| 1 | M | 34.2 | Very low | 38.3 | Very low | 242 Ų | 242 | 150.1 Ų | 150.1 | 100% | 1.192 | 82% | 0.818 | S | S | * | * | | | | 0 | 116 | 0 | -69.6 | 152.5 | 176.3 | 0 | 0 | 105.9 | | |
| 2 | D | 37.3 | Very low | 37.9 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | 12.1 | 136 | 170.6 | -74.3 | -121.4 | 0 | 0 | 0 | 123.8 | | |
| 3 | V | 39.1 | Very low | 37.7 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | 64.1 | 133.8 | 135.1 | 177.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 4 | G | 37.3 | Very low | 37.4 | Very low | 66 Ų | 66 | 151.1 Ų | 151.1 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | | | cis | 159.6 | -164.4 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 5 | A | 37.8 | Very low | 37.1 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | 77.3 | 120.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 6 | D | 39.7 | Very low | 37.2 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -152.8 | 174.1 | 165.2 | -164.3 | 31.5 | 0 | 0 | 0 | 103.6 | | |
| 7 | P | 60.6 | Low | 37.4 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 61% | 0.61 | 81% | 0.808 | S | S | * | * | | | cis | -126.7 | -166.7 | -15.1 | 42.4 | -27 | 0 | 0 | 0 | 112.7 | | |
| 8 | S | 36.1 | Very low | 37.2 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | | -169.5 | 128 | 120.4 | -87.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 9 | R | 32.9 | Very low | 37 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -140 | 127.3 | 178.3 | 178.5 | -171.8 | -169.2 | -92 | 5.4 | 108.3 | | |
| 10 | W | 32.5 | Very low | 37 | Very low | 237 Ų | 237 | 145.6 Ų | 145.6 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -118.3 | 131.7 | -176.2 | -84.2 | 73 | 0 | 0 | 0 | 113.2 | | |
| 11 | M | 34.1 | Very low | 37 | Very low | 138 Ų | 138 | 147 Ų | 147 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | trans | -152.4 | 118.4 | 168.2 | -94.2 | -168.6 | 153.5 | 0 | 0 | 111.5 | | |
| 12 | H | 33.7 | Very low | 37.8 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | | | trans | 63.4 | 126.1 | 135.2 | -73.2 | 108.9 | 0 | 0 | 0 | 124.7 | | |
| 13 | H | 34.8 | Very low | 37.9 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | 92.5 | 121.2 | 134.8 | -70.8 | -49.6 | 0 | 0 | 0 | 123.8 | | |
| 14 | H | 33.5 | Very low | 37.6 | Very low | 173 Ų | 173 | 139 Ų | 139 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | | | trans | 52.6 | 125.5 | 140.8 | -66.3 | -70.7 | 0 | 0 | 0 | 124.3 | | |
| 15 | A | 33.1 | Very low | 37.8 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | -158.4 | 173.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 16 | V | 38.9 | Very low | 37.8 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | trans | -135.2 | 148.7 | -175.6 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 17 | L | 39.8 | Very low | 38.4 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | | | trans | -158.2 | 179.5 | 159.4 | -111.1 | 168 | 0 | 0 | 0 | 112.5 | | |
| 18 | N | 35.1 | Very low | 37 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -143.8 | 154 | -147.4 | -179.1 | 58 | 0 | 0 | 0 | 116.6 | | |
| 19 | G | 33.1 | Very low | 37.1 | Very low | 59 Ų | 59 | 146.5 Ų | 146.5 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | | | trans | 92.8 | 162.8 | 165 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 20 | Q | 35.8 | Very low | 36.9 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | cis | -172.1 | 160.2 | -17.6 | -142.1 | 155.6 | -44 | 0 | 0 | 111.8 | | |
| 21 | H | 37.5 | Very low | 37.2 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | | | trans | 74.6 | 159.5 | 162.5 | -123.5 | -134.9 | 0 | 0 | 0 | 119.3 | | |
| 22 | P | 51.4 | Low | 37.1 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | | | cis | -136 | 175.6 | -39.4 | 36.1 | -18.8 | 0 | 0 | 0 | 116.8 | | |
| 23 | D | 38.5 | Very low | 37 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -93.8 | 159.4 | 168.5 | -66.1 | -88.9 | 0 | 0 | 0 | 115 | | |
| 24 | S | 34.3 | Very low | 37.1 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | 178.9 | 154.1 | 157.2 | -80.1 | 0 | 0 | 0 | 0 | 112 | | |
| 25 | H | 40.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | | | cis | -175.7 | 106.2 | -34.9 | -115.4 | -63.7 | 0 | 0 | 0 | 110.3 | | |
| 26 | H | 38.9 | Very low | 38.3 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | | | trans | 50.5 | -175.8 | 148.8 | -90 | -65.8 | 0 | 0 | 0 | 121.2 | | |
| 27 | P | 50.8 | Low | 38.1 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | cis | -132.8 | 169.3 | 3 | 42.1 | -25.4 | 0 | 0 | 0 | 119.4 | | |
| 28 | G | 32.6 | Very low | 37.8 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | | | trans | 105.3 | 166.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 29 | L | 37.3 | Very low | 38 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | cis | -171.2 | 143.3 | -24.7 | -125 | 176.3 | 0 | 0 | 0 | 112.9 | | |
| 30 | S | 29.5 | Very low | 38.2 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | 63.3 | 165.7 | 158.4 | 68.7 | 0 | 0 | 0 | 0 | 121 | | |
| 31 | H | 37.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | | -168.6 | 144 | -57.4 | -132.5 | -72.3 | 0 | 0 | 0 | 110.7 | | |
| 32 | N | 32.6 | Very low | 38.7 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | 68.1 | 160.2 | 166.3 | -51.6 | -32.7 | 0 | 0 | 0 | 115.8 | | |
| 33 | Y | 32.2 | Very low | 38.5 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | cis | -149.4 | -174 | 36.1 | -165.3 | -102 | 0 | 0 | 0 | 114 | | |
| 34 | M | 36.9 | Very low | 38.4 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | | | trans | -99.6 | 167.5 | -170.9 | -135.7 | 88.3 | 76.4 | 0 | 0 | 115.3 | | |
| 35 | E | 38.2 | Very low | 38.7 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -73.9 | -179.8 | 169.4 | -106.5 | -154.9 | 88.6 | 0 | 0 | 114.2 | | |
| 36 | P | 53.4 | Low | 38.8 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | -131.8 | -170.1 | 1.1 | 41.9 | -25.5 | 0 | 0 | 0 | 114.7 | | |
| 37 | T | 34.5 | Very low | 38.6 | Very low | 124 Ų | 124 | 142 Ų | 142 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | | 167.3 | 117.4 | 122.6 | -66.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 38 | A | 34 | Very low | 38.2 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | trans | 36.3 | 126.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 39 | Q | 37.8 | Very low | 38.4 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -153.6 | 97.6 | 136.7 | -122 | 170.1 | 67.3 | 0 | 0 | 113.8 | | |
| 40 | L | 38 | Very low | 38.3 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | 53.8 | 142.4 | 148.3 | -54.6 | 178.1 | 0 | 0 | 0 | 123.8 | | |
| 41 | L | 32.8 | Very low | 38.6 | Very low | 161 Ų | 161 | 151 Ų | 151 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -76.6 | -179.8 | 179.8 | -72.5 | 161.2 | 0 | 0 | 0 | 114.1 | | |
| 42 | P | 50 | Low | 38.7 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | cis | -129.7 | 179.2 | -0.5 | 28.9 | -6.7 | 0 | 0 | 0 | 115.6 | | |
| 43 | P | 47.6 | Very low | 38.9 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | | | trans | -111.3 | 119.9 | 174.8 | 36.5 | -24.3 | 0 | 0 | 0 | 115.2 | | |
| 44 | D | 37.2 | Very low | 39.1 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -123 | 148.5 | 147.9 | -79.7 | -72.9 | 0 | 0 | 0 | 105.4 | | |
| 45 | E | 40.9 | Very low | 38.9 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | cis | -133.7 | 114.5 | 20.6 | -58.2 | 166.4 | 164.2 | 0 | 0 | 110.2 | | |
| 46 | V | 41.2 | Very low | 38.9 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -147.2 | 58.8 | 174.4 | -76.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 47 | D | 36.3 | Very low | 37.9 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | -168.8 | 85.6 | 151.1 | -111.7 | -29.5 | 0 | 0 | 0 | 114.8 | | |
| 48 | V | 40.8 | Very low | 37.9 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -143.4 | 142.7 | 151.4 | -160.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 49 | F | 37.5 | Very low | 38.6 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 80.3 | 10.9 | 177.4 | -71.8 | -72.8 | 0 | 0 | 0 | 120.3 | N51 | F49-N51 PolarHBondContact O-N 3.18Š|
| 50 | F | 34.9 | Very low | 38.3 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -90.8 | 47.4 | 148.1 | -110.8 | -76.1 | 0 | 0 | 0 | 112 | | |
| 51 | N | 36.4 | Very low | 38.1 | Very low | 138 Ų | 138 | 149 Ų | 149 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | trans | -135 | 68 | -177.8 | -117.7 | -51.7 | 0 | 0 | 0 | 111.9 | F49 | F49-N51 PolarHBondContact O-N 3.18Š|
| 52 | H | 38.8 | Very low | 38.1 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -170.2 | 84.4 | 145.7 | -103.5 | -61 | 0 | 0 | 0 | 109.4 | | |
| 53 | L | 38 | Very low | 37.1 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -128.7 | 54 | 172.8 | -129.3 | 178.2 | 0 | 0 | 0 | 110.8 | | |
| 54 | D | 34.7 | Very low | 36.5 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -144.5 | 161.8 | 162 | -160.9 | -0.1 | 0 | 0 | 0 | 110.2 | | |
| 55 | S | 33.6 | Very low | 36.2 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | 85.6 | 68.4 | -172.2 | 68.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 56 | Q | 38.4 | Very low | 36 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | | 44.1 | 111 | 122.3 | -60.1 | -78.4 | -14.2 | 0 | 0 | 119.8 | | |
| 57 | G | 32.2 | Very low | 35.7 | Very low | 81 Ų | 81 | 144 Ų | 144 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | 108.6 | 147.8 | 137 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 58 | N | 34.7 | Very low | 35.6 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -140.7 | 154.5 | 171.6 | -156.2 | 22.5 | 0 | 0 | 0 | 104.2 | | |
| 59 | P | 48.6 | Very low | 35.2 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | cis | -154.5 | -175.2 | 33 | 43.2 | -20.2 | 0 | 0 | 0 | 119.9 | | |
| 60 | Y | 31.7 | Very low | 35.1 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | trans | 83 | 126.8 | 143.2 | -104.6 | -67.8 | 0 | 0 | 0 | 123.3 | | |
| 61 | Y | 33.1 | Very low | 34.9 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 63.1 | 153.1 | 167 | -72.9 | -60.3 | 0 | 0 | 0 | 116.9 | | |
| 62 | H | 32.9 | Very low | 34.8 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | cis | -148.9 | 168.8 | 9.8 | -159.3 | 68.6 | 0 | 0 | 0 | 113.3 | | |
| 63 | N | 29.5 | Very low | 34.4 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | | | trans | 64.5 | 109.1 | 157.8 | -119.3 | -10.7 | 0 | 0 | 0 | 124.9 | | |
| 64 | S | 34.7 | Very low | 34.2 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | | 18.3 | 126.4 | 126.6 | -34.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 65 | A | 31.1 | Very low | 34.1 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | | -162.5 | 141.2 | 121.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 66 | H | 36.1 | Very low | 33.9 | Very low | 191 Ų | 191 | 148 Ų | 148 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | | | trans | 57.1 | 147.4 | 169.2 | -55.1 | -69.9 | 0 | 0 | 0 | 118.7 | | |
| 67 | A | 35.3 | Very low | 33.7 | Very low | 89 Ų | 89 | 147.5 Ų | 147.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | cis | -144.7 | 146.4 | -24 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 68 | R | 34.9 | Very low | 33.8 | Very low | 243 Ų | 243 | 147.4 Ų | 147.4 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -135.3 | 100.6 | 171.8 | -79.4 | -174.4 | 173.2 | 133.5 | 0.4 | 110.5 | R70 | R68-R70 PolarHBondContact O-N 3.5Š|
| 69 | A | 32.6 | Very low | 33.8 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | -68.1 | 119.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 70 | R | 35.1 | Very low | 33.2 | Very low | 228 Ų | 228 | 155.7 Ų | 155.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -123.9 | 117 | 160.7 | -83.6 | -167.1 | 173.1 | -170.6 | 0.2 | 108.5 | R68 | R68-R70 PolarHBondContact O-N 3.5Š|
| 71 | V | 31.6 | Very low | 33.4 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -68 | 132.8 | 165 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 72 | S | 34.1 | Very low | 33.3 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | | | trans | -147.7 | 129.7 | 171.9 | -72.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 73 | Y | 30.1 | Very low | 33.3 | Very low | 239 Ų | 239 | 142.8 Ų | 142.8 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | | | trans | -78 | 124.3 | -171.9 | -158.8 | -99.7 | 0 | 0 | 0 | 109.7 | | |
| 74 | S | 34.3 | Very low | 33.5 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | | | trans | -86.3 | 141.3 | -171.7 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 75 | Q | 30.8 | Very low | 33.6 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | | | trans | -105.9 | 129.3 | 166.7 | -176.1 | 167.7 | 3.9 | 0 | 0 | 108.9 | | |
| 76 | A | 30.7 | Very low | 33.7 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | | | trans | -94.3 | 119.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 77 | H | 33.8 | Very low | 33.8 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | | | trans | -153 | 141.5 | 158.2 | -87.9 | -92.6 | 0 | 0 | 0 | 106.2 | | |
| 78 | A | 34.7 | Very low | 34.2 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 66% | 0.661 | 83% | 0.828 | S | S | * | * | | | cis | -167.4 | -171.3 | -9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 79 | R | 34.5 | Very low | 34.1 | Very low | 244 Ų | 244 | 144.4 Ų | 144.4 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | 101.7 | 120.7 | 157.6 | -56 | -173.6 | -179.5 | -159.6 | -0.5 | 118.4 | | |
| 80 | L | 34.8 | Very low | 34.7 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | | | trans | -121.7 | 171.3 | 136.9 | -98.6 | 164.3 | 0 | 0 | 0 | 107.4 | | |
| 81 | A | 37.3 | Very low | 34.8 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -122.6 | 157.8 | -160 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 82 | G | 30.6 | Very low | 34.8 | Very low | 87 Ų | 87 | 144.8 Ų | 144.8 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | 90.8 | 143.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 83 | G | 33 | Very low | 34.9 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | 136 | 74.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 84 | Q | 33.8 | Very low | 35.9 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 52.5 | 112.5 | 140.5 | -54.8 | -65.4 | 46 | 0 | 0 | 123.5 | | |
| 85 | V | 36 | Very low | 35.9 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 68.6 | 162 | 130 | -48.2 | 0 | 0 | 0 | 0 | 124.2 | | |
| 86 | C | 32.8 | Very low | 36.3 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | 75.5 | 89.3 | 159.6 | -68.9 | 0 | 0 | 0 | 0 | 120 | | |
| 87 | R | 38.1 | Very low | 36.3 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | | | trans | -119.4 | 133.9 | 157.8 | 169.1 | -174 | 179.4 | 117 | -1.3 | 108.8 | H89 | R87-H89 PolarHBondContact NE-CD2 2.99Å; R87-H89 PolarHBondContact NE-NE2 3.39Å; R87-H89 PolarHBondContact NH2-NE2 3.35Å |
| 88 | P | 44.4 | Very low | 36.2 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | -99.9 | 171.9 | 155.6 | -10.3 | 29.7 | 0 | 0 | 0 | 112.6 | | |
| 89 | H | 33.5 | Very low | 36.2 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 65% | 0.648 | 81% | 0.806 | S | S | * | * | | | trans | -114.7 | 174.5 | -171.9 | -101.3 | -123.8 | 0 | 0 | 0 | 114.3 | R87 | R87-H89 PolarHBondContact NE-CD2 2.99Å; R87-H89 PolarHBondContact NE-NE2 3.39Å; R87-H89 PolarHBondContact NH2-NE2 3.35Å |
| 90 | L | 45.3 | Very low | 36 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | trans | -54.4 | 151.1 | 176.1 | -67.5 | 61 | 0 | 0 | 0 | 112.8 | | |
| 91 | I | 36.5 | Very low | 36.8 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | | | trans | -135.2 | 154.8 | 155.5 | -49.7 | -178.3 | 0 | 0 | 0 | 108.6 | | |
| 92 | H | 31.8 | Very low | 36.6 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 170.1 | -164.5 | -52.4 | 114.8 | 0 | 0 | 0 | 116.9 | | |
| 93 | S | 36.5 | Very low | 36.8 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 157.1 | 159.8 | -43.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 94 | P | 51 | Low | 37 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 158.7 | 133.7 | 3 | 17.5 | 0 | 0 | 0 | 109.4 | | |
| 95 | G | 33.4 | Very low | 37 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | | 74.4 | 121.7 | 66 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 96 | I | 39.2 | Very low | 37 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | cis | -160.2 | 144.5 | 27.6 | 24 | 170.7 | 0 | 0 | 0 | 113.1 | | |
| 97 | S | 30.4 | Very low | 36.9 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | trans | 67.7 | 117.5 | 131.6 | -60.8 | 0 | 0 | 0 | 0 | 125.6 | | |
| 98 | W | 32.4 | Very low | 36.7 | Very low | 235 Ų | 235 | 134.8 Ų | 134.8 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | 47.1 | 119.7 | 134 | -63.5 | 92.6 | 0 | 0 | 0 | 122.4 | | |
| 99 | L | 34.7 | Very low | 36.2 | Very low | 168 Ų | 168 | 133 Ų | 133 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | | 179.2 | 153.4 | 110.1 | -94.3 | 166.9 | 0 | 0 | 0 | 113.3 | | |
| 100 | E | 31.1 | Very low | 36.2 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -159.5 | 157 | -177.4 | 174.7 | 173.8 | -166.2 | 0 | 0 | 108 | | |
| 101 | P | 51 | Low | 35.6 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | cis | -128.1 | 160.8 | -10.9 | 29.1 | -9.3 | 0 | 0 | 0 | 116.9 | | |
| 102 | G | 32.9 | Very low | 35.5 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | | 116.1 | 146.9 | 117.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 103 | K | 35.9 | Very low | 35.6 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | trans | 74.4 | 121.2 | 146.9 | 64.3 | 176.3 | -177.2 | -55 | 0 | 124.2 | | |
| 104 | A | 35.6 | Very low | 35.4 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | 75.5 | 148.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 105 | A | 34.3 | Very low | 34.5 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | cis | -171.3 | 172.8 | -19.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 106 | L | 35.2 | Very low | 34.5 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | 73.4 | 146.7 | 167.7 | -48.3 | 177.9 | 0 | 0 | 0 | 116 | | |
| 107 | S | 30.9 | Very low | 34.3 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -142.2 | 147.8 | 1.6 | -76 | 0 | 0 | 0 | 0 | 108.9 | | |
| 108 | A | 34.1 | Very low | 34.5 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | 56.1 | 137.1 | 74 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 109 | A | 34.8 | Very low | 34.4 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | | | cis | -156.3 | 153.6 | 15.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 110 | H | 32.7 | Very low | 34.3 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | | | trans | 20.3 | 151.6 | 134.8 | -60 | -84.5 | 0 | 0 | 0 | 125.4 | | |
| 111 | H | 32.3 | Very low | 34.4 | Very low | 180 Ų | 180 | 134 Ų | 134 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | | | trans | 172.1 | 153.9 | 131.2 | -98.2 | -85.6 | 0 | 0 | 0 | 110.5 | | |
| 112 | H | 35.9 | Very low | 33.3 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | cis | -161.4 | 175 | -35.3 | -130.2 | -97 | 0 | 0 | 0 | 110.3 | | |
| 113 | N | 34.1 | Very low | 33.2 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | | | trans | -120.6 | 154.7 | 179.9 | -87.9 | -80.8 | 0 | 0 | 0 | 114.2 | | |
| 114 | A | 31.2 | Very low | 32.9 | Very low | 78 Ų | 78 | 135.5 Ų | 135.5 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | | | trans | -155.4 | 161.7 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 115 | W | 32 | Very low | 32.8 | Very low | 254 Ų | 254 | 138.2 Ų | 138.2 | 96% | 0.962 | 79% | 0.786 | S | S | * | * | | | cis | -148.9 | 173.6 | 15.9 | -133 | -66.8 | 0 | 0 | 0 | 111.3 | | |
| 116 | A | 34.6 | Very low | 32.6 | Very low | 81 Ų | 81 | 142 Ų | 142 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | trans | -138.7 | 134.3 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 117 | V | 34.1 | Very low | 32.3 | Very low | 131 Ų | 131 | 139 Ų | 139 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | 52.6 | 112.9 | 141.9 | -173.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 118 | S | 33.8 | Very low | 32.4 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | trans | 49 | 134.8 | 141.1 | -54.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 119 | H | 30.8 | Very low | 32.3 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | | 175 | 132.7 | 97 | -95.5 | -76.5 | 0 | 0 | 0 | 112.2 | | |
| 120 | F | 32 | Very low | 32.4 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -159.7 | 162.7 | 150 | -119.8 | -78.5 | 0 | 0 | 0 | 110.5 | | |
| 121 | S | 33.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -142.7 | 153.1 | -171.4 | 53.7 | 0 | 0 | 0 | 0 | 112 | | |
| 122 | K | 28.7 | Very low | 32.4 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | 169.9 | 151.5 | 132.6 | -167.1 | 160.2 | -178.7 | 178.1 | 0 | 112.5 | | |
| 123 | T | 30.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -64.6 | 155.1 | -176.7 | 51.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 124 | G | 30.4 | Very low | 32.2 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -161.5 | 138.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 125 | L | 32.8 | Very low | 32.1 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -88.1 | 159.3 | -164.7 | -71.5 | 93.2 | 0 | 0 | 0 | 115.9 | | |
| 126 | H | 30.3 | Very low | 32.1 | Very low | 162 Ų | 162 | 122 Ų | 122 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | | | trans | -69.8 | 152.3 | 170 | 14.9 | -113.6 | 0 | 0 | 0 | 114.9 | | |
| 127 | S | 29.1 | Very low | 32 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | | 174.7 | 131 | 120.8 | -78.2 | 0 | 0 | 0 | 0 | 117 | | |
| 128 | S | 32.9 | Very low | 32.9 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | | 57.8 | 128.7 | 129.4 | -52.1 | 0 | 0 | 0 | 0 | 125.9 | | |
| 129 | G | 32.1 | Very low | 32.8 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | 101 | 158.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 130 | S | 36.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 122 Ų | 122 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | | | cis | -177.8 | 150.8 | -20.4 | 37 | 0 | 0 | 0 | 0 | 111.8 | | |
| 131 | G | 30.7 | Very low | 33.1 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | 94.4 | 129.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 132 | A | 35.4 | Very low | 33.1 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | cis | 96 | 116.1 | 9.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 133 | S | 34 | Very low | 33.5 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | 172.8 | 153.8 | 145.8 | 41.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 134 | G | 30.3 | Very low | 33.8 | Very low | 83 Ų | 83 | 113 Ų | 113 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | 79.5 | 138.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 135 | G | 29.2 | Very low | 34 | Very low | 72 Ų | 72 | 115.9 Ų | 115.9 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | cis | 103.9 | 131.8 | 6.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 136 | L | 32.6 | Very low | 34.1 | Very low | 144 Ų | 144 | 112.4 Ų | 112.4 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | cis | -141.8 | -179.8 | 20.3 | -104 | 66.9 | 0 | 0 | 0 | 113.4 | | |
| 137 | Y | 33.3 | Very low | 34.5 | Very low | 193 Ų | 193 | 110.5 Ų | 110.5 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | trans | -90.2 | -164.9 | 175.8 | 44 | -113.9 | 0 | 0 | 0 | 112.1 | | |
| 138 | P | 52.8 | Low | 34.8 | Very low | 99 Ų | 99 | 109.4 Ų | 109.4 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | | | cis | -145.1 | -171.6 | 5.7 | 43.4 | -21.9 | 0 | 0 | 0 | 118.9 | | |
| 139 | C | 31.3 | Very low | 35 | Very low | 127 Ų | 127 | 108.8 Ų | 108.8 | 86% | 0.858 | 78% | 0.778 | S | S | * | * | | | trans | 65.1 | 151 | 150.8 | 77.6 | 0 | 0 | 0 | 0 | 122 | | |
| 140 | G | 32 | Very low | 35 | Very low | 64 Ų | 64 | 110.1 Ų | 110.1 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | cis | 169.7 | 168.9 | -11.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 141 | S | 37.3 | Very low | 35 | Very low | 114 Ų | 114 | 112 Ų | 112 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | 68.1 | 145.9 | 171.8 | -60 | 0 | 0 | 0 | 0 | 117.2 | | |
| 142 | N | 33.2 | Very low | 35.5 | Very low | 152 Ų | 152 | 114.5 Ų | 114.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | cis | -166.8 | 167.5 | -6.7 | -103 | -8 | 0 | 0 | 0 | 107.9 | | |
| 143 | A | 36.1 | Very low | 36 | Very low | 74 Ų | 74 | 115.7 Ų | 115.7 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | | | cis | -172.9 | 165.9 | -22.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 144 | S | 36.5 | Very low | 35.9 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | 70 | 146.2 | 167.5 | -53.9 | 0 | 0 | 0 | 0 | 117 | | |
| 145 | T | 35.9 | Very low | 36 | Very low | 134 Ų | 134 | 114.2 Ų | 114.2 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | cis | -137.9 | 153.5 | 14.3 | 46.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 146 | A | 35.4 | Very low | 36.2 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | | | trans | 34.3 | 117.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 147 | S | 37 | Very low | 36.2 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | | 70.3 | 135.8 | 64.2 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 148 | A | 35.3 | Very low | 36.3 | Very low | 85 Ų | 85 | 113.6 Ų | 113.6 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | cis | -138.9 | 144.3 | 12.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 149 | S | 38 | Very low | 36.1 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | | 59.9 | 138.6 | 76.8 | -40.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 150 | S | 33.2 | Very low | 36.2 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | cis | -163.6 | 173.1 | -12.1 | -85.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 151 | L | 35.2 | Very low | 36.4 | Very low | 166 Ų | 166 | 118 Ų | 118 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | | | | -170.3 | 152 | 57.1 | -77.9 | 162.7 | 0 | 0 | 0 | 111.1 | | |
| 152 | T | 40.7 | Very low | 36.4 | Very low | 129 Ų | 129 | 122 Ų | 122 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -126.8 | 149.5 | 156.8 | 58.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 153 | P | 45.9 | Very low | 36.5 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | | -151 | -165.2 | 89.1 | 36.5 | -16.5 | 0 | 0 | 0 | 113.2 | | |
| 154 | A | 32.8 | Very low | 36.8 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | | -175.7 | 128.1 | -59 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 155 | S | 32.9 | Very low | 37.4 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | 63.1 | 154.9 | 168.2 | -55.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 156 | H | 32.4 | Very low | 38 | Very low | 179 Ų | 179 | 124.8 Ų | 124.8 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | cis | -108 | -152.3 | 2.9 | -68 | -98.3 | 0 | 0 | 0 | 109.7 | | |
| 157 | S | 32.3 | Very low | 38.5 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | cis | -156.9 | -160 | 9.7 | -148.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 158 | S | 35.6 | Very low | 39 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -150.5 | 174.9 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 159 | P | 49.5 | Very low | 39.4 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | cis | -136.2 | -165.2 | 5.5 | 23.6 | 3.9 | 0 | 0 | 0 | 115.2 | | |
| 160 | H | 33.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | | | trans | 105.7 | 115.6 | 151.7 | -73.2 | -70.3 | 0 | 0 | 0 | 122.9 | | |
| 161 | L | 34.5 | Very low | 39.8 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 63% | 0.634 | 77% | 0.77 | S | S | * | * | | | | 91.6 | 148.8 | 128.4 | -70.9 | 169.1 | 0 | 0 | 0 | 123.5 | | |
| 162 | Y | 37.5 | Very low | 39.9 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | 59.6 | 127.9 | 170.7 | -52.4 | -61.9 | 0 | 0 | 0 | 118.2 | | |
| 163 | S | 35.4 | Very low | 39.7 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | cis | 79.7 | 151.9 | 19.5 | -150.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 164 | F | 42.9 | Very low | 40 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | | | trans | -64.6 | 146.2 | -162.2 | -63.6 | -97.3 | 0 | 0 | 0 | 115.2 | | |
| 165 | P | 49.2 | Very low | 40.1 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -73.9 | 130.5 | 162.7 | 30.9 | -32.5 | 0 | 0 | 0 | 111.2 | | |
| 166 | P | 48.8 | Very low | 40.9 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | trans | -90.9 | -179.8 | 179.3 | 36.9 | -36.4 | 0 | 0 | 0 | 113.6 | | |
| 167 | T | 46.7 | Very low | 40.8 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | -69.1 | 149.9 | 173.5 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 168 | P | 45.4 | Very low | 40.7 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -71.8 | 156.7 | 172.2 | 31.3 | -35.5 | 0 | 0 | 0 | 112.9 | | |
| 169 | P | 45.7 | Very low | 40.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -94.9 | -179.9 | -168.6 | 38.4 | -38.2 | 0 | 0 | 0 | 115.2 | | |
| 170 | K | 43.7 | Very low | 39.7 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -117.3 | 149.3 | 159.7 | -75.9 | -176.9 | 171 | -172.3 | 0 | 109.3 | | |
| 171 | D | 35.5 | Very low | 40.6 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | 177.2 | 126.6 | 135.4 | -91.2 | -25.4 | 0 | 0 | 0 | 107.6 | | |
| 172 | V | 36.9 | Very low | 40.5 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | | 99.6 | 141.6 | 72.5 | 162.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 173 | S | 36.6 | Very low | 40.2 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -91.1 | 179.7 | -167 | -146.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 174 | P | 50.9 | Low | 40 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | | -139 | 179.9 | 103 | 37 | -23.3 | 0 | 0 | 0 | 115.9 | | |
| 175 | D | 35.2 | Very low | 39.5 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -72.9 | -176 | -179.8 | -125.6 | -119.4 | 0 | 0 | 0 | 112.9 | | |
| 176 | P | 50.3 | Low | 39.5 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | cis | -141.8 | 179.1 | 9.9 | 42.1 | -23 | 0 | 0 | 0 | 118.8 | | |
| 177 | G | 29.7 | Very low | 38.8 | Very low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | 141 | 92.6 | 132.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 178 | A | 31.2 | Very low | 38.1 | Very low | 106 Ų | 106 | 129 Ų | 129 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | | | trans | 67.7 | 150.1 | 133.5 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 179 | A | 31.8 | Very low | 37.7 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | 79.7 | 111 | 150.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 180 | S | 32.2 | Very low | 37.1 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -80.5 | -170.5 | 157.8 | -28.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 181 | P | 52.5 | Low | 36.7 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | cis | -125.5 | -141 | -2 | 28.8 | -1.7 | 0 | 0 | 0 | 110.2 | | |
| 182 | L | 31.3 | Very low | 36.7 | Very low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | cis | -163.3 | 146.6 | 2.1 | -170.6 | 62.2 | 0 | 0 | 0 | 110.2 | | |
| 183 | S | 31.9 | Very low | 36.4 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | 168.8 | 138 | 132 | -77.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 184 | S | 32.3 | Very low | 36.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -51 | 131.2 | 178.5 | 44.1 | 0 | 0 | 0 | 0 | 120 | | |
| 185 | T | 32.3 | Very low | 36 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | | 25.5 | 162.8 | 116.1 | 61.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 186 | P | 49 | Very low | 35.8 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | cis | -135.5 | -175.3 | -28.6 | 38.3 | -21.4 | 0 | 0 | 0 | 113 | | |
| 187 | R | 33.8 | Very low | 34.7 | Very low | 227 Ų | 227 | 138.7 Ų | 138.7 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | | -166.4 | 126 | 124.3 | -68.9 | -140.9 | -178.7 | -146.5 | -5.6 | 109.9 | | |
| 188 | M | 31.7 | Very low | 34.5 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | | 65.6 | 100.5 | 85.6 | -43.1 | -152.1 | 96.2 | 0 | 0 | 115.9 | | |
| 189 | D | 36.9 | Very low | 34.5 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | | -160.9 | -174 | 120 | -150.3 | -99.9 | 0 | 0 | 0 | 110.3 | | |
| 190 | E | 32.2 | Very low | 34.5 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | | | trans | -120.1 | 168.5 | -152.9 | -150.8 | -165.9 | 85.8 | 0 | 0 | 115.9 | | |
| 191 | K | 36.8 | Very low | 34.6 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | 76.2 | 131.3 | 148.6 | -158.5 | 165.4 | 177.8 | 175.2 | 0 | 116.9 | | |
| 192 | E | 35.5 | Very low | 33.6 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | cis | -139.9 | 168.2 | 22 | -161.8 | 149.9 | 96.4 | 0 | 0 | 112.4 | | |
| 193 | S | 30.9 | Very low | 33.6 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -120.8 | 142.4 | -176.6 | -72.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 194 | I | 41.9 | Very low | 33.7 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -148.5 | 144.9 | 150.5 | -102.2 | 144.8 | 0 | 0 | 0 | 111.5 | | |
| 195 | K | 36.5 | Very low | 33.7 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -65.2 | 164.4 | -176.7 | -66.6 | -174.5 | 174 | -172.5 | 0 | 113.3 | | |
| 196 | Y | 31.4 | Very low | 33.8 | Very low | 182 Ų | 182 | 154.6 Ų | 154.6 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | cis | -159.6 | 175.3 | 7.2 | -134.6 | -148.7 | 0 | 0 | 0 | 113.1 | | |
| 197 | Q | 26.2 | Very low | 32.8 | Very low | 140 Ų | 140 | 158.3 Ų | 158.3 | 65% | 0.654 | 80% | 0.795 | S | S | * | * | | | trans | -17.8 | 163.8 | 154.5 | -87.9 | -178.2 | -26.9 | 0 | 0 | 120.2 | | |
| 198 | M | 26.3 | Very low | 32.6 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -148.3 | 163.8 | 24.7 | -135.2 | -56.3 | -172.4 | 0 | 0 | 112.8 | | |
| 199 | S | 31.6 | Very low | 32.5 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -84.7 | 161.8 | 176.9 | -49.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 200 | L | 31.5 | Very low | 32.4 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | | | trans | -145.1 | 154.2 | 157.9 | -117.3 | 169.3 | 0 | 0 | 0 | 109.9 | | |
| 201 | S | 34.2 | Very low | 33.1 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -112.7 | 166.2 | -152.8 | 54.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 202 | D | 30.6 | Very low | 33.1 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -12.9 | 131.1 | 167.4 | -103.3 | -71.5 | 0 | 0 | 0 | 120.4 | | |
| 203 | G | 32.5 | Very low | 33 | Very low | 64 Ų | 64 | 147.8 Ų | 147.8 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | | | | 75.5 | 95 | 99 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 204 | M | 33.8 | Very low | 33 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | | | trans | -130.8 | 138.1 | 148.8 | -64.9 | 102.8 | 175.1 | 0 | 0 | 111.3 | | |
| 205 | K | 32.5 | Very low | 32.5 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | -114.3 | 150.5 | 163.8 | 64.2 | -175.9 | 178.4 | -178.1 | 0 | 108.4 | | |
| 206 | M | 34.9 | Very low | 32.5 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | -138.5 | 143.5 | 166.3 | -84.5 | -62.2 | -70.7 | 0 | 0 | 110 | | |
| 207 | E | 27.5 | Very low | 32.6 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | -142.8 | 149.8 | -174.5 | -176.7 | 177.1 | 130.1 | 0 | 0 | 108.7 | | |
| 208 | G | 29.2 | Very low | 32.8 | Very low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | trans | 89.3 | 126.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 209 | S | 30.2 | Very low | 33.2 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | | | trans | 80.9 | 120.7 | 131.3 | -52.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 210 | S | 33.5 | Very low | 33 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -81.1 | 174.2 | 160.1 | -38.1 | 0 | 0 | 0 | 0 | 112 | | |
| 211 | P | 46.9 | Very low | 33 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -128.9 | 175.4 | 132.7 | 29.1 | -14.5 | 0 | 0 | 0 | 114.1 | | |
| 212 | L | 36.9 | Very low | 33 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -111.8 | -179 | -173.2 | -66.9 | 167.5 | 0 | 0 | 0 | 112.2 | | |
| 213 | R | 34.9 | Very low | 33.1 | Very low | 227 Ų | 227 | 134.5 Ų | 134.5 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | trans | 115.7 | 143.4 | 162.9 | -63.3 | -126.4 | 79.8 | 156.6 | 3.5 | 114.3 | | |
| 214 | S | 31 | Very low | 33.6 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 52% | 0.524 | 79% | 0.788 | S | S | . | * | | | cis | -168.3 | 160.3 | -17.9 | -154.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 215 | S | 31 | Very low | 33.6 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | | | trans | 78.2 | 127.7 | 138.4 | -65.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 216 | L | 36.6 | Very low | 33.6 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | trans | 69.3 | 150.4 | 137.3 | -60.4 | 167.6 | 0 | 0 | 0 | 119.8 | | |
| 217 | A | 32.7 | Very low | 33.6 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | | | cis | -170.1 | 168.6 | -18.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 218 | S | 31.3 | Very low | 34 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 70 | 162.8 | 158.2 | -52.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 219 | I | 33.8 | Very low | 34.9 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | cis | -142.5 | 166 | 1.9 | -4.5 | 178 | 0 | 0 | 0 | 111.9 | | |
| 220 | S | 27.9 | Very low | 35.1 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -31.4 | 151.1 | 166.6 | 55.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 221 | A | 31.5 | Very low | 35.3 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | | | | 175.1 | 138.2 | 99.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 222 | Q | 33.7 | Very low | 35.2 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | | | trans | 58.2 | 132.9 | 143.1 | -65.7 | 175.4 | 84.4 | 0 | 0 | 122.8 | | |
| 223 | T | 32.4 | Very low | 35.1 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -96.5 | 169.9 | 159.3 | 62 | 0 | 0 | 0 | 0 | 109.3 | | |
| 224 | P | 43.4 | Very low | 35.6 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | | -146.4 | 167 | 81.5 | 37.7 | -19 | 0 | 0 | 0 | 117.1 | | |
| 225 | S | 33.7 | Very low | 35.7 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -46.9 | 153.7 | 175.2 | -40.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 226 | T | 32.7 | Very low | 35.9 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | | | trans | -153.7 | 146.7 | 136.9 | -72.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 227 | H | 35 | Very low | 36.1 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | | | trans | -119.6 | 138.1 | -167 | 174 | -85.7 | 0 | 0 | 0 | 111.6 | | |
| 228 | H | 36.5 | Very low | 36.2 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | -148.2 | 142.8 | 166.9 | 62.6 | -88 | 0 | 0 | 0 | 112.3 | | |
| 229 | P | 47.1 | Very low | 36.9 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 164.4 | -178.5 | 36.5 | -35.9 | 0 | 0 | 0 | 113.4 | | |
| 230 | I | 34.1 | Very low | 36.9 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 82% | 0.821 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 125.2 | 176.7 | -59.3 | 172.4 | 0 | 0 | 0 | 110 | | |
| 231 | P | 38.4 | Very low | 37.3 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 134.8 | 174.6 | -13.5 | 30 | 0 | 0 | 0 | 113.5 | | |
| 232 | T | 44.2 | Very low | 37.5 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 129.7 | 171.7 | -46 | 0 | 0 | 0 | 0 | 110.5 | | |
| 233 | Y | 35.2 | Very low | 37.5 | Very low | 214 Ų | 214 | 138 Ų | 138 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 133.5 | 176.5 | -102.2 | -88.6 | 0 | 0 | 0 | 112.7 | | |
| 234 | P | 44.9 | Very low | 37.7 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 164.2 | 176.8 | 36.2 | -35.3 | 0 | 0 | 0 | 113.6 | | |
| 235 | T | 34.5 | Very low | 37.3 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.6 | 171.3 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 236 | Y | 33.8 | Very low | 37.3 | Very low | 211 Ų | 211 | 138.9 Ų | 138.9 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 144.3 | 171.6 | -86.6 | -91 | 0 | 0 | 0 | 112.4 | | |
| 237 | S | 40.8 | Very low | 37.6 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -152.3 | 154.6 | 169.2 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 238 | L | 36 | Very low | 37.9 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | 153.9 | 159.8 | 169.7 | -90.3 | 161.3 | 0 | 0 | 0 | 108.5 | | |
| 239 | P | 46.2 | Very low | 38 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | cis | -121.3 | 179.7 | -40.2 | 27.3 | -7.7 | 0 | 0 | 0 | 112.5 | | |
| 240 | A | 34.1 | Very low | 37.5 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -96 | 170.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 241 | A | 34.5 | Very low | 38.1 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | trans | -159.1 | 147.7 | 136.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 242 | H | 36.3 | Very low | 38.1 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | | | trans | 75.7 | 93.9 | 160.3 | -58.3 | -51.1 | 0 | 0 | 0 | 122.8 | | |
| 243 | D | 34.7 | Very low | 37.6 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | | 25.3 | 122.3 | 127 | -55.7 | -93.8 | 0 | 0 | 0 | 121.8 | | |
| 244 | Y | 35.6 | Very low | 38 | Very low | 229 Ų | 229 | 133.1 Ų | 133.1 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | | -169 | 124.4 | 93 | -132.8 | -97.3 | 0 | 0 | 0 | 112.9 | | |
| 245 | G | 34.7 | Very low | 37.9 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | | | trans | 68.8 | 138.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 246 | G | 33.8 | Very low | 37.8 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | cis | 144.6 | 81.7 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 247 | S | 38.5 | Very low | 37.8 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | 66.5 | 153.5 | 142.5 | -85.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 248 | L | 42.8 | Very low | 37.8 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 65% | 0.654 | 81% | 0.811 | S | S | * | * | | | cis | -166.4 | 171.7 | -12 | -165.3 | 168.4 | 0 | 0 | 0 | 110.4 | | |
| 249 | F | 37.8 | Very low | 38 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | trans | 90.4 | 147.7 | 161.1 | -55.4 | -66.7 | 0 | 0 | 0 | 122.4 | | |
| 250 | H | 36.2 | Very low | 38 | Very low | 184 Ų | 184 | 126.6 Ų | 126.6 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | | | trans | -95.9 | -172 | 170.2 | -65.9 | 105.6 | 0 | 0 | 0 | 109.6 | | |
| 251 | P | 47.7 | Very low | 38.1 | Very low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | cis | -123.8 | -171.4 | -7.2 | 28.5 | -4.9 | 0 | 0 | 0 | 113.3 | | |
| 252 | G | 38.2 | Very low | 38.5 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | -93.6 | 172.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 253 | S | 33.1 | Very low | 39 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -157.5 | 125.2 | 165.8 | -85.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 254 | L | 43.5 | Very low | 39.5 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | | | trans | 59.8 | 148.7 | 135.4 | -53.9 | 177.4 | 0 | 0 | 0 | 122.8 | | |
| 255 | L | 43.6 | Very low | 39.4 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | | | trans | 72.7 | 119.2 | 163.8 | -61.1 | 166.8 | 0 | 0 | 0 | 118.9 | | |
| 256 | G | 33 | Very low | 39.6 | Very low | 83 Ų | 83 | 128.6 Ų | 128.6 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | 154.5 | 86.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 257 | G | 32.9 | Very low | 39.8 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | | | trans | 90.7 | 95 | 149 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 258 | S | 41.2 | Very low | 39.8 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -76.6 | 141.7 | 160.7 | -61 | 0 | 0 | 0 | 0 | 112 | | |
| 259 | S | 40 | Very low | 39.8 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | | | | -175.9 | 146.7 | 127.4 | 38.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 260 | S | 45.2 | Very low | 39.9 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -92.9 | 147.5 | -179 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 261 | S | 37.3 | Very low | 40.3 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -162.3 | 78.4 | 161.7 | -86.4 | 0 | 0 | 0 | 0 | 111 | T263 | S261-T263 PolarHBondContact O-N 3.22Å; S261-T263 VanDerWaalsContact O-N 3.1Å |
| 262 | F | 42.1 | Very low | 40.2 | Very low | 213 Ų | 213 | 133.3 Ų | 133.3 | 93% | 0.934 | 80% | 0.799 | S | S | * | * | | | trans | -68.3 | 103.7 | 165.6 | -90.9 | -90 | 0 | 0 | 0 | 109.4 | | |
| 263 | T | 48 | Very low | 40.6 | Very low | 103 Ų | 103 | 134 Ų | 134 | 63% | 0.632 | 79% | 0.792 | S | S | * | * | | | trans | -119.5 | 123.1 | 163.3 | 49.2 | 0 | 0 | 0 | 0 | 108.8 | S261 K265 | S261-T263 PolarHBondContact O-N 3.22Å; S261-T263 VanDerWaalsContact O-N 3.1Å; T263-K265 PolarHBondContact O-N 2.93Å |
| 264 | P | 45.6 | Very low | 41.7 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | -67.5 | 108 | 178.9 | 26.4 | -32.3 | 0 | 0 | 0 | 108.9 | C266 | P264-C266 VanDerWaalsContact C-N 3.31Å; P264-C266 PolarHBondContact O-N 3.06Å |
| 265 | K | 33.4 | Very low | 42.5 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | trans | -68.2 | 86.7 | -177.4 | -74.4 | 175.4 | 179.9 | 165.2 | 0 | 110.5 | T263 K267 | T263-K265 PolarHBondContact O-N 2.93Å; K265-K267 HydrophobicContact CB-CG 4.4Å; K265-K267 PolarHBondContact O-N 3Å |
| 266 | C | 37.3 | Very low | 44.1 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | | | trans | -67.1 | 78.7 | 164.7 | -153.1 | 0 | 0 | 0 | 0 | 108.7 | P264 S268 | P264-C266 VanDerWaalsContact C-N 3.31Å; P264-C266 PolarHBondContact O-N 3.06Å; C266-S268 PolarHBondContact O-N 3.39Å |
| 267 | K | 37.9 | Very low | 46.8 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | | | trans | -72 | 61.4 | 174.2 | -81.5 | 178.6 | 174.1 | 175.2 | 0 | 109.7 | K265 K269 | K265-K267 HydrophobicContact CB-CG 4.4Å; K265-K267 PolarHBondContact O-N 3Å; K267-K269 PolarHBondContact O-N 3.07Å |
| 268 | S | 39.5 | Very low | 49.6 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | | | trans | -59.6 | 87.9 | 155.9 | -61.1 | 0 | 0 | 0 | 0 | 107.3 | C266 T270 | C266-S268 PolarHBondContact O-N 3.39Å; S268-T270 PolarHBondContact O-N 3.14Å |
| 269 | K | 42.7 | Very low | 52.1 | Low | 194 Ų | 194 | 120.8 Ų | 120.8 | 84% | 0.843 | 67% | 0.673 | S | S | * | * | | | trans | -72.9 | 70.8 | 173.2 | -174.4 | 145.4 | -178.1 | 171.3 | 0 | 108.5 | K267 R271 | K267-K269 PolarHBondContact O-N 3.07Å; K269-R271 PolarHBondContact O-N 3.36Å |
| 270 | T | 39.9 | Very low | 54.6 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 68% | 0.681 | 65% | 0.654 | S | S | * | * | | | trans | -48.5 | 119.9 | 167.7 | 39.9 | 0 | 0 | 0 | 0 | 107.4 | S268 S272 | S268-T270 PolarHBondContact O-N 3.14Å; T270-S272 PolarHBondContact O-N 2.87Å |
| 271 | R | 44.2 | Very low | 56.8 | Low | 227 Ų | 227 | 114.5 Ų | 114.5 | 86% | 0.857 | 62% | 0.624 | S | S | * | * | | | trans | -78.7 | 80 | -175.7 | -59.6 | -174.6 | -173 | -160.1 | 3 | 107.6 | K269 C273 | K269-R271 PolarHBondContact O-N 3.36Å; R271-C273 PolarHBondContact O-N 3.27Å |
| 272 | S | 45.6 | Very low | 59.3 | Low | 114 Ų | 114 | 110.6 Ų | 110.6 | 80% | 0.797 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 56 | -170.2 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | T270 | T270-S272 PolarHBondContact O-N 2.87Š|
| 273 | C | 47 | Very low | 61.6 | Low | 88 Ų | 88 | 101.4 Ų | 101.4 | 60% | 0.595 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.8 | 11.9 | 173.1 | -158.8 | 0 | 0 | 0 | 0 | 112 | R271 R277 | R271-C273 PolarHBondContact O-N 3.27Å; C273-R277 PolarHBondContact O-NE 3.37Å; C273-R277 PolarHBondContact O-NH2 2.99Å; C273-R277 PolarHBondContact SG-NH2 3.05Å |
| 274 | S | 55.2 | Low | 63.6 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | | | trans | -75.6 | -34.4 | 169.3 | 42.6 | 0 | 0 | 0 | 0 | 112.8 | G276 R277 | S274-G276 PolarHBondContact O-N 2.71Å; S274-R277 PolarHBondContact O-N 3.19Å |
| 275 | E | 61.6 | Low | 65.8 | Low | 181 Ų | 181 | 96.9 Ų | 96.9 | 85% | 0.846 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -6.1 | -160.9 | -133.6 | 56.6 | -151.1 | 0 | 0 | 117.8 | | |
| 276 | G | 76.8 | Confident | 68.5 | Low | 74 Ų | 74 | 93.4 Ų | 93.4 | 76% | 0.763 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | 2.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S274 | S274-G276 PolarHBondContact O-N 2.71Š|
| 277 | R | 89.1 | Confident | 71.2 | Confident | 77 Ų | 77 | 89.5 Ų | 89.5 | 29% | 0.291 | 51% | 0.505 | S | S | . | . | | | trans | -103 | 104.1 | -177.9 | -75.5 | 178.8 | -98.2 | -148.8 | -5.8 | 111 | C273 S274 T285 W290 Y298 | C273-R277 PolarHBondContact O-NE 3.37Å; C273-R277 PolarHBondContact O-NH2 2.99Å; C273-R277 PolarHBondContact SG-NH2 3.05Å; S274-R277 PolarHBondContact O-N 3.19Å; R277-T285 WeakPolarHBondContact O-CA 3.47Å; R277-W290 HydrophobicContact CB-CH2 3.96Å; R277-W290 HydrophobicContact CB-CZ2 3.63Å; R277-W290 WeakPolarHBondContact O-CH2 3.37Å; R277-W290 VanDerWaalsContact O-CZ2 3.25Å; R277-W290 WeakPolarHBondContact O-CZ2 3.13Å; R277-Y298 HydrophobicContact CG-CD1 4.41Å; R277-Y298 HydrophobicContact CG-CD2 4.31Å; R277-Y298 HydrophobicContact CG-CE1 4.39Å; R277-Y298 HydrophobicContact CG-CE2 4.29Å; R277-Y298 HydrophobicContact CG-CG 4.37Å |
| 278 | E | 93.2 | Very high | 73.8 | Confident | 67 Ų | 67 | 86.8 Ų | 86.8 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | | | trans | -102.9 | 144 | 161.7 | 87.8 | 167.8 | 107.9 | 0 | 0 | 110.7 | V280 G283 T285 K320 R322 | E278-V280 PolarHBondContact O-N 2.87Å; E278-G283 VanDerWaalsContact OE2-CA 3.3Å; E278-G283 WeakPolarHBondContact OE2-CA 3.44Å; E278-T285 HydrophobicContact CB-CG2 4.34Å; E278-K320 IonicContact OE2-NZ 2.8Å; E278-K320 PolarHBondContact OE2-NZ 2.96Å; E278-R322 IonicContact OE1-CZ 3.56Å; E278-R322 IonicContact OE1-NE 3.67Å; E278-R322 IonicContact OE1-NH2 2.67Å; E278-R322 PolarHBondContact OE1-NH2 2.93Å; E278-R322 IonicContact OE2-NE 3.74Å; E278-R322 IonicContact OE2-NH2 3.85Å |
| 279 | C | 93.6 | Very high | 76.4 | Confident | 0 Ų | 0 | 86.8 Ų | 86.8 | 0% | 0 | 50% | 0.499 | C | S | . | . | | | trans | -64.6 | 123.1 | 169.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | N281 G283 A284 W290 Y298 C300 | C279-N281 VanDerWaalsContact C-N 3.25Å; C279-N281 PolarHBondContact O-N 3.13Å; C279-G283 VanDerWaalsContact O-CA 3.24Å; C279-G283 WeakPolarHBondContact O-CA 3.23Å; C279-G283 PolarHBondContact O-N 3.03Å; C279-A284 HydrophobicContact CB-CB 4.46Å; C279-A284 PolarHBondContact N-O 3.21Å; C279-W290 HydrophobicContact CB-CZ3 4.18Å; C279-Y298 WeakPolarHBondContact CA-O 3.38Å; C279-C300 HydrophobicContact CB-CB 3.9Å; C279-C300 PolarHBondContact SG-N 3.5Å |
| 280 | V | 92.6 | Very high | 78.9 | Confident | 77 Ų | 77 | 80.9 Ų | 80.9 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -32.1 | -176 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | E278 H297 Y298 L299 | E278-V280 PolarHBondContact O-N 2.87Å; V280-H297 HydrophobicContact CG1-CB 3.95Å; V280-H297 HydrophobicContact CG2-CB 3.83Å; V280-Y298 PolarHBondContact N-O 3.4Å; V280-L299 HydrophobicContact CG2-CD2 3.66Å; V280-L299 HydrophobicContact CG2-CG 4.5Å |
| 281 | N | 90.7 | Very high | 81.5 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 13% | 0.128 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -66.7 | 174.7 | 174.2 | -75.6 | 0 | 0 | 0 | 111.3 | C279 L299 C303 N313 R314 L316 | C279-N281 VanDerWaalsContact C-N 3.25Å; C279-N281 PolarHBondContact O-N 3.13Å; N281-L299 HydrophobicContact CB-CD2 3.95Å; N281-C303 HydrophobicContact CB-CB 4.12Å; N281-C303 PolarHBondContact OD1-SG 2.98Å; N281-N313 WeakPolarHBondContact ND2-CB 3.4Å; N281-N313 PolarHBondContact ND2-OD1 2.88Å; N281-R314 PolarHBondContact ND2-N 3.38Å; N281-R314 PolarHBondContact ND2-O 3.31Å; N281-L316 WeakPolarHBondContact OD1-CD1 3.19Å |
| 282 | C | 90 | Very high | 83.9 | Confident | 29 Ų | 29 | 76 Ų | 76 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -22.3 | -168.8 | 72.7 | 0 | 0 | 0 | 0 | 115.4 | A284 C300 C303 L316 K320 | C282-A284 PolarHBondContact SG-N 3.37Å; C282-A284 VanDerWaalsContact SG-N 3.44Å; C282-C300 PolarHBondContact SG-SG 3.18Å; C282-C303 VanDerWaalsContact SG-SG 3.64Å; C282-L316 HydrophobicContact CB-CD1 4.06Å; C282-L316 HydrophobicContact CB-CD2 4.18Å; C282-L316 HydrophobicContact CB-CG 4.46Å; C282-K320 WeakPolarHBondContact O-CD 3.46Å; C282-K320 PolarHBondContact O-NZ 3.23Å |
| 283 | G | 89.3 | Confident | 86 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 22% | 0.216 | 41% | 0.412 | C | S | . | . | | | trans | 81.4 | 12.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | E278 C279 T285 | E278-G283 VanDerWaalsContact OE2-CA 3.3Å; E278-G283 WeakPolarHBondContact OE2-CA 3.44Å; C279-G283 VanDerWaalsContact O-CA 3.24Å; C279-G283 WeakPolarHBondContact O-CA 3.23Å; C279-G283 PolarHBondContact O-N 3.03Å; G283-T285 PolarHBondContact O-N 3.47Å |
| 284 | A | 90.4 | Very high | 88.1 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 28% | 0.281 | 43% | 0.426 | S | S | . | . | | | trans | -57.6 | 124.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | C279 C282 W290 C300 | C279-A284 HydrophobicContact CB-CB 4.46Å; C279-A284 PolarHBondContact N-O 3.21Å; C282-A284 PolarHBondContact SG-N 3.37Å; C282-A284 VanDerWaalsContact SG-N 3.44Å; A284-W290 WeakPolarHBondContact O-CH2 3.47Å; A284-C300 HydrophobicContact CB-CB 4.28Å |
| 285 | T | 92.3 | Very high | 89.8 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 62% | 0.62 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -88.8 | -18.7 | 174.4 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | R277 E278 G283 | R277-T285 WeakPolarHBondContact O-CA 3.47Å; E278-T285 HydrophobicContact CB-CG2 4.34Å; G283-T285 PolarHBondContact O-N 3.47Å |
| 286 | S | 90.5 | Very high | 91.2 | Very high | 97 Ų | 97 | 66.4 Ų | 66.4 | 68% | 0.678 | 41% | 0.406 | S | S | * | . | | | trans | -116.4 | 147 | 170.2 | 60 | 0 | 0 | 0 | 0 | 110.6 | | |
| 287 | T | 92.9 | Very high | 92 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 20% | 0.202 | 39% | 0.39 | C | S | . | . | | | trans | -162.9 | 146.9 | 174.7 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | L289 W290 C300 N301 | T287-L289 WeakPolarHBondContact CG2-O 3.33Å; T287-L289 PolarHBondContact O-N 3.19Å; T287-L289 PolarHBondContact OG1-O 2.91Å; T287-W290 HydrophobicContact CG2-CD2 3.47Å; T287-W290 VanDerWaalsContact CG2-CD2 3.47Å; T287-W290 HydrophobicContact CG2-CE3 3.88Å; T287-W290 HydrophobicContact CG2-CG 3.8Å; T287-W290 HydrophobicContact CG2-CH2 4.31Å; T287-W290 HydrophobicContact CG2-CZ2 3.95Å; T287-W290 HydrophobicContact CG2-CZ3 4.28Å; T287-C300 HydrophobicContact CG2-CB 4.12Å; T287-C300 WeakPolarHBondContact OG1-CB 3.25Å; T287-N301 PolarHBondContact OG1-N 2.98Å |
| 288 | P | 92.6 | Very high | 92.3 | Very high | 124 Ų | 124 | 67.3 Ų | 67.3 | 81% | 0.805 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -65.5 | -24.1 | 176.1 | 25.1 | -35.5 | 0 | 0 | 0 | 113.4 | N301 | P288-N301 HydrophobicContact CG-CB 4.4Š|
| 289 | L | 94 | Very high | 92.3 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 45% | 0.45 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -148.7 | 124.4 | 174.5 | 179.7 | 62.4 | 0 | 0 | 0 | 110.8 | T287 N301 | T287-L289 WeakPolarHBondContact CG2-O 3.33Å; T287-L289 PolarHBondContact O-N 3.19Å; T287-L289 PolarHBondContact OG1-O 2.91Å; L289-N301 HydrophobicContact CB-CB 4.14Å; L289-N301 WeakPolarHBondContact O-CA 3.42Å; L289-N301 WeakPolarHBondContact O-CB 3.45Å; L289-N301 PolarHBondContact O-N 3.29Å |
| 290 | W | 95.2 | Very high | 92.4 | Very high | 70 Ų | 70 | 64.8 Ų | 64.8 | 27% | 0.265 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 130 | 168.4 | -74.5 | 107.7 | 0 | 0 | 0 | 110.2 | R277 C279 A284 T287 | R277-W290 HydrophobicContact CB-CH2 3.96Å; R277-W290 HydrophobicContact CB-CZ2 3.63Å; R277-W290 WeakPolarHBondContact O-CH2 3.37Å; R277-W290 VanDerWaalsContact O-CZ2 3.25Å; R277-W290 WeakPolarHBondContact O-CZ2 3.13Å; C279-W290 HydrophobicContact CB-CZ3 4.18Å; A284-W290 WeakPolarHBondContact O-CH2 3.47Å; T287-W290 HydrophobicContact CG2-CD2 3.47Å; T287-W290 VanDerWaalsContact CG2-CD2 3.47Å; T287-W290 HydrophobicContact CG2-CE3 3.88Å; T287-W290 HydrophobicContact CG2-CG 3.8Å; T287-W290 HydrophobicContact CG2-CH2 4.31Å; T287-W290 HydrophobicContact CG2-CZ2 3.95Å; T287-W290 HydrophobicContact CG2-CZ3 4.28Å |
| 291 | R | 94.9 | Very high | 92.6 | Very high | 87 Ų | 87 | 63 Ų | 63 | 33% | 0.328 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 159 | 171.4 | -64.3 | -177.8 | -179.8 | -84.4 | -2.8 | 109.3 | L299 N301 | R291-L299 HydrophobicContact CB-CB 4.49Å; R291-L299 PolarHBondContact N-O 3.1Å; R291-L299 PolarHBondContact O-N 3.43Å; R291-N301 VanDerWaalsContact CZ-OD1 3.3Å; R291-N301 PolarHBondContact NE-OD1 2.92Å; R291-N301 PolarHBondContact NH2-OD1 3.5Å |
| 292 | R | 95.1 | Very high | 92.8 | Very high | 149 Ų | 149 | 64.1 Ų | 64.1 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 149.8 | 165.4 | -65 | -174.4 | -175.4 | -80.1 | 1.3 | 109.8 | G296 H297 Y298 | R292-G296 PolarHBondContact NH1-O 3.13Å; R292-H297 VanDerWaalsContact CA-O 3.28Å; R292-H297 WeakPolarHBondContact CA-O 3.35Å; R292-Y298 VanDerWaalsContact NH1-CE1 3.3Å; R292-Y298 VanDerWaalsContact NH1-CZ 3.27Å; R292-Y298 PolarHBondContact NH1-OH 2.95Å; R292-Y298 PolarHBondContact NH2-OH 2.93Å |
| 293 | D | 89.9 | Confident | 93 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | | | trans | -83.4 | 173.3 | 160.6 | 68 | 21.1 | 0 | 0 | 0 | 111.1 | T295 G296 H297 L299 | D293-T295 PolarHBondContact O-N 2.98Å; D293-T295 VanDerWaalsContact OD1-CA 3.25Å; D293-T295 WeakPolarHBondContact OD1-CA 3.47Å; D293-T295 WeakPolarHBondContact OD1-CB 3.32Å; D293-T295 PolarHBondContact OD1-N 3.47Å; D293-T295 PolarHBondContact OD1-OG1 3.16Å; D293-T295 PolarHBondContact OD2-OG1 2.87Å; D293-G296 PolarHBondContact O-N 3.43Å; D293-G296 PolarHBondContact OD1-N 2.94Å; D293-H297 PolarHBondContact N-O 3.3Å; D293-H297 VanDerWaalsContact N-O 3.16Å; D293-H297 IonicContact OD1-CG 3.83Å; D293-H297 PolarHBondContact OD1-N 2.9Å; D293-H297 IonicContact OD1-ND1 3.29Å; D293-H297 PolarHBondContact OD1-ND1 3.49Å; D293-H297 WeakPolarHBondContact OD2-CB 3.41Å; D293-H297 IonicContact OD2-CG 3.54Å; D293-H297 IonicContact OD2-ND1 2.92Å; D293-H297 PolarHBondContact OD2-ND1 3.27Å; D293-L299 HydrophobicContact CB-CD1 4.08Å |
| 294 | G | 89.6 | Confident | 93.2 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 88% | 0.876 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 6.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 295 | T | 91.6 | Very high | 93.4 | Very high | 88 Ų | 88 | 64 Ų | 64 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 9.8 | 171.3 | 40.3 | 0 | 0 | 0 | 0 | 111.9 | D293 H297 | D293-T295 PolarHBondContact O-N 2.98Å; D293-T295 VanDerWaalsContact OD1-CA 3.25Å; D293-T295 WeakPolarHBondContact OD1-CA 3.47Å; D293-T295 WeakPolarHBondContact OD1-CB 3.32Å; D293-T295 PolarHBondContact OD1-N 3.47Å; D293-T295 PolarHBondContact OD1-OG1 3.16Å; D293-T295 PolarHBondContact OD2-OG1 2.87Å; T295-H297 PolarHBondContact O-N 2.82Å; T295-H297 PolarHBondContact OG1-CE1 2.95Å; T295-H297 PolarHBondContact OG1-ND1 2.92Å |
| 296 | G | 90.8 | Very high | 93.5 | Very high | 34 Ų | 34 | 62 Ų | 62 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | | | trans | 86.5 | -7.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | R292 D293 | R292-G296 PolarHBondContact NH1-O 3.13Å; D293-G296 PolarHBondContact O-N 3.43Å; D293-G296 PolarHBondContact OD1-N 2.94Å |
| 297 | H | 93.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 61.1 Ų | 61.1 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | | | trans | -67.3 | 145.8 | -175.4 | -54.7 | 104.1 | 0 | 0 | 0 | 112.4 | V280 R292 D293 T295 L299 | V280-H297 HydrophobicContact CG1-CB 3.95Å; V280-H297 HydrophobicContact CG2-CB 3.83Å; R292-H297 VanDerWaalsContact CA-O 3.28Å; R292-H297 WeakPolarHBondContact CA-O 3.35Å; D293-H297 PolarHBondContact N-O 3.3Å; D293-H297 VanDerWaalsContact N-O 3.16Å; D293-H297 IonicContact OD1-CG 3.83Å; D293-H297 PolarHBondContact OD1-N 2.9Å; D293-H297 IonicContact OD1-ND1 3.29Å; D293-H297 PolarHBondContact OD1-ND1 3.49Å; D293-H297 WeakPolarHBondContact OD2-CB 3.41Å; D293-H297 IonicContact OD2-CG 3.54Å; D293-H297 IonicContact OD2-ND1 2.92Å; D293-H297 PolarHBondContact OD2-ND1 3.27Å; T295-H297 PolarHBondContact O-N 2.82Å; T295-H297 PolarHBondContact OG1-CE1 2.95Å; T295-H297 PolarHBondContact OG1-ND1 2.92Å; H297-L299 PolarHBondContact O-N 3.48Å |
| 298 | Y | 94.8 | Very high | 93.6 | Very high | 78 Ų | 78 | 68.4 Ų | 68.4 | 31% | 0.306 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.8 | 175.5 | -62.6 | -74.7 | 0 | 0 | 0 | 111.8 | R277 C279 V280 R292 | R277-Y298 HydrophobicContact CG-CD1 4.41Å; R277-Y298 HydrophobicContact CG-CD2 4.31Å; R277-Y298 HydrophobicContact CG-CE1 4.39Å; R277-Y298 HydrophobicContact CG-CE2 4.29Å; R277-Y298 HydrophobicContact CG-CG 4.37Å; C279-Y298 WeakPolarHBondContact CA-O 3.38Å; V280-Y298 PolarHBondContact N-O 3.4Å; R292-Y298 VanDerWaalsContact NH1-CE1 3.3Å; R292-Y298 VanDerWaalsContact NH1-CZ 3.27Å; R292-Y298 PolarHBondContact NH1-OH 2.95Å; R292-Y298 PolarHBondContact NH2-OH 2.93Å |
| 299 | L | 94.7 | Very high | 93.4 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141.2 | 170 | -67.8 | 175.4 | 0 | 0 | 0 | 109.7 | V280 N281 R291 D293 H297 C303 | V280-L299 HydrophobicContact CG2-CD2 3.66Å; V280-L299 HydrophobicContact CG2-CG 4.5Å; N281-L299 HydrophobicContact CB-CD2 3.95Å; R291-L299 HydrophobicContact CB-CB 4.49Å; R291-L299 PolarHBondContact N-O 3.1Å; R291-L299 PolarHBondContact O-N 3.43Å; D293-L299 HydrophobicContact CB-CD1 4.08Å; H297-L299 PolarHBondContact O-N 3.48Å; L299-C303 HydrophobicContact CD2-CB 4.22Å |
| 300 | C | 95.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 157.7 | 168 | 72.6 | 0 | 0 | 0 | 0 | 110.5 | C279 C282 A284 T287 A302 C303 G304 | C279-C300 HydrophobicContact CB-CB 3.9Å; C279-C300 PolarHBondContact SG-N 3.5Å; C282-C300 PolarHBondContact SG-SG 3.18Å; A284-C300 HydrophobicContact CB-CB 4.28Å; T287-C300 HydrophobicContact CG2-CB 4.12Å; T287-C300 WeakPolarHBondContact OG1-CB 3.25Å; C300-A302 VanDerWaalsContact C-N 3.27Å; C300-A302 PolarHBondContact O-N 3.47Å; C300-A302 VanDerWaalsContact O-N 3.13Å; C300-C303 PolarHBondContact O-N 2.9Å; C300-C303 PolarHBondContact SG-SG 2.87Å; C300-G304 PolarHBondContact O-N 2.8Å |
| 301 | N | 95.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 67.8 Ų | 67.8 | 21% | 0.214 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -48.2 | -48.4 | -174.5 | -169.4 | 30.8 | 0 | 0 | 0 | 112.7 | T287 P288 L289 R291 C303 G304 L305 | T287-N301 PolarHBondContact OG1-N 2.98Å; P288-N301 HydrophobicContact CG-CB 4.4Å; L289-N301 HydrophobicContact CB-CB 4.14Å; L289-N301 WeakPolarHBondContact O-CA 3.42Å; L289-N301 WeakPolarHBondContact O-CB 3.45Å; L289-N301 PolarHBondContact O-N 3.29Å; R291-N301 VanDerWaalsContact CZ-OD1 3.3Å; R291-N301 PolarHBondContact NE-OD1 2.92Å; R291-N301 PolarHBondContact NH2-OD1 3.5Å; N301-C303 PolarHBondContact O-N 3.39Å; N301-G304 PolarHBondContact O-N 3.4Å; N301-L305 WeakPolarHBondContact O-CB 3.42Å; N301-L305 VanDerWaalsContact O-CG 3.29Å; N301-L305 WeakPolarHBondContact O-CG 3.28Å; N301-L305 PolarHBondContact O-N 3.22Å; N301-L305 WeakPolarHBondContact OD1-CD1 3.35Å |
| 302 | A | 94.1 | Very high | 92.9 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65 | -34 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | C300 Y306 | C300-A302 VanDerWaalsContact C-N 3.27Å; C300-A302 PolarHBondContact O-N 3.47Å; C300-A302 VanDerWaalsContact O-N 3.13Å; A302-Y306 VanDerWaalsContact O-CB 3.32Å; A302-Y306 WeakPolarHBondContact O-CB 3.38Å; A302-Y306 PolarHBondContact O-N 2.76Å |
| 303 | C | 94.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.014 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -79.6 | -37.4 | 177.8 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | N281 C282 L299 C300 N301 H307 | N281-C303 HydrophobicContact CB-CB 4.12Å; N281-C303 PolarHBondContact OD1-SG 2.98Å; C282-C303 VanDerWaalsContact SG-SG 3.64Å; L299-C303 HydrophobicContact CD2-CB 4.22Å; C300-C303 PolarHBondContact O-N 2.9Å; C300-C303 PolarHBondContact SG-SG 2.87Å; N301-C303 PolarHBondContact O-N 3.39Å; C303-H307 WeakPolarHBondContact O-CB 3.39Å; C303-H307 PolarHBondContact O-N 2.96Å |
| 304 | G | 95 | Very high | 92.6 | Very high | 11 Ų | 11 | 71.6 Ų | 71.6 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.5 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | C300 N301 K308 | C300-G304 PolarHBondContact O-N 2.8Å; N301-G304 PolarHBondContact O-N 3.4Å; G304-K308 WeakPolarHBondContact O-CB 3.41Å; G304-K308 PolarHBondContact O-N 2.84Å |
| 305 | L | 94.1 | Very high | 92.3 | Very high | 68 Ų | 68 | 71.3 Ų | 71.3 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 172.2 | -74.7 | 167.8 | 0 | 0 | 0 | 111.5 | N301 H307 K308 M309 | N301-L305 WeakPolarHBondContact O-CB 3.42Å; N301-L305 VanDerWaalsContact O-CG 3.29Å; N301-L305 WeakPolarHBondContact O-CG 3.28Å; N301-L305 PolarHBondContact O-N 3.22Å; N301-L305 WeakPolarHBondContact OD1-CD1 3.35Å; L305-H307 PolarHBondContact O-N 3.29Å; L305-K308 PolarHBondContact O-N 2.99Å; L305-M309 HydrophobicContact CB-CE 4.13Å; L305-M309 WeakPolarHBondContact O-CE 3.24Å; L305-M309 PolarHBondContact O-N 3.44Å |
| 306 | Y | 94.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 70.2 Ų | 70.2 | 24% | 0.239 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.7 | -169.8 | -81.6 | 0 | 0 | 0 | 111.7 | A302 K308 M309 N310 Q312 R314 P315 | A302-Y306 VanDerWaalsContact O-CB 3.32Å; A302-Y306 WeakPolarHBondContact O-CB 3.38Å; A302-Y306 PolarHBondContact O-N 2.76Å; Y306-K308 VanDerWaalsContact C-N 3.31Å; Y306-K308 PolarHBondContact O-N 3.38Å; Y306-M309 PolarHBondContact O-N 3.48Å; Y306-N310 HydrophobicContact CD1-CB 4.17Å; Y306-N310 VanDerWaalsContact CD2-OD1 3.23Å; Y306-N310 WeakPolarHBondContact CD2-OD1 3.41Å; Y306-N310 HydrophobicContact CE1-CB 3.79Å; Y306-N310 WeakPolarHBondContact CE2-OD1 3.43Å; Y306-N310 VanDerWaalsContact CZ-OD1 3.25Å; Y306-N310 WeakPolarHBondContact O-CB 3.43Å; Y306-N310 PolarHBondContact O-N 3.06Å; Y306-N310 PolarHBondContact O-OD1 3.33Å; Y306-Q312 WeakPolarHBondContact CD1-O 3.37Å; Y306-R314 HydrophobicContact CD1-CB 3.71Å; Y306-R314 HydrophobicContact CD1-CG 4.15Å; Y306-R314 HydrophobicContact CD2-CB 4.37Å; Y306-R314 HydrophobicContact CD2-CG 3.89Å; Y306-R314 HydrophobicContact CE1-CB 4.3Å; Y306-R314 HydrophobicContact CE2-CG 4.38Å; Y306-R314 HydrophobicContact CG-CB 3.75Å; Y306-R314 HydrophobicContact CG-CG 3.76Å; Y306-P315 VanDerWaalsContact CZ-CD 3.44Å; Y306-P315 WeakPolarHBondContact OH-CD 3.43Å |
| 307 | H | 93 | Very high | 91.1 | Very high | 78 Ų | 78 | 76.5 Ų | 76.5 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.4 | -35 | 176.8 | -169.5 | -70.6 | 0 | 0 | 0 | 112.6 | C303 L305 G311 Q312 | C303-H307 WeakPolarHBondContact O-CB 3.39Å; C303-H307 PolarHBondContact O-N 2.96Å; L305-H307 PolarHBondContact O-N 3.29Å; H307-G311 WeakPolarHBondContact O-CA 3.45Å; H307-G311 PolarHBondContact O-N 3.29Å; H307-G311 VanDerWaalsContact O-N 3.14Å; H307-Q312 WeakPolarHBondContact CA-O 3.29Å |
| 308 | K | 92.3 | Very high | 90 | Very high | 185 Ų | 185 | 80.8 Ų | 80.8 | 80% | 0.804 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68 | -41.3 | 175 | -169 | -174.9 | 176.3 | -170.8 | 0 | 112.1 | G304 L305 Y306 | G304-K308 WeakPolarHBondContact O-CB 3.41Å; G304-K308 PolarHBondContact O-N 2.84Å; L305-K308 PolarHBondContact O-N 2.99Å; Y306-K308 VanDerWaalsContact C-N 3.31Å; Y306-K308 PolarHBondContact O-N 3.38Å |
| 309 | M | 89.2 | Confident | 88.4 | Confident | 133 Ų | 133 | 82.8 Ų | 82.8 | 66% | 0.655 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -85.3 | -33.5 | -174.8 | 77.8 | -177.5 | 72.3 | 0 | 0 | 114.1 | L305 Y306 | L305-M309 HydrophobicContact CB-CE 4.13Å; L305-M309 WeakPolarHBondContact O-CE 3.24Å; L305-M309 PolarHBondContact O-N 3.44Å; Y306-M309 PolarHBondContact O-N 3.48Å |
| 310 | N | 93.3 | Very high | 86.8 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -105 | -8.7 | -175.8 | -60 | 110.3 | 0 | 0 | 0 | 114 | Y306 Q312 | Y306-N310 HydrophobicContact CD1-CB 4.17Å; Y306-N310 VanDerWaalsContact CD2-OD1 3.23Å; Y306-N310 WeakPolarHBondContact CD2-OD1 3.41Å; Y306-N310 HydrophobicContact CE1-CB 3.79Å; Y306-N310 WeakPolarHBondContact CE2-OD1 3.43Å; Y306-N310 VanDerWaalsContact CZ-OD1 3.25Å; Y306-N310 WeakPolarHBondContact O-CB 3.43Å; Y306-N310 PolarHBondContact O-N 3.06Å; Y306-N310 PolarHBondContact O-OD1 3.33Å; N310-Q312 PolarHBondContact O-N 2.82Å; N310-Q312 VanDerWaalsContact O-N 3.07Å |
| 311 | G | 89.7 | Confident | 85 | Confident | 58 Ų | 58 | 95 Ų | 95 | 60% | 0.598 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 62.8 | 11.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H307 | H307-G311 WeakPolarHBondContact O-CA 3.45Å; H307-G311 PolarHBondContact O-N 3.29Å; H307-G311 VanDerWaalsContact O-N 3.14Å |
| 312 | Q | 90.7 | Very high | 83.1 | Confident | 136 Ų | 136 | 100.2 Ų | 100.2 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -133.3 | 165.6 | -173.2 | -66.8 | -164.6 | 19.8 | 0 | 0 | 112.3 | Y306 H307 N310 | Y306-Q312 WeakPolarHBondContact CD1-O 3.37Å; H307-Q312 WeakPolarHBondContact CA-O 3.29Å; N310-Q312 PolarHBondContact O-N 2.82Å; N310-Q312 VanDerWaalsContact O-N 3.07Å |
| 313 | N | 88.2 | Confident | 81.4 | Confident | 104 Ų | 104 | 103.9 Ų | 103.9 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 133.4 | 174.6 | -90 | -78.5 | 0 | 0 | 0 | 110.9 | N281 | N281-N313 WeakPolarHBondContact ND2-CB 3.4Å; N281-N313 PolarHBondContact ND2-OD1 2.88Å |
| 314 | R | 89 | Confident | 79.5 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 43% | 0.426 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -57 | 125.8 | 178.7 | -168.2 | 171.6 | -173.6 | -111.1 | 2.6 | 110.7 | N281 Y306 L316 | N281-R314 PolarHBondContact ND2-N 3.38Å; N281-R314 PolarHBondContact ND2-O 3.31Å; Y306-R314 HydrophobicContact CD1-CB 3.71Å; Y306-R314 HydrophobicContact CD1-CG 4.15Å; Y306-R314 HydrophobicContact CD2-CB 4.37Å; Y306-R314 HydrophobicContact CD2-CG 3.89Å; Y306-R314 HydrophobicContact CE1-CB 4.3Å; Y306-R314 HydrophobicContact CE2-CG 4.38Å; Y306-R314 HydrophobicContact CG-CB 3.75Å; Y306-R314 HydrophobicContact CG-CG 3.76Å; R314-L316 WeakPolarHBondContact O-CD1 3.3Å; R314-L316 PolarHBondContact O-N 2.67Å |
| 315 | P | 84.7 | Confident | 77.7 | Confident | 80 Ų | 80 | 108.2 Ų | 108.2 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 130.7 | 176.3 | 27 | -32.9 | 0 | 0 | 0 | 110.2 | Y306 I317 | Y306-P315 VanDerWaalsContact CZ-CD 3.44Å; Y306-P315 WeakPolarHBondContact OH-CD 3.43Å; P315-I317 PolarHBondContact O-N 3.12Å |
| 316 | L | 81.4 | Confident | 75.8 | Confident | 65 Ų | 65 | 106 Ų | 106 | 34% | 0.34 | 53% | 0.534 | S | S | . | . | | | trans | -93.4 | 97 | 177.8 | -93.3 | 71.6 | 0 | 0 | 0 | 110.1 | N281 C282 R314 K318 K320 | N281-L316 WeakPolarHBondContact OD1-CD1 3.19Å; C282-L316 HydrophobicContact CB-CD1 4.06Å; C282-L316 HydrophobicContact CB-CD2 4.18Å; C282-L316 HydrophobicContact CB-CG 4.46Å; R314-L316 WeakPolarHBondContact O-CD1 3.3Å; R314-L316 PolarHBondContact O-N 2.67Å; L316-K318 PolarHBondContact O-N 2.96Å; L316-K318 VanDerWaalsContact O-N 3.1Å; L316-K320 HydrophobicContact CD2-CB 3.74Å; L316-K320 HydrophobicContact CD2-CD 4.35Å; L316-K320 HydrophobicContact CD2-CG 4.3Å |
| 317 | I | 75.1 | Confident | 74 | Confident | 165 Ų | 165 | 112.1 Ų | 112.1 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -53.7 | -29.3 | 178.5 | -60.9 | 169.5 | 0 | 0 | 0 | 112.4 | P315 | P315-I317 PolarHBondContact O-N 3.12Š|
| 318 | K | 70.8 | Confident | 72.6 | Confident | 181 Ų | 181 | 116.2 Ų | 116.2 | 79% | 0.787 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -114.6 | 123 | 170.1 | -77.8 | 170.4 | 177.6 | 170.7 | 0 | 109.2 | L316 K320 | L316-K318 PolarHBondContact O-N 2.96Å; L316-K318 VanDerWaalsContact O-N 3.1Å; K318-K320 PolarHBondContact O-N 2.77Å |
| 319 | P | 60.4 | Low | 71.3 | Confident | 121 Ų | 121 | 112.2 Ų | 112.2 | 79% | 0.786 | 57% | 0.571 | S | S | * | * | | | trans | -51.6 | 128.1 | 179.7 | -30.1 | 36 | 0 | 0 | 0 | 112.3 | R321 | P319-R321 PolarHBondContact O-N 3.37Š|
| 320 | K | 60.8 | Low | 71 | Confident | 71 Ų | 71 | 109.9 Ų | 109.9 | 31% | 0.309 | 58% | 0.581 | S | S | . | * | | | trans | -54.2 | 94.9 | -175.9 | -176.6 | 172.7 | 149.7 | 80.5 | 0 | 111 | E278 C282 L316 K318 R322 | E278-K320 IonicContact OE2-NZ 2.8Å; E278-K320 PolarHBondContact OE2-NZ 2.96Å; C282-K320 WeakPolarHBondContact O-CD 3.46Å; C282-K320 PolarHBondContact O-NZ 3.23Å; L316-K320 HydrophobicContact CD2-CB 3.74Å; L316-K320 HydrophobicContact CD2-CD 4.35Å; L316-K320 HydrophobicContact CD2-CG 4.3Å; K318-K320 PolarHBondContact O-N 2.77Å; K320-R322 HydrophobicContact CD-CG 4.15Å; K320-R322 VanDerWaalsContact CE-CG 3.46Å; K320-R322 HydrophobicContact CG-CG 3.89Å; K320-R322 PolarHBondContact O-N 2.86Å |
| 321 | R | 58.3 | Low | 71 | Confident | 199 Ų | 199 | 107.7 Ų | 107.7 | 75% | 0.751 | 57% | 0.57 | S | S | * | * | | | trans | -62.1 | 83.6 | 155.9 | -90.2 | -171.5 | 66.2 | 101.3 | -4.1 | 107.3 | P319 L323 | P319-R321 PolarHBondContact O-N 3.37Å; R321-L323 VanDerWaalsContact C-N 3.35Å; R321-L323 PolarHBondContact O-N 2.98Å |
| 322 | R | 56.6 | Low | 71.2 | Confident | 150 Ų | 150 | 107.8 Ų | 107.8 | 57% | 0.566 | 56% | 0.561 | S | S | * | * | | | trans | -59 | 108.3 | 156.4 | -70.1 | -167.8 | 90.3 | -177.9 | 3.7 | 105.7 | E278 K320 S324 | E278-R322 IonicContact OE1-CZ 3.56Å; E278-R322 IonicContact OE1-NE 3.67Å; E278-R322 IonicContact OE1-NH2 2.67Å; E278-R322 PolarHBondContact OE1-NH2 2.93Å; E278-R322 IonicContact OE2-NE 3.74Å; E278-R322 IonicContact OE2-NH2 3.85Å; K320-R322 HydrophobicContact CD-CG 4.15Å; K320-R322 VanDerWaalsContact CE-CG 3.46Å; K320-R322 HydrophobicContact CG-CG 3.89Å; K320-R322 PolarHBondContact O-N 2.86Å; R322-S324 PolarHBondContact O-N 3Å |
| 323 | L | 57.4 | Low | 71.5 | Confident | 123 Ų | 123 | 101.3 Ų | 101.3 | 64% | 0.644 | 53% | 0.531 | S | S | * | . | | | trans | -67.1 | 63.4 | 152.8 | -68 | 166.7 | 0 | 0 | 0 | 107.5 | R321 | R321-L323 VanDerWaalsContact C-N 3.35Å; R321-L323 PolarHBondContact O-N 2.98Å |
| 324 | S | 56.3 | Low | 71.9 | Confident | 49 Ų | 49 | 99.1 Ų | 99.1 | 34% | 0.343 | 53% | 0.527 | S | S | . | . | | | trans | -65.8 | 166.4 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 109.4 | R322 A326 R327 | R322-S324 PolarHBondContact O-N 3Å; S324-A326 PolarHBondContact O-N 3.19Å; S324-R327 PolarHBondContact O-N 3.25Å |
| 325 | A | 55.4 | Low | 72.3 | Confident | 55 Ų | 55 | 95.2 Ų | 95.2 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -61.4 | 9.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R327 R328 W344 | A325-R327 PolarHBondContact O-N 3.27Å; A325-R328 HydrophobicContact CB-CG 4.34Å; A325-R328 PolarHBondContact O-N 3.45Å; A325-W344 PolarHBondContact O-NE1 3.42Å; A325-W344 VanDerWaalsContact O-NE1 3.16Å |
| 326 | A | 55.9 | Low | 72.9 | Confident | 22 Ų | 22 | 91.7 Ų | 91.7 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -51.9 | -25.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S324 T341 | S324-A326 PolarHBondContact O-N 3.19Å; A326-T341 WeakPolarHBondContact CB-O 3.38Å |
| 327 | R | 56.3 | Low | 73.6 | Confident | 190 Ų | 190 | 94.2 Ų | 94.2 | 72% | 0.717 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -110.9 | 50.4 | 171 | -59.1 | -158.3 | -51.8 | -174.5 | 6.7 | 113 | S324 A325 A329 | S324-R327 PolarHBondContact O-N 3.25Å; A325-R327 PolarHBondContact O-N 3.27Å; R327-A329 PolarHBondContact O-N 2.96Å |
| 328 | R | 62.3 | Low | 74.5 | Confident | 163 Ų | 163 | 87.7 Ų | 87.7 | 62% | 0.615 | 47% | 0.47 | S | S | * | . | | | trans | -67.6 | 114.8 | 152.3 | -76.8 | -178.1 | 176.4 | -178.1 | -1.6 | 107 | A325 G330 T331 | A325-R328 HydrophobicContact CB-CG 4.34Å; A325-R328 PolarHBondContact O-N 3.45Å; R328-G330 PolarHBondContact O-N 2.9Å; R328-T331 VanDerWaalsContact CB-OG1 3.27Å; R328-T331 WeakPolarHBondContact CB-OG1 3.38Å; R328-T331 PolarHBondContact O-N 3.28Å |
| 329 | A | 66.5 | Low | 75.5 | Confident | 102 Ų | 102 | 83 Ų | 83 | 84% | 0.843 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 140.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R327 T331 | R327-A329 PolarHBondContact O-N 2.96Å; A329-T331 PolarHBondContact O-N 2.97Å; A329-T331 VanDerWaalsContact O-N 3.16Å |
| 330 | G | 82.8 | Confident | 77 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 87% | 0.866 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -5.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | R328 C332 | R328-G330 PolarHBondContact O-N 2.9Å; G330-C332 PolarHBondContact O-N 3.26Å |
| 331 | T | 92.4 | Very high | 78.6 | Confident | 30 Ų | 30 | 77.3 Ų | 77.3 | 18% | 0.184 | 43% | 0.426 | C | S | . | . | | | trans | -81.1 | 115 | 177.5 | -48 | 0 | 0 | 0 | 0 | 111 | R328 A329 W344 P352 | R328-T331 VanDerWaalsContact CB-OG1 3.27Å; R328-T331 WeakPolarHBondContact CB-OG1 3.38Å; R328-T331 PolarHBondContact O-N 3.28Å; A329-T331 PolarHBondContact O-N 2.97Å; A329-T331 VanDerWaalsContact O-N 3.16Å; T331-W344 HydrophobicContact CG2-CD2 3.77Å; T331-W344 HydrophobicContact CG2-CE3 3.91Å; T331-W344 HydrophobicContact CG2-CH2 3.76Å; T331-W344 HydrophobicContact CG2-CZ2 3.58Å; T331-W344 HydrophobicContact CG2-CZ3 3.91Å; T331-W344 VanDerWaalsContact O-CH2 3.31Å; T331-W344 WeakPolarHBondContact O-CH2 3.4Å; T331-W344 VanDerWaalsContact O-CZ2 3.29Å; T331-W344 WeakPolarHBondContact O-CZ2 3.14Å; T331-P352 HydrophobicContact CG2-CB 3.86Å; T331-P352 HydrophobicContact CG2-CG 4.36Å |
| 332 | C | 94.8 | Very high | 80.1 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | | | trans | -112.9 | 165.8 | 171.4 | 67.2 | 0 | 0 | 0 | 0 | 111 | G330 T339 P352 | G330-C332 PolarHBondContact O-N 3.26Å; C332-T339 HydrophobicContact CB-CG2 4.18Å; C332-P352 WeakPolarHBondContact O-CG 3.23Å |
| 333 | C | 96.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | | | trans | -89.5 | 120.4 | 174.3 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | N335 C336 Q337 T338 W344 P352 C354 | C333-N335 PolarHBondContact O-N 3.24Å; C333-C336 PolarHBondContact O-N 3.3Å; C333-C336 VanDerWaalsContact SG-SG 3.65Å; C333-Q337 VanDerWaalsContact O-CA 3.25Å; C333-Q337 WeakPolarHBondContact O-CA 3.46Å; C333-Q337 PolarHBondContact O-N 3.19Å; C333-T338 WeakPolarHBondContact CB-O 3.25Å; C333-T338 PolarHBondContact N-O 2.77Å; C333-T338 VanDerWaalsContact N-O 3.1Å; C333-W344 HydrophobicContact CB-CZ3 4.2Å; C333-P352 WeakPolarHBondContact CA-O 3.3Å; C333-C354 HydrophobicContact CB-CB 3.99Å; C333-C354 PolarHBondContact SG-N 2.72Å |
| 334 | A | 97 | Very high | 83.6 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -26.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D351 P352 V353 | A334-D351 HydrophobicContact CB-CB 3.94Å; A334-P352 PolarHBondContact N-O 3.39Å; A334-V353 HydrophobicContact CB-CG1 4.32Å |
| 335 | N | 97.1 | Very high | 85.5 | Confident | 31 Ų | 31 | 67 Ų | 67 | 17% | 0.166 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -21.6 | -178.3 | 171.6 | -130.6 | 0 | 0 | 0 | 115.1 | C333 C357 N367 R368 L370 | C333-N335 PolarHBondContact O-N 3.24Å; N335-C357 HydrophobicContact CB-CB 4.27Å; N335-C357 WeakPolarHBondContact OD1-CB 3.17Å; N335-C357 PolarHBondContact OD1-SG 3.19Å; N335-N367 PolarHBondContact ND2-ND2 3.02Å; N335-R368 WeakPolarHBondContact OD1-CB 3.48Å; N335-R368 PolarHBondContact OD1-N 2.95Å; N335-L370 WeakPolarHBondContact O-CD2 3.31Å |
| 336 | C | 96.6 | Very high | 87.4 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.034 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142.7 | 11.2 | -175.6 | 75.7 | 0 | 0 | 0 | 0 | 115.3 | C333 T338 C357 L370 K373 | C333-C336 PolarHBondContact O-N 3.3Å; C333-C336 VanDerWaalsContact SG-SG 3.65Å; C336-T338 PolarHBondContact O-N 2.85Å; C336-T338 PolarHBondContact O-OG1 3.16Å; C336-T338 PolarHBondContact SG-OG1 3.08Å; C336-C357 VanDerWaalsContact SG-SG 3.61Å; C336-L370 HydrophobicContact CB-CD2 3.96Å; C336-K373 HydrophobicContact CB-CD 4.5Å; C336-K373 WeakPolarHBondContact O-CE 3.49Å; C336-K373 PolarHBondContact O-NZ 3.08Å |
| 337 | Q | 95.7 | Very high | 89.3 | Confident | 118 Ų | 118 | 75.1 Ų | 75.1 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | | | trans | 55.5 | -7.6 | -177.5 | -53.8 | 83.5 | 13.8 | 0 | 0 | 116.4 | C333 T339 | C333-Q337 VanDerWaalsContact O-CA 3.25Å; C333-Q337 WeakPolarHBondContact O-CA 3.46Å; C333-Q337 PolarHBondContact O-N 3.19Å; Q337-T339 PolarHBondContact O-N 3.2Å |
| 338 | T | 94 | Very high | 91.1 | Very high | 28 Ų | 28 | 70 Ų | 70 | 17% | 0.172 | 41% | 0.412 | C | S | . | . | | | trans | -53.1 | 120.7 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | C333 C336 T340 W344 | C333-T338 WeakPolarHBondContact CB-O 3.25Å; C333-T338 PolarHBondContact N-O 2.77Å; C333-T338 VanDerWaalsContact N-O 3.1Å; C336-T338 PolarHBondContact O-N 2.85Å; C336-T338 PolarHBondContact O-OG1 3.16Å; C336-T338 PolarHBondContact SG-OG1 3.08Å; T338-T340 WeakPolarHBondContact CG2-O 3.5Å; T338-W344 WeakPolarHBondContact O-CH2 3.35Å |
| 339 | T | 93.4 | Very high | 92.7 | Very high | 83 Ų | 83 | 69.1 Ų | 69.1 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | | | trans | -85.1 | -13 | 176.3 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | C332 Q337 W344 | C332-T339 HydrophobicContact CB-CG2 4.18Å; Q337-T339 PolarHBondContact O-N 3.2Å; T339-W344 WeakPolarHBondContact O-CZ2 3.44Å |
| 340 | T | 91.7 | Very high | 94 | Very high | 64 Ų | 64 | 65.3 Ų | 65.3 | 39% | 0.393 | 39% | 0.39 | S | S | . | . | | | trans | -113.1 | 110.8 | -174.3 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | T338 | T338-T340 WeakPolarHBondContact CG2-O 3.5Š|
| 341 | T | 92.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | | | trans | -140 | 151.4 | 178.6 | -166.4 | 0 | 0 | 0 | 0 | 113.2 | A326 L343 W344 C354 N355 | A326-T341 WeakPolarHBondContact CB-O 3.38Å; T341-L343 VanDerWaalsContact C-N 3.27Å; T341-L343 WeakPolarHBondContact CG2-O 3.33Å; T341-L343 PolarHBondContact O-N 2.74Å; T341-L343 PolarHBondContact OG1-O 3.49Å; T341-W344 HydrophobicContact CG2-CD2 3.4Å; T341-W344 VanDerWaalsContact CG2-CD2 3.4Å; T341-W344 VanDerWaalsContact CG2-CE2 3.49Å; T341-W344 HydrophobicContact CG2-CE3 3.76Å; T341-W344 HydrophobicContact CG2-CG 3.78Å; T341-W344 HydrophobicContact CG2-CH2 4.19Å; T341-W344 HydrophobicContact CG2-CZ2 3.9Å; T341-W344 HydrophobicContact CG2-CZ3 4.13Å; T341-C354 HydrophobicContact CG2-CB 4.4Å; T341-N355 PolarHBondContact OG1-N 2.86Å; T341-N355 VanDerWaalsContact OG1-N 3.08Å |
| 342 | T | 91.1 | Very high | 94.8 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 56% | 0.558 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -72.2 | -21.7 | 176 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | I377 | T342-I377 HydrophobicContact CG2-CD1 4.5Å; T342-I377 HydrophobicContact CG2-CG2 3.61Å |
| 343 | L | 92.5 | Very high | 94.9 | Very high | 87 Ų | 87 | 63 Ų | 63 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -158.2 | 129.8 | 175.6 | 172.9 | 64 | 0 | 0 | 0 | 109 | T341 R345 N355 | T341-L343 VanDerWaalsContact C-N 3.27Å; T341-L343 WeakPolarHBondContact CG2-O 3.33Å; T341-L343 PolarHBondContact O-N 2.74Å; T341-L343 PolarHBondContact OG1-O 3.49Å; L343-R345 HydrophobicContact CG-CG 4.49Å; L343-N355 HydrophobicContact CB-CB 4.12Å; L343-N355 WeakPolarHBondContact O-CB 3.46Å; L343-N355 PolarHBondContact O-N 3.14Å; L343-N355 VanDerWaalsContact O-N 3.08Å |
| 344 | W | 94.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 139.6 | 167.1 | -70.6 | 111 | 0 | 0 | 0 | 110.2 | A325 T331 C333 T338 T339 T341 P352 | A325-W344 PolarHBondContact O-NE1 3.42Å; A325-W344 VanDerWaalsContact O-NE1 3.16Å; T331-W344 HydrophobicContact CG2-CD2 3.77Å; T331-W344 HydrophobicContact CG2-CE3 3.91Å; T331-W344 HydrophobicContact CG2-CH2 3.76Å; T331-W344 HydrophobicContact CG2-CZ2 3.58Å; T331-W344 HydrophobicContact CG2-CZ3 3.91Å; T331-W344 VanDerWaalsContact O-CH2 3.31Å; T331-W344 WeakPolarHBondContact O-CH2 3.4Å; T331-W344 VanDerWaalsContact O-CZ2 3.29Å; T331-W344 WeakPolarHBondContact O-CZ2 3.14Å; C333-W344 HydrophobicContact CB-CZ3 4.2Å; T338-W344 WeakPolarHBondContact O-CH2 3.35Å; T339-W344 WeakPolarHBondContact O-CZ2 3.44Å; T341-W344 HydrophobicContact CG2-CD2 3.4Å; T341-W344 VanDerWaalsContact CG2-CD2 3.4Å; T341-W344 VanDerWaalsContact CG2-CE2 3.49Å; T341-W344 HydrophobicContact CG2-CE3 3.76Å; T341-W344 HydrophobicContact CG2-CG 3.78Å; T341-W344 HydrophobicContact CG2-CH2 4.19Å; T341-W344 HydrophobicContact CG2-CZ2 3.9Å; T341-W344 HydrophobicContact CG2-CZ3 4.13Å; W344-P352 HydrophobicContact CE3-CB 4.25Å; W344-P352 HydrophobicContact CZ3-CB 4.45Å |
| 345 | R | 95.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 172.9 | 174.1 | -65.1 | 179.6 | 177.7 | -82.1 | -4.1 | 109.1 | L343 V353 N355 | L343-R345 HydrophobicContact CG-CG 4.49Å; R345-V353 HydrophobicContact CB-CG2 3.87Å; R345-V353 PolarHBondContact N-O 2.85Å; R345-V353 PolarHBondContact O-N 2.73Å; R345-N355 PolarHBondContact NE-OD1 2.78Å; R345-N355 PolarHBondContact NH2-OD1 3.49Å |
| 346 | R | 96.3 | Very high | 95 | Very high | 192 Ų | 192 | 62.5 Ų | 62.5 | 73% | 0.725 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 149.4 | 164.7 | -63.6 | -175.3 | -176.3 | -92.7 | 12.4 | 110.3 | G350 D351 | R346-G350 VanDerWaalsContact CD-O 3.27Å; R346-G350 WeakPolarHBondContact CD-O 3.44Å; R346-G350 VanDerWaalsContact CG-O 3.3Å; R346-G350 WeakPolarHBondContact CG-O 3.27Å; R346-G350 PolarHBondContact NH1-O 3.46Å; R346-D351 VanDerWaalsContact CA-O 3.23Å; R346-D351 WeakPolarHBondContact CA-O 3.18Å |
| 347 | N | 95.1 | Very high | 95 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | | | trans | -80.4 | -172.4 | 163.2 | 66.9 | -2.3 | 0 | 0 | 0 | 110.1 | N349 G350 D351 V353 | N347-N349 VanDerWaalsContact C-N 3.3Å; N347-N349 PolarHBondContact O-N 3.48Å; N347-N349 PolarHBondContact OD1-N 3.03Å; N347-N349 VanDerWaalsContact OD1-N 3.16Å; N347-G350 PolarHBondContact O-N 3.32Å; N347-G350 PolarHBondContact OD1-N 3.3Å; N347-D351 PolarHBondContact N-O 3.32Å; N347-D351 VanDerWaalsContact N-O 3.17Å; N347-D351 PolarHBondContact ND2-OD2 3.17Å; N347-D351 PolarHBondContact OD1-N 2.9Å; N347-D351 PolarHBondContact OD1-OD2 3.36Å; N347-V353 HydrophobicContact CB-CG1 4.17Å |
| 348 | G | 94.9 | Very high | 95.1 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 87% | 0.866 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -35.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | G350 | G348-G350 PolarHBondContact O-N 3.11Š|
| 349 | N | 94.4 | Very high | 95.3 | Very high | 143 Ų | 143 | 60.1 Ų | 60.1 | 77% | 0.765 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -13.7 | 179.8 | -47.5 | 38.2 | 0 | 0 | 0 | 113 | N347 D351 | N347-N349 VanDerWaalsContact C-N 3.3Å; N347-N349 PolarHBondContact O-N 3.48Å; N347-N349 PolarHBondContact OD1-N 3.03Å; N347-N349 VanDerWaalsContact OD1-N 3.16Å; N349-D351 WeakPolarHBondContact CB-OD2 3.47Å |
| 350 | G | 94.7 | Very high | 95.5 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 24% | 0.237 | 33% | 0.33 | C | S | . | . | | | trans | 99 | -9.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R346 N347 G348 | R346-G350 VanDerWaalsContact CD-O 3.27Å; R346-G350 WeakPolarHBondContact CD-O 3.44Å; R346-G350 VanDerWaalsContact CG-O 3.3Å; R346-G350 WeakPolarHBondContact CG-O 3.27Å; R346-G350 PolarHBondContact NH1-O 3.46Å; N347-G350 PolarHBondContact O-N 3.32Å; N347-G350 PolarHBondContact OD1-N 3.3Å; G348-G350 PolarHBondContact O-N 3.11Å |
| 351 | D | 95.4 | Very high | 95.8 | Very high | 65 Ų | 65 | 61.1 Ų | 61.1 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | | | trans | -63.8 | 147.7 | -175.9 | -51.9 | -54 | 0 | 0 | 0 | 113.7 | A334 R346 N347 N349 V353 | A334-D351 HydrophobicContact CB-CB 3.94Å; R346-D351 VanDerWaalsContact CA-O 3.23Å; R346-D351 WeakPolarHBondContact CA-O 3.18Å; N347-D351 PolarHBondContact N-O 3.32Å; N347-D351 VanDerWaalsContact N-O 3.17Å; N347-D351 PolarHBondContact ND2-OD2 3.17Å; N347-D351 PolarHBondContact OD1-N 2.9Å; N347-D351 PolarHBondContact OD1-OD2 3.36Å; N349-D351 WeakPolarHBondContact CB-OD2 3.47Å; D351-V353 PolarHBondContact O-N 3.19Å |
| 352 | P | 96.3 | Very high | 96 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 123.8 | 173.1 | 28 | -34.3 | 0 | 0 | 0 | 112 | T331 C332 C333 A334 W344 | T331-P352 HydrophobicContact CG2-CB 3.86Å; T331-P352 HydrophobicContact CG2-CG 4.36Å; C332-P352 WeakPolarHBondContact O-CG 3.23Å; C333-P352 WeakPolarHBondContact CA-O 3.3Å; A334-P352 PolarHBondContact N-O 3.39Å; W344-P352 HydrophobicContact CE3-CB 4.25Å; W344-P352 HydrophobicContact CZ3-CB 4.45Å |
| 353 | V | 97.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 70.3 Ų | 70.3 | 5% | 0.048 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 148.3 | 171.2 | -59 | 0 | 0 | 0 | 0 | 111.8 | A334 R345 N347 D351 | A334-V353 HydrophobicContact CB-CG1 4.32Å; R345-V353 HydrophobicContact CB-CG2 3.87Å; R345-V353 PolarHBondContact N-O 2.85Å; R345-V353 PolarHBondContact O-N 2.73Å; N347-V353 HydrophobicContact CB-CG1 4.17Å; D351-V353 PolarHBondContact O-N 3.19Å |
| 354 | C | 96.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.054 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 160.2 | 178.5 | 82.9 | 0 | 0 | 0 | 0 | 111 | C333 T341 A356 C357 G358 | C333-C354 HydrophobicContact CB-CB 3.99Å; C333-C354 PolarHBondContact SG-N 2.72Å; T341-C354 HydrophobicContact CG2-CB 4.4Å; C354-A356 PolarHBondContact O-N 3.32Å; C354-A356 VanDerWaalsContact O-N 3.16Å; C354-C357 PolarHBondContact O-N 3.29Å; C354-C357 PolarHBondContact SG-N 3.16Å; C354-G358 PolarHBondContact O-N 3.35Å |
| 355 | N | 97.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 74.6 Ų | 74.6 | 15% | 0.15 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.3 | -30.7 | -179.3 | -175.1 | 66.1 | 0 | 0 | 0 | 114 | T341 L343 R345 L359 | T341-N355 PolarHBondContact OG1-N 2.86Å; T341-N355 VanDerWaalsContact OG1-N 3.08Å; L343-N355 HydrophobicContact CB-CB 4.12Å; L343-N355 WeakPolarHBondContact O-CB 3.46Å; L343-N355 PolarHBondContact O-N 3.14Å; L343-N355 VanDerWaalsContact O-N 3.08Å; R345-N355 PolarHBondContact NE-OD1 2.78Å; R345-N355 PolarHBondContact NH2-OD1 3.49Å; N355-L359 WeakPolarHBondContact ND2-CD1 3.4Å; N355-L359 WeakPolarHBondContact O-CB 3.45Å; N355-L359 WeakPolarHBondContact O-CD1 3.36Å; N355-L359 WeakPolarHBondContact O-CG 3.4Å; N355-L359 PolarHBondContact O-N 3.23Å |
| 356 | A | 97.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 74.5 Ų | 74.5 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -71.6 | -48.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C354 L359 Y360 | C354-A356 PolarHBondContact O-N 3.32Å; C354-A356 VanDerWaalsContact O-N 3.16Å; A356-L359 PolarHBondContact O-N 2.92Å; A356-Y360 WeakPolarHBondContact O-CB 3.29Å; A356-Y360 PolarHBondContact O-N 3.16Å |
| 357 | C | 97.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.034 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 178.6 | -63 | 0 | 0 | 0 | 0 | 112 | N335 C336 C354 L359 Y360 Y361 R368 | N335-C357 HydrophobicContact CB-CB 4.27Å; N335-C357 WeakPolarHBondContact OD1-CB 3.17Å; N335-C357 PolarHBondContact OD1-SG 3.19Å; C336-C357 VanDerWaalsContact SG-SG 3.61Å; C354-C357 PolarHBondContact O-N 3.29Å; C354-C357 PolarHBondContact SG-N 3.16Å; C357-L359 VanDerWaalsContact C-N 3.26Å; C357-L359 PolarHBondContact O-N 3.18Å; C357-Y360 PolarHBondContact O-N 2.88Å; C357-Y361 PolarHBondContact O-N 3.34Å; C357-R368 HydrophobicContact CB-CB 4.4Å |
| 358 | G | 97.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 69.7 Ų | 69.7 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71.3 | -14 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C354 | C354-G358 PolarHBondContact O-N 3.35Å |
| 359 | L | 97.5 | Very high | 97 | Very high | 80 Ų | 80 | 68 Ų | 68 | 42% | 0.419 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -88.5 | -40.7 | 167.9 | -75.3 | 174.5 | 0 | 0 | 0 | 111.7 | N355 A356 C357 K362 L363 | N355-L359 WeakPolarHBondContact ND2-CD1 3.4Å; N355-L359 WeakPolarHBondContact O-CB 3.45Å; N355-L359 WeakPolarHBondContact O-CD1 3.36Å; N355-L359 WeakPolarHBondContact O-CG 3.4Å; N355-L359 PolarHBondContact O-N 3.23Å; A356-L359 PolarHBondContact O-N 2.92Å; C357-L359 VanDerWaalsContact C-N 3.26Å; C357-L359 PolarHBondContact O-N 3.18Å; L359-K362 PolarHBondContact O-N 2.87Å; L359-L363 PolarHBondContact O-N 3.43Å |
| 360 | Y | 98.2 | Very high | 97.1 | Very high | 50 Ų | 50 | 66 Ų | 66 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 178 | -174.7 | -85 | 0 | 0 | 0 | 111.6 | A356 C357 K362 L363 H364 V366 N367 R368 P369 M372 | A356-Y360 WeakPolarHBondContact O-CB 3.29Å; A356-Y360 PolarHBondContact O-N 3.16Å; C357-Y360 PolarHBondContact O-N 2.88Å; Y360-K362 PolarHBondContact O-N 3.3Å; Y360-L363 PolarHBondContact O-N 2.77Å; Y360-H364 AromaticContact CD2-CD2 3.53Å; Y360-H364 AromaticContact CD2-NE2 3.98Å; Y360-H364 HydrophobicContact CE1-CB 4.21Å; Y360-H364 AromaticContact CE2-CD2 3.46Å; Y360-H364 VanDerWaalsContact CE2-CD2 3.46Å; Y360-H364 WeakPolarHBondContact CE2-CD2 3.43Å; Y360-H364 AromaticContact CE2-NE2 3.83Å; Y360-H364 AromaticContact CG-CD2 3.85Å; Y360-H364 AromaticContact CZ-CD2 3.72Å; Y360-H364 PolarHBondContact O-CD2 3.16Å; Y360-H364 PolarHBondContact O-N 2.77Å; Y360-V366 WeakPolarHBondContact CD1-O 3.27Å; Y360-V366 HydrophobicContact CE1-CG2 4.11Å; Y360-N367 WeakPolarHBondContact CE1-O 3.25Å; Y360-R368 VanDerWaalsContact CD1-CA 3.42Å; Y360-R368 HydrophobicContact CD1-CB 3.67Å; Y360-R368 HydrophobicContact CD1-CG 3.99Å; Y360-R368 HydrophobicContact CD2-CG 4.02Å; Y360-R368 HydrophobicContact CE1-CB 4.29Å; Y360-R368 HydrophobicContact CG-CB 3.84Å; Y360-R368 HydrophobicContact CG-CG 3.72Å; Y360-P369 WeakPolarHBondContact OH-CD 3.11Å; Y360-M372 HydrophobicContact CE2-SD 3.89Å |
| 361 | Y | 97.8 | Very high | 97.2 | Very high | 119 Ų | 119 | 71.3 Ų | 71.3 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -31.9 | 177 | -170.1 | -84 | 0 | 0 | 0 | 112.5 | C357 L363 N365 V366 | C357-Y361 PolarHBondContact O-N 3.34Å; Y361-L363 VanDerWaalsContact C-N 3.32Å; Y361-N365 WeakPolarHBondContact CE2-O 3.47Å; Y361-N365 WeakPolarHBondContact O-CA 3.49Å; Y361-N365 PolarHBondContact O-N 2.73Å; Y361-V366 WeakPolarHBondContact CA-O 3.15Å; Y361-V366 WeakPolarHBondContact CD2-O 3.49Å |
| 362 | K | 97.1 | Very high | 97.1 | Very high | 162 Ų | 162 | 72.8 Ų | 72.8 | 70% | 0.704 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -73.2 | -22.3 | 175.8 | 174.2 | 164.5 | -71.8 | -127.8 | 0 | 113.4 | L359 Y360 | L359-K362 PolarHBondContact O-N 2.87Å; Y360-K362 PolarHBondContact O-N 3.3Å |
| 363 | L | 97.8 | Very high | 97 | Very high | 131 Ų | 131 | 74.1 Ų | 74.1 | 69% | 0.686 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -97.7 | -31.2 | -178 | -177.2 | 60 | 0 | 0 | 0 | 113 | L359 Y360 Y361 | L359-L363 PolarHBondContact O-N 3.43Å; Y360-L363 PolarHBondContact O-N 2.77Å; Y361-L363 VanDerWaalsContact C-N 3.32Å |
| 364 | H | 97.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 80.3 Ų | 80.3 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -120.1 | -1.3 | -173.4 | -56.5 | -71.8 | 0 | 0 | 0 | 113.9 | Y360 V366 | Y360-H364 AromaticContact CD2-CD2 3.53Å; Y360-H364 AromaticContact CD2-NE2 3.98Å; Y360-H364 HydrophobicContact CE1-CB 4.21Å; Y360-H364 AromaticContact CE2-CD2 3.46Å; Y360-H364 VanDerWaalsContact CE2-CD2 3.46Å; Y360-H364 WeakPolarHBondContact CE2-CD2 3.43Å; Y360-H364 AromaticContact CE2-NE2 3.83Å; Y360-H364 AromaticContact CG-CD2 3.85Å; Y360-H364 AromaticContact CZ-CD2 3.72Å; Y360-H364 PolarHBondContact O-CD2 3.16Å; Y360-H364 PolarHBondContact O-N 2.77Å; H364-V366 HydrophobicContact CB-CG2 4.1Å; H364-V366 PolarHBondContact O-N 3.32Å |
| 365 | N | 97.1 | Very high | 96.4 | Very high | 122 Ų | 122 | 87.2 Ų | 87.2 | 65% | 0.652 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 56.2 | 2.3 | -176.1 | -72.8 | 59.8 | 0 | 0 | 0 | 116.6 | Y361 | Y361-N365 WeakPolarHBondContact CE2-O 3.47Å; Y361-N365 WeakPolarHBondContact O-CA 3.49Å; Y361-N365 PolarHBondContact O-N 2.73Å |
| 366 | V | 97.1 | Very high | 96 | Very high | 84 Ų | 84 | 88 Ų | 88 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -117.9 | 159.3 | 178.1 | -59 | 0 | 0 | 0 | 0 | 111.9 | Y360 Y361 H364 | Y360-V366 WeakPolarHBondContact CD1-O 3.27Å; Y360-V366 HydrophobicContact CE1-CG2 4.11Å; Y361-V366 WeakPolarHBondContact CA-O 3.15Å; Y361-V366 WeakPolarHBondContact CD2-O 3.49Å; H364-V366 HydrophobicContact CB-CG2 4.1Å; H364-V366 PolarHBondContact O-N 3.32Å |
| 367 | N | 96.9 | Very high | 95.6 | Very high | 103 Ų | 103 | 90 Ų | 90 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 145.5 | 178.7 | -78.7 | 69 | 0 | 0 | 0 | 112.4 | N335 Y360 P369 | N335-N367 PolarHBondContact ND2-ND2 3.02Å; Y360-N367 WeakPolarHBondContact CE1-O 3.25Å; N367-P369 WeakPolarHBondContact O-CD 3.45Å |
| 368 | R | 97.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 96.4 Ų | 96.4 | 17% | 0.166 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -72 | 123.1 | -179.3 | -168.8 | 175.7 | -176.5 | -81.5 | 0.2 | 109.9 | N335 C357 Y360 M372 | N335-R368 WeakPolarHBondContact OD1-CB 3.48Å; N335-R368 PolarHBondContact OD1-N 2.95Å; C357-R368 HydrophobicContact CB-CB 4.4Å; Y360-R368 VanDerWaalsContact CD1-CA 3.42Å; Y360-R368 HydrophobicContact CD1-CB 3.67Å; Y360-R368 HydrophobicContact CD1-CG 3.99Å; Y360-R368 HydrophobicContact CD2-CG 4.02Å; Y360-R368 HydrophobicContact CE1-CB 4.29Å; Y360-R368 HydrophobicContact CG-CB 3.84Å; Y360-R368 HydrophobicContact CG-CG 3.72Å; R368-M372 VanDerWaalsContact CZ-O 3.25Å; R368-M372 PolarHBondContact NH1-O 2.79Å; R368-M372 PolarHBondContact NH2-O 2.82Å |
| 369 | P | 97.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 102.3 Ų | 102.3 | 32% | 0.318 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 141.6 | -179.2 | 26.6 | -33.9 | 0 | 0 | 0 | 111 | Y360 N367 T371 M372 | Y360-P369 WeakPolarHBondContact OH-CD 3.11Å; N367-P369 WeakPolarHBondContact O-CD 3.45Å; P369-T371 PolarHBondContact O-N 2.93Å; P369-M372 HydrophobicContact CG-CG 3.97Å; P369-M372 HydrophobicContact CG-SD 3.81Å; P369-M372 PolarHBondContact O-N 3.44Å; P369-M372 VanDerWaalsContact O-N 3.14Å |
| 370 | L | 96.4 | Very high | 94.1 | Very high | 100 Ų | 100 | 108.8 Ų | 108.8 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -67.2 | -25 | -176.3 | -64.3 | -179.7 | 0 | 0 | 0 | 112.6 | N335 C336 M372 K373 | N335-L370 WeakPolarHBondContact O-CD2 3.31Å; C336-L370 HydrophobicContact CB-CD2 3.96Å; L370-M372 PolarHBondContact O-N 3.1Å; L370-M372 VanDerWaalsContact O-N 3.16Å; L370-K373 WeakPolarHBondContact O-CB 3.46Å; L370-K373 PolarHBondContact O-N 3.21Å |
| 371 | T | 96 | Very high | 93.3 | Very high | 134 Ų | 134 | 114.3 Ų | 114.3 | 82% | 0.822 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -56.9 | -26.2 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | P369 | P369-T371 PolarHBondContact O-N 2.93Š|
| 372 | M | 94.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 118.9 Ų | 118.9 | 48% | 0.478 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -88.4 | -0.6 | 174.9 | -59.5 | -178.4 | 84 | 0 | 0 | 113.3 | Y360 R368 P369 L370 K374 | Y360-M372 HydrophobicContact CE2-SD 3.89Å; R368-M372 VanDerWaalsContact CZ-O 3.25Å; R368-M372 PolarHBondContact NH1-O 2.79Å; R368-M372 PolarHBondContact NH2-O 2.82Å; P369-M372 HydrophobicContact CG-CG 3.97Å; P369-M372 HydrophobicContact CG-SD 3.81Å; P369-M372 PolarHBondContact O-N 3.44Å; P369-M372 VanDerWaalsContact O-N 3.14Å; L370-M372 PolarHBondContact O-N 3.1Å; L370-M372 VanDerWaalsContact O-N 3.16Å; M372-K374 PolarHBondContact O-N 3.19Å |
| 373 | K | 93.6 | Very high | 91.6 | Very high | 78 Ų | 78 | 120.8 Ų | 120.8 | 34% | 0.339 | 60% | 0.6 | S | S | . | * | | | trans | -66 | 132.4 | 177.2 | -177.2 | 177.7 | 170.1 | 174.4 | 0 | 108.9 | C336 L370 | C336-K373 HydrophobicContact CB-CD 4.5Å; C336-K373 WeakPolarHBondContact O-CE 3.49Å; C336-K373 PolarHBondContact O-NZ 3.08Å; L370-K373 WeakPolarHBondContact O-CB 3.46Å; L370-K373 PolarHBondContact O-N 3.21Å |
| 374 | K | 93.3 | Very high | 90.1 | Very high | 138 Ų | 138 | 121 Ų | 121 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | | | trans | -120.6 | 134.1 | 170.3 | -173.7 | 168.9 | -175.2 | 160.4 | 0 | 108.7 | M372 Q378 | M372-K374 PolarHBondContact O-N 3.19Å; K374-Q378 HydrophobicContact CD-CG 4.1Å |
| 375 | E | 88.4 | Confident | 88.2 | Confident | 154 Ų | 154 | 120.7 Ų | 120.7 | 72% | 0.72 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -68.3 | -39.8 | -173.5 | -158.7 | 54.5 | -149.1 | 0 | 0 | 112.5 | | |
| 376 | G | 88.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 119.9 Ų | 119.9 | 45% | 0.454 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -88 | 131.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q378 | G376-Q378 PolarHBondContact O-N 3.37Å; G376-Q378 VanDerWaalsContact O-N 3.12Å |
| 377 | I | 90.2 | Very high | 85.1 | Confident | 85 Ų | 85 | 124.9 Ų | 124.9 | 44% | 0.436 | 62% | 0.618 | S | S | . | * | | | trans | -63.8 | 110.6 | 165 | -60.9 | 178.6 | 0 | 0 | 0 | 108.8 | T342 T379 | T342-I377 HydrophobicContact CG2-CD1 4.5Å; T342-I377 HydrophobicContact CG2-CG2 3.61Å; I377-T379 PolarHBondContact O-N 3.25Å |
| 378 | Q | 88.9 | Confident | 83.2 | Confident | 141 Ų | 141 | 125 Ų | 125 | 66% | 0.659 | 63% | 0.627 | S | S | * | * | | | trans | -65.9 | 126.6 | 174.1 | -58.7 | -169.5 | 19 | 0 | 0 | 111 | K374 G376 | K374-Q378 HydrophobicContact CD-CG 4.1Å; G376-Q378 PolarHBondContact O-N 3.37Å; G376-Q378 VanDerWaalsContact O-N 3.12Å |
| 379 | T | 86.1 | Confident | 81.1 | Confident | 140 Ų | 140 | 131.1 Ų | 131.1 | 86% | 0.859 | 66% | 0.655 | S | S | * | * | | | trans | -81.5 | 145 | 166.1 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | I377 | I377-T379 PolarHBondContact O-N 3.25Š|
| 380 | R | 85.1 | Confident | 79 | Confident | 215 Ų | 215 | 138.8 Ų | 138.8 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | | | trans | -131.1 | 132.3 | 170 | 48.2 | 175.6 | 160.7 | 172.3 | -7.1 | 108.8 | R382 | R380-R382 PolarHBondContact O-N 3.16Š|
| 381 | N | 81.3 | Confident | 76.8 | Confident | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | | | trans | -62.5 | 127 | 179.3 | -167.5 | 1.8 | 0 | 0 | 0 | 109.2 | | |
| 382 | R | 78.8 | Confident | 74.9 | Confident | 214 Ų | 214 | 140.5 Ų | 140.5 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | | | trans | -97.2 | 103.2 | -178.5 | -66.7 | -172.4 | -176.4 | -163.3 | 1.2 | 108.3 | R380 M384 | R380-R382 PolarHBondContact O-N 3.16Å; R382-M384 PolarHBondContact O-N 3.49Å; R382-M384 VanDerWaalsContact O-N 3.13Å |
| 383 | K | 80.9 | Confident | 72.9 | Confident | 202 Ų | 202 | 147.6 Ų | 147.6 | 88% | 0.878 | 71% | 0.708 | S | S | * | * | | | trans | -51.2 | 122.4 | 163.1 | 63.9 | -174.6 | 179.3 | -175.5 | 0 | 108.3 | | |
| 384 | M | 65.6 | Low | 70.6 | Confident | 135 Ų | 135 | 147.5 Ų | 147.5 | 67% | 0.665 | 73% | 0.73 | S | S | * | * | | | trans | -63.3 | 139.3 | 177.9 | 65.4 | 79.2 | 76.6 | 0 | 0 | 108.5 | R382 N386 | R382-M384 PolarHBondContact O-N 3.49Å; R382-M384 VanDerWaalsContact O-N 3.13Å; M384-N386 PolarHBondContact O-N 2.75Å; M384-N386 PolarHBondContact SD-OD1 2.81Å; M384-N386 VanDerWaalsContact SD-OD1 3.39Å |
| 385 | S | 59.3 | Low | 68.7 | Low | 88 Ų | 88 | 143.8 Ų | 143.8 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | | | trans | -88 | 114.2 | -178.6 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | K387 | S385-K387 PolarHBondContact O-N 2.75Š|
| 386 | N | 64.4 | Low | 66.8 | Low | 106 Ų | 106 | 144.9 Ų | 144.9 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -64.7 | 3.8 | 177.4 | -84.1 | -45.3 | 0 | 0 | 0 | 114.4 | M384 S388 K389 | M384-N386 PolarHBondContact O-N 2.75Å; M384-N386 PolarHBondContact SD-OD1 2.81Å; M384-N386 VanDerWaalsContact SD-OD1 3.39Å; N386-S388 PolarHBondContact O-N 2.78Å; N386-K389 PolarHBondContact O-N 3.42Å |
| 387 | K | 63.4 | Low | 65 | Low | 188 Ų | 188 | 146.9 Ų | 146.9 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -53.5 | -29 | -177 | -163.8 | 70.9 | 170.7 | -178.4 | 0 | 113.6 | S385 | S385-K387 PolarHBondContact O-N 2.75Š|
| 388 | S | 57.8 | Low | 62.9 | Low | 105 Ų | 105 | 152.8 Ų | 152.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -83.1 | -3.7 | 179.5 | 48.2 | 0 | 0 | 0 | 0 | 115.4 | N386 | N386-S388 PolarHBondContact O-N 2.78Š|
| 389 | K | 54.4 | Low | 60.9 | Low | 173 Ų | 173 | 152.8 Ų | 152.8 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -87.3 | -22 | -178.2 | -140.7 | 173 | -173.5 | 179.4 | 0 | 113.9 | N386 G391 | N386-K389 PolarHBondContact O-N 3.42Å; K389-G391 VanDerWaalsContact C-N 3.27Å; K389-G391 PolarHBondContact O-N 2.8Å |
| 390 | K | 51.6 | Low | 58.9 | Low | 211 Ų | 211 | 154 Ų | 154 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 51.2 | 176 | -160.5 | -178.5 | 179.1 | 178.7 | 0 | 112.1 | | |
| 391 | G | 51 | Low | 57 | Low | 62 Ų | 62 | 151.1 Ų | 151.1 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.4 | 8.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K389 | K389-G391 VanDerWaalsContact C-N 3.27Å; K389-G391 PolarHBondContact O-N 2.8Å |
| 392 | R | 56.1 | Low | 55.5 | Low | 208 Ų | 208 | 147.5 Ų | 147.5 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -143.6 | 40.4 | 176 | -69.8 | -167 | 177.6 | -92.5 | -0.1 | 112.7 | | |
| 393 | R | 52 | Low | 53.7 | Low | 245 Ų | 245 | 145.4 Ų | 145.4 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | trans | -142.8 | 137.7 | 157.5 | -68.1 | -167.2 | -175.2 | -82.4 | 8.8 | 105.9 | | |
| 394 | G | 45.3 | Very low | 51.6 | Low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | 108.3 | 51.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 395 | G | 53.5 | Low | 50.6 | Low | 60 Ų | 60 | 142.2 Ų | 142.2 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | | | | -79.2 | 169.3 | 128.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 396 | D | 49.9 | Very low | 50.1 | Low | 177 Ų | 177 | 146 Ų | 146 | 95% | 0.947 | 77% | 0.767 | S | S | * | * | | | trans | 65.5 | 98.6 | 178.8 | -42.4 | -44.7 | 0 | 0 | 0 | 113.2 | | |
| 397 | G | 48.8 | Very low | 48.7 | Very low | 86 Ų | 86 | 147.9 Ų | 147.9 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | | | trans | 168.3 | 34.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 398 | Y | 46.3 | Very low | 47.6 | Very low | 209 Ų | 209 | 148.6 Ų | 148.6 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | | | trans | -114.5 | 114.2 | 166.8 | 105.3 | -87.7 | 0 | 0 | 0 | 107.5 | | |
| 399 | E | 47.6 | Very low | 46.5 | Very low | 140 Ų | 140 | 149 Ų | 149 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 168.8 | -8.9 | 165.3 | -104 | -58.9 | 98 | 0 | 0 | 111.6 | | |
| 400 | E | 44.6 | Very low | 45.9 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -113.6 | 45.3 | -177.5 | -162.7 | 132.7 | -121.2 | 0 | 0 | 113.6 | | |
| 401 | L | 45.4 | Very low | 45.8 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -127.5 | 2.7 | 168.9 | -160.8 | 58.6 | 0 | 0 | 0 | 113.4 | | |
| 402 | S | 49.5 | Very low | 44.8 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -97.8 | 2 | -174.1 | -50.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 403 | K | 39.5 | Very low | 43.9 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 74% | 0.735 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -110.7 | -0.9 | -168.1 | -78 | 177.2 | 178.1 | 166.7 | 0 | 116.3 | | |
| 404 | C | 38.4 | Very low | 43.1 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -93.8 | 1 | -176.9 | 59.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 405 | M | 44.2 | Very low | 42.6 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -101.8 | 1 | -176.4 | -81.2 | -154.4 | 68.7 | 0 | 0 | 115.8 | | |
| 406 | H | 48.4 | Very low | 41.7 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -134.6 | 63 | -172.8 | -62.5 | 116.2 | 0 | 0 | 0 | 113.6 | | |
| 407 | D | 35.9 | Very low | 41.3 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -159.6 | 90.1 | 141.9 | -154.8 | -79.1 | 0 | 0 | 0 | 112.7 | | |
| 408 | K | 39.6 | Very low | 40.7 | Very low | 202 Ų | 202 | 139 Ų | 139 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | trans | 179.9 | 138.6 | 131.6 | -101.4 | 161.3 | -176.4 | 170.3 | 0 | 112 | | |
| 409 | S | 35.3 | Very low | 40.1 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -92.7 | 154.5 | -177 | 41.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 410 | S | 41.3 | Very low | 39.7 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | 15.1 | 158.7 | 137.5 | -91.6 | 0 | 0 | 0 | 0 | 122 | | |
| 411 | P | 50.3 | Low | 39.2 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | cis | -137.2 | 145.6 | 16.9 | 36 | -17.1 | 0 | 0 | 0 | 117.3 | | |
| 412 | F | 29.2 | Very low | 38.9 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | | | | -163.8 | 151.5 | 112.1 | -127.1 | -93.5 | 0 | 0 | 0 | 109.9 | | |
| 413 | S | 36.8 | Very low | 38.3 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -154.1 | 146.4 | -177.3 | -75.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 414 | A | 36.4 | Very low | 38.2 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | 57.8 | 101.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 415 | A | 34.6 | Very low | 37.9 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -154.8 | 148.1 | 133.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 416 | S | 34.1 | Very low | 37.6 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | cis | 176.9 | 129 | -28.1 | -107.8 | 0 | 0 | 0 | 0 | 105 | | |
| 417 | L | 40.7 | Very low | 37.2 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | 56 | 117.2 | 150.9 | -63.3 | 165.2 | 0 | 0 | 0 | 121.6 | | |
| 418 | A | 37.6 | Very low | 37.9 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | 63.4 | 157.3 | 134.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 419 | G | 32.8 | Very low | 38.4 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | 119.6 | 72.8 | 161 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 420 | H | 39.1 | Very low | 38.4 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | | | trans | 25 | 130.8 | 130.7 | -149.7 | -129.5 | 0 | 0 | 0 | 121.6 | | |
| 421 | M | 33.8 | Very low | 38.2 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | trans | 95.4 | 125.2 | 137.1 | -107.8 | -172.8 | 179 | 0 | 0 | 124.1 | | |
| 422 | T | 38.8 | Very low | 37.7 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | | | trans | 70 | 116 | 137.7 | 41.2 | 0 | 0 | 0 | 0 | 125.2 | | |
| 423 | H | 37.1 | Very low | 37.9 | Very low | 171 Ų | 171 | 132 Ų | 132 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | | 99.8 | 150.5 | 119.8 | -158.3 | -92.5 | 0 | 0 | 0 | 121.1 | | |
| 424 | M | 37.3 | Very low | 37.8 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | -57.7 | 156.8 | -171 | -43 | -73 | -159.8 | 0 | 0 | 116.1 | | |
| 425 | G | 32.9 | Very low | 38.3 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | 168.8 | 106.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 426 | H | 37.7 | Very low | 38.4 | Very low | 184 Ų | 184 | 138 Ų | 138 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | trans | 74.3 | 173.3 | 149.4 | -117.6 | -97.8 | 0 | 0 | 0 | 122.9 | | |
| 427 | L | 39.7 | Very low | 39.1 | Very low | 144 Ų | 144 | 141 Ų | 141 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | | | trans | -145.8 | 177 | -151 | -64.9 | 172.7 | 0 | 0 | 0 | 110.8 | | |
| 428 | P | 50.8 | Low | 39.7 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | cis | -127.1 | -118.4 | -26.7 | 25.6 | 0.8 | 0 | 0 | 0 | 113.8 | | |
| 429 | P | 50.4 | Low | 39.9 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | | | | -132 | 162.2 | -120.1 | 42.1 | -23.3 | 0 | 0 | 0 | 117.7 | | |
| 430 | F | 34.8 | Very low | 40.8 | Very low | 214 Ų | 214 | 142.6 Ų | 142.6 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | | | trans | -146.4 | 148.9 | 160.9 | -84.7 | -72.4 | 0 | 0 | 0 | 114.1 | | |
| 431 | S | 36.4 | Very low | 41.4 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | -99 | 153.6 | -179 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 432 | H | 39.9 | Very low | 42.1 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 89% | 0.889 | 81% | 0.809 | S | S | * | * | | | trans | -139.7 | 144.4 | 159.7 | -81.1 | -67.2 | 0 | 0 | 0 | 113 | | |
| 433 | S | 34.3 | Very low | 42.3 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -88 | 165.7 | -177.4 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 434 | G | 34.9 | Very low | 42.6 | Very low | 83 Ų | 83 | 142 Ų | 142 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | -69.2 | 168.5 | -171 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 435 | H | 45.8 | Very low | 43.2 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | | | trans | -116.6 | 146 | 176.9 | -160.9 | -77.9 | 0 | 0 | 0 | 111 | | |
| 436 | M | 36.8 | Very low | 43.3 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | | | trans | -80.9 | 159.7 | -177 | -61.9 | -95.8 | 75.2 | 0 | 0 | 112.8 | | |
| 437 | L | 50.4 | Low | 43.5 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -119.7 | 133.6 | 166.2 | -71.9 | 173.8 | 0 | 0 | 0 | 109.7 | | |
| 438 | P | 52.3 | Low | 43.3 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 161.6 | 179.6 | 34.8 | -34.7 | 0 | 0 | 0 | 114.5 | | |
| 439 | T | 42.7 | Very low | 42.8 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 151.3 | -168.2 | -27.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 440 | P | 49.9 | Very low | 42.9 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 152 | 155.3 | 35 | -31 | 0 | 0 | 0 | 112.6 | | |
| 441 | T | 53.5 | Low | 43.1 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 164.9 | -163.6 | 35.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 442 | P | 48.7 | Very low | 43.2 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 162.5 | -165.3 | 39.7 | -35.9 | 0 | 0 | 0 | 115.7 | | |
| 443 | I | 41 | Very low | 43.3 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | trans | -140.6 | 137.1 | 164.1 | -53 | -179.6 | 0 | 0 | 0 | 109.3 | | |
| 444 | H | 44.3 | Very low | 43.7 | Very low | 150 Ų | 150 | 140 Ų | 140 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | | | trans | -88.5 | 163.2 | 178.7 | -143.2 | -119.4 | 0 | 0 | 0 | 111.5 | S446 | H444-S446 PolarHBondContact CE1-OG 3.1Å; H444-S446 PolarHBondContact ND1-OG 3Å |
| 445 | P | 49 | Very low | 44 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | | -145.9 | 173.2 | 96.1 | 37.8 | -21.1 | 0 | 0 | 0 | 115.4 | | |
| 446 | S | 35.3 | Very low | 43.9 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -91.4 | 167.8 | -165.2 | -53.1 | 0 | 0 | 0 | 0 | 115.8 | H444 | H444-S446 PolarHBondContact CE1-OG 3.1Å; H444-S446 PolarHBondContact ND1-OG 3Å |
| 447 | F | 42.5 | Very low | 44.4 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -64.1 | 155.7 | 168.7 | -75.7 | -104.5 | 0 | 0 | 0 | 113.2 | | |
| 448 | G | 35.2 | Very low | 44.2 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -156.9 | 118.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 449 | H | 41.8 | Very low | 43.8 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 133.5 | 170.4 | -77.8 | -88.4 | 0 | 0 | 0 | 109.8 | | |
| 450 | P | 51.6 | Low | 43.9 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 120.5 | 168.4 | 31.7 | -30.3 | 0 | 0 | 0 | 110.7 | | |
| 451 | H | 38.2 | Very low | 43.6 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 142.8 | 154.4 | -100.1 | -112.5 | 0 | 0 | 0 | 108.9 | | |
| 452 | H | 38.9 | Very low | 43.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 132.1 | 162.3 | 121.2 | -84.6 | 0 | 0 | 0 | 108.3 | | |
| 453 | S | 42.1 | Very low | 42.8 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | | | trans | -119.8 | 133.1 | 172.5 | -66.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 454 | N | 42.7 | Very low | 42.9 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | | | trans | -74.7 | 159.8 | 175.2 | -170.2 | 11.3 | 0 | 0 | 0 | 110.5 | | |
| 455 | M | 41.4 | Very low | 42.8 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 79% | 0.788 | 84% | 0.841 | S | S | * | * | | | trans | 166.1 | 109.4 | 143.4 | -91 | -66.1 | -81 | 0 | 0 | 111.9 | | |
| 456 | V | 44.6 | Very low | 42.4 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 70% | 0.697 | 84% | 0.842 | S | S | * | * | | | trans | 39.6 | 124.5 | 134.4 | 175.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 457 | T | 46.4 | Very low | 42.9 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 85% | 0.847 | 85% | 0.854 | S | S | * | * | | | | -158.1 | 146.7 | 119 | -74.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 458 | A | 47 | Very low | 43 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 71% | 0.711 | 85% | 0.854 | S | S | * | * | | | trans | -126.5 | 155.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 459 | M | 43.2 | Very low | 43.6 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 100% | 0.995 | 86% | 0.86 | S | S | * | * | | | trans | 154.1 | 136.3 | 162.3 | -87 | -73.7 | -176.3 | 0 | 0 | 107.2 | | |
| 460 | G | 45.4 | Very low | 43.8 | Very low | 154 Ų | 154 | 143 Ų | 143 | 100% | 1.588 | 87% | 0.867 | S | S | * | * | | | trans | 143.6 | 0 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |