-F792 PolarHBondContact O-N 3.29Å; F789-F792 PolarHBondContact O-N 2.97Å; F792-S796 VanDerWaalsContact O-CB 3.24Å; F792-S796 WeakPolarHBondContact O-CB 3.41Å; F792-S796 PolarHBondContact O-N 3.06Å; F792-S796 PolarHBondContact O-OG 2.8Å |
| 793 | C | 86.8 | Confident | 78.9 | Confident | 56 Ų | 56 | 121.6 Ų | 121.6 | 38% | 0.378 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.9 | -44.8 | 174.7 | -69.6 | 0 | 0 | 0 | 0 | 112 | F789 R791 D795 S796 A797 | F789-C793 PolarHBondContact O-N 3.1Å; F789-C793 PolarHBondContact O-SG 2.98Å; R791-C793 PolarHBondContact O-N 3.03Å; C793-D795 PolarHBondContact O-N 3.3Å; C793-S796 PolarHBondContact O-N 2.85Å; C793-A797 PolarHBondContact O-N 3.02Å |
| 794 | L | 83.8 | Confident | 77.5 | Confident | 107 Ų | 107 | 124.3 Ų | 124.3 | 56% | 0.56 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -36.1 | 179.5 | -74.6 | 169.5 | 0 | 0 | 0 | 113.2 | K790 R791 K798 | K790-L794 WeakPolarHBondContact O-CB 3.5Å; K790-L794 VanDerWaalsContact O-CG 3.26Å; K790-L794 WeakPolarHBondContact O-CG 3.46Å; K790-L794 PolarHBondContact O-N 2.69Å; K790-L794 VanDerWaalsContact O-N 3.07Å; R791-L794 PolarHBondContact O-N 3.19Å; L794-K798 WeakPolarHBondContact O-CD 3.49Å; L794-K798 VanDerWaalsContact O-CE 3.22Å; L794-K798 WeakPolarHBondContact O-CE 3.47Å; L794-K798 WeakPolarHBondContact O-CG 3.11Å |
| 795 | D | 72.6 | Confident | 75.9 | Confident | 89 Ų | 89 | 125.5 Ų | 125.5 | 48% | 0.476 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -81.5 | -31.1 | 176.9 | -73.8 | -18 | 0 | 0 | 0 | 112.6 | R791 C793 A797 K798 Q799 | R791-D795 PolarHBondContact O-N 3.15Å; C793-D795 PolarHBondContact O-N 3.3Å; D795-A797 VanDerWaalsContact C-N 3.29Å; D795-A797 PolarHBondContact O-N 2.96Å; D795-K798 PolarHBondContact O-N 3.12Å; D795-K798 VanDerWaalsContact O-N 3.12Å; D795-K798 WeakPolarHBondContact OD1-CD 3.4Å; D795-K798 WeakPolarHBondContact OD1-CE 3.48Å; D795-K798 IonicContact OD1-NZ 3.52Å; D795-K798 PolarHBondContact OD1-NZ 3.4Å; D795-Q799 PolarHBondContact O-N 2.92Å |
| 796 | S | 69.4 | Low | 74.5 | Confident | 58 Ų | 58 | 122.8 Ų | 122.8 | 41% | 0.406 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.3 | -39.5 | 168.9 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | F792 C793 K798 Q799 | F792-S796 VanDerWaalsContact O-CB 3.24Å; F792-S796 WeakPolarHBondContact O-CB 3.41Å; F792-S796 PolarHBondContact O-N 3.06Å; F792-S796 PolarHBondContact O-OG 2.8Å; C793-S796 PolarHBondContact O-N 2.85Å; S796-K798 VanDerWaalsContact C-N 3.26Å; S796-K798 PolarHBondContact O-N 2.87Å; S796-Q799 PolarHBondContact O-N 3.41Å |
| 797 | A | 61.6 | Low | 72.6 | Confident | 86 Ų | 86 | 124.5 Ų | 124.5 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -21.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C793 D795 | C793-A797 PolarHBondContact O-N 3.02Å; D795-A797 VanDerWaalsContact C-N 3.29Å; D795-A797 PolarHBondContact O-N 2.96Å |
| 798 | K | 61.5 | Low | 71.3 | Confident | 138 Ų | 138 | 130.4 Ų | 130.4 | 60% | 0.6 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -17.7 | 177.2 | -66.8 | 164.7 | -157.2 | 161.3 | 0 | 113.1 | L794 D795 S796 T800 | L794-K798 WeakPolarHBondContact O-CD 3.49Å; L794-K798 VanDerWaalsContact O-CE 3.22Å; L794-K798 WeakPolarHBondContact O-CE 3.47Å; L794-K798 WeakPolarHBondContact O-CG 3.11Å; D795-K798 PolarHBondContact O-N 3.12Å; D795-K798 VanDerWaalsContact O-N 3.12Å; D795-K798 WeakPolarHBondContact OD1-CD 3.4Å; D795-K798 WeakPolarHBondContact OD1-CE 3.48Å; D795-K798 IonicContact OD1-NZ 3.52Å; D795-K798 PolarHBondContact OD1-NZ 3.4Å; S796-K798 VanDerWaalsContact C-N 3.26Å; S796-K798 PolarHBondContact O-N 2.87Å; K798-T800 PolarHBondContact O-N 3.4Å |
| 799 | Q | 59.4 | Low | 70 | Confident | 159 Ų | 159 | 127.5 Ų | 127.5 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -66.7 | 110.3 | 171 | -70.1 | -161 | 4.7 | 0 | 0 | 109.6 | D795 S796 R801 | D795-Q799 PolarHBondContact O-N 2.92Å; S796-Q799 PolarHBondContact O-N 3.41Å; Q799-R801 PolarHBondContact O-N 3.19Å |
| 800 | T | 58 | Low | 68.2 | Low | 140 Ų | 140 | 126.9 Ų | 126.9 | 86% | 0.859 | 65% | 0.645 | S | S | * | * | | | trans | -65.8 | 87.2 | 169.8 | -66.7 | 0 | 0 | 0 | 0 | 108.7 | K798 Q802 | K798-T800 PolarHBondContact O-N 3.4Å; T800-Q802 PolarHBondContact O-N 3.47Å |
| 801 | R | 61.5 | Low | 66.4 | Low | 233 Ų | 233 | 128.4 Ų | 128.4 | 88% | 0.879 | 65% | 0.652 | S | S | * | * | | | trans | -59.7 | 111.7 | -178.8 | -160.1 | 177.2 | -160.4 | -95.2 | 4.8 | 108.5 | Q799 K803 | Q799-R801 PolarHBondContact O-N 3.19Å; R801-K803 PolarHBondContact O-N 2.86Å |
| 802 | Q | 60.1 | Low | 64.3 | Low | 177 Ų | 177 | 125.7 Ų | 125.7 | 83% | 0.827 | 66% | 0.656 | S | S | * | * | | | trans | -56.8 | 116 | -174.4 | -161.3 | 177 | 24.5 | 0 | 0 | 109.2 | T800 V804 | T800-Q802 PolarHBondContact O-N 3.47Å; Q802-V804 VanDerWaalsContact C-N 3.33Å; Q802-V804 PolarHBondContact O-N 2.79Å |
| 803 | K | 64.6 | Low | 62.6 | Low | 198 Ų | 198 | 127 Ų | 127 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | | | trans | -75.8 | 82.3 | -166.9 | -172.1 | 174.9 | 179.2 | 173.6 | 0 | 111.3 | R801 A805 | R801-K803 PolarHBondContact O-N 2.86Å; K803-A805 PolarHBondContact O-N 3.5Å |
| 804 | V | 61.8 | Low | 60.7 | Low | 120 Ų | 120 | 133.6 Ų | 133.6 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | | | trans | -61.8 | 105.7 | 171.1 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | Q802 V806 | Q802-V804 VanDerWaalsContact C-N 3.33Å; Q802-V804 PolarHBondContact O-N 2.79Å; V804-V806 HydrophobicContact CG1-CG2 4.28Å; V804-V806 PolarHBondContact O-N 3.25Å |
| 805 | A | 59.9 | Low | 58.9 | Low | 94 Ų | 94 | 138.2 Ų | 138.2 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | | | trans | -78.4 | 88.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | K803 N807 | K803-A805 PolarHBondContact O-N 3.5Å; A805-N807 PolarHBondContact O-N 3.26Å |
| 806 | V | 63.4 | Low | 57.6 | Low | 82 Ų | 82 | 140.5 Ų | 140.5 | 50% | 0.497 | 72% | 0.724 | S | S | . | * | | | trans | -70 | 115.7 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | V804 W808 F811 | V804-V806 HydrophobicContact CG1-CG2 4.28Å; V804-V806 PolarHBondContact O-N 3.25Å; V806-W808 PolarHBondContact O-N 2.91Å; V806-F811 HydrophobicContact CG1-CE2 4.26Å |
| 807 | N | 55.5 | Low | 56.3 | Low | 93 Ų | 93 | 143.4 Ų | 143.4 | 50% | 0.497 | 74% | 0.74 | S | S | . | * | | | trans | -82 | 103.9 | 175.1 | -177.9 | 8 | 0 | 0 | 0 | 111 | A805 T809 N810 | A805-N807 PolarHBondContact O-N 3.26Å; N807-T809 PolarHBondContact ND2-OG1 3.36Å; N807-T809 PolarHBondContact O-N 2.77Å; N807-T809 VanDerWaalsContact O-N 3.16Å; N807-T809 PolarHBondContact OD1-N 2.79Å; N807-T809 VanDerWaalsContact OD1-N 3.12Å; N807-T809 PolarHBondContact OD1-OG1 3.12Å; N807-T809 VanDerWaalsContact OD1-OG1 3.11Å; N807-N810 PolarHBondContact O-N 3.43Å; N807-N810 PolarHBondContact O-ND2 3.31Å |
| 808 | W | 64.8 | Low | 55.5 | Low | 202 Ų | 202 | 145.2 Ų | 145.2 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -59.1 | -20.7 | -179.7 | -66.8 | 91.2 | 0 | 0 | 0 | 115 | V806 N810 F811 | V806-W808 PolarHBondContact O-N 2.91Å; W808-N810 PolarHBondContact O-N 3.16Å; W808-F811 PolarHBondContact O-N 3.42Å |
| 809 | T | 64.3 | Low | 54.3 | Low | 105 Ų | 105 | 144.4 Ų | 144.4 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -64.2 | -14.8 | -179.4 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | N807 | N807-T809 PolarHBondContact ND2-OG1 3.36Å; N807-T809 PolarHBondContact O-N 2.77Å; N807-T809 VanDerWaalsContact O-N 3.16Å; N807-T809 PolarHBondContact OD1-N 2.79Å; N807-T809 VanDerWaalsContact OD1-N 3.12Å; N807-T809 PolarHBondContact OD1-OG1 3.12Å; N807-T809 VanDerWaalsContact OD1-OG1 3.11Å |
| 810 | N | 53.3 | Low | 53.6 | Low | 124 Ų | 124 | 143 Ų | 143 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -77 | -20.6 | 175.6 | -62 | -75.6 | 0 | 0 | 0 | 113 | N807 W808 S812 | N807-N810 PolarHBondContact O-N 3.43Å; N807-N810 PolarHBondContact O-ND2 3.31Å; W808-N810 PolarHBondContact O-N 3.16Å; N810-S812 PolarHBondContact O-N 2.97Å |
| 811 | F | 51.6 | Low | 53 | Low | 144 Ų | 144 | 140.6 Ų | 140.6 | 63% | 0.632 | 75% | 0.752 | S | S | * | * | | | trans | -85.7 | 56.2 | -178.5 | -72.6 | -81 | 0 | 0 | 0 | 112.7 | V806 W808 L813 | V806-F811 HydrophobicContact CG1-CE2 4.26Å; W808-F811 PolarHBondContact O-N 3.42Å; F811-L813 PolarHBondContact O-N 3.11Å |
| 812 | S | 47.6 | Very low | 51.9 | Low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | trans | -73.1 | 87.5 | 168.9 | -71.3 | 0 | 0 | 0 | 0 | 110.6 | N810 K814 | N810-S812 PolarHBondContact O-N 2.97Å; S812-K814 PolarHBondContact O-N 3.33Å |
| 813 | L | 53.5 | Low | 51.5 | Low | 165 Ų | 165 | 140.4 Ų | 140.4 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -62.2 | 100.3 | 173.9 | -73.3 | 172.4 | 0 | 0 | 0 | 110.8 | F811 K815 | F811-L813 PolarHBondContact O-N 3.11Å; L813-K815 PolarHBondContact O-N 3.1Å; L813-K815 VanDerWaalsContact O-N 3.13Å |
| 814 | K | 46 | Very low | 50.8 | Low | 195 Ų | 195 | 137.4 Ų | 137.4 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | | | trans | -67 | 107.4 | 174.4 | -60.3 | 178.2 | -174.8 | 176.9 | 0 | 108.9 | S812 T816 | S812-K814 PolarHBondContact O-N 3.33Å; K814-T816 PolarHBondContact O-N 3.38Å; K814-T816 VanDerWaalsContact O-N 3.09Å |
| 815 | K | 47.6 | Very low | 50.2 | Low | 204 Ų | 204 | 138.3 Ų | 138.3 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | | | trans | -66.9 | 104.5 | 171.5 | -87.6 | -172.2 | 172.5 | -177.7 | 0 | 110.1 | L813 T817 | L813-K815 PolarHBondContact O-N 3.1Å; L813-K815 VanDerWaalsContact O-N 3.13Å; K815-T817 PolarHBondContact O-N 3.49Å |
| 816 | T | 43.4 | Very low | 49.6 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | trans | -74.3 | 115.3 | 163.8 | -45.8 | 0 | 0 | 0 | 0 | 108.8 | K814 | K814-T816 PolarHBondContact O-N 3.38Å; K814-T816 VanDerWaalsContact O-N 3.09Å |
| 817 | T | 43 | Very low | 48.8 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | trans | -72.8 | 136 | 169.7 | 41.3 | 0 | 0 | 0 | 0 | 110.2 | K815 S819 | K815-T817 PolarHBondContact O-N 3.49Å; T817-S819 PolarHBondContact O-N 3.38Å |
| 818 | P | 44.2 | Very low | 48.3 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -67 | 129.3 | 174.3 | 28.6 | -33.5 | 0 | 0 | 0 | 110 | T820 | P818-T820 PolarHBondContact O-N 3.4Š|
| 819 | S | 36.1 | Very low | 47.2 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -85.6 | 105.6 | 171.3 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | T817 A821 | T817-S819 PolarHBondContact O-N 3.38Å; S819-A821 PolarHBondContact O-N 3.37Å |
| 820 | T | 45.7 | Very low | 45.8 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | -70.9 | 116.9 | 164.8 | -57.7 | 0 | 0 | 0 | 0 | 108.3 | P818 | P818-T820 PolarHBondContact O-N 3.4Š|
| 821 | A | 46.3 | Very low | 45.2 | Very low | 90 Ų | 90 | 149.2 Ų | 149.2 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | | | trans | -90.4 | 143.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S819 | S819-A821 PolarHBondContact O-N 3.37Š|
| 822 | Q | 37.8 | Very low | 44.7 | Very low | 266 Ų | 266 | 149.6 Ų | 149.6 | 100% | 1.243 | 84% | 0.843 | S | S | * | * | | | trans | -101.9 | 0 | 161 | -73.4 | -167.9 | -110.6 | 0 | 0 | 109.1 | | |