| 1 | M | 35.2 | Very low | 34.7 | Very low | 229 Ų | 229 | 138.2 Ų | 138.2 | 100% | 1.128 | 80% | 0.799 | S | S | * | * | | | | 0 | 131.1 | 0 | -79.1 | 164 | 74 | 0 | 0 | 106.6 | | |
| 2 | K | 36.7 | Very low | 34.5 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | | 48 | 100.4 | 98.5 | -79.7 | -163.7 | 172.7 | -165.4 | 0 | 111.4 | | |
| 3 | S | 36 | Very low | 34.4 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | | | | 90.8 | 169.6 | 68 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 4 | E | 35 | Very low | 34.2 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | trans | 68.2 | 112 | 176.6 | -71.7 | 109.1 | 149.4 | 0 | 0 | 119 | | |
| 5 | V | 40.4 | Very low | 34.2 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | -62 | 136.5 | 136.9 | 172.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 6 | P | 40.5 | Very low | 34.3 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -120.9 | 162.2 | 154.1 | 37 | -26.6 | 0 | 0 | 0 | 112.3 | | |
| 7 | S | 35 | Very low | 34.2 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -114.8 | 157.9 | -171.4 | -55.1 | 0 | 0 | 0 | 0 | 114 | | |
| 8 | E | 30.1 | Very low | 33.8 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | 77.9 | 152.7 | 157.9 | -57.1 | -152.1 | 93.3 | 0 | 0 | 122.2 | | |
| 9 | A | 29.7 | Very low | 34.6 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | 85.1 | 82.9 | 153.1 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 10 | S | 34.2 | Very low | 34.4 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | | 79.7 | 134.5 | 129.2 | 78.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 11 | S | 29.2 | Very low | 34.2 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | 82.8 | 121.4 | 142.2 | -151.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 12 | R | 32.2 | Very low | 33.8 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | | | trans | 63.7 | 116.9 | 149.8 | -78.6 | -172.9 | 103.2 | 153.6 | 4.9 | 123.5 | | |
| 13 | Q | 32.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | | | | 72.7 | 139.7 | 118.5 | -130.3 | -174.9 | -59.6 | 0 | 0 | 122 | | |
| 14 | E | 32.7 | Very low | 34.3 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | 84.2 | 93.2 | 157.7 | -49.4 | -153.8 | 117.6 | 0 | 0 | 122.9 | | |
| 15 | H | 33.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | | 69 | 134.7 | 116.2 | -141.2 | -139.8 | 0 | 0 | 0 | 124.1 | | |
| 16 | L | 35.8 | Very low | 33.8 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | | | trans | 104.5 | 110 | 154.4 | -58.9 | 177.5 | 0 | 0 | 0 | 122.6 | | |
| 17 | K | 33.2 | Very low | 33.6 | Very low | 160 Ų | 160 | 140 Ų | 140 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | | | | 52.9 | 120.1 | 129.3 | -73.1 | 176.4 | 162 | -83.9 | 0 | 125 | | |
| 18 | E | 26.6 | Very low | 33.3 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | | 58.5 | 166 | 121.9 | -60 | -178.2 | 94.6 | 0 | 0 | 121.5 | | |
| 19 | P | 49.3 | Very low | 33.7 | Very low | 102 Ų | 102 | 133 Ų | 133 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | | | | -143.4 | 170.8 | -57.3 | 44.1 | -27.7 | 0 | 0 | 0 | 116.8 | | |
| 20 | L | 30.1 | Very low | 33.9 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | | | trans | 76 | 147.5 | 141.8 | -127.8 | 77.5 | 0 | 0 | 0 | 124.6 | | |
| 21 | V | 30.4 | Very low | 33.7 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | | | trans | 104.5 | 143.3 | 155.4 | -172.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 22 | N | 27 | Very low | 34.1 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | trans | -80.2 | -167.5 | -173.6 | -127.9 | 3.5 | 0 | 0 | 0 | 114 | | |
| 23 | P | 52.5 | Low | 35.3 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | | | cis | -139.6 | 177.9 | -7.3 | 41.2 | -21.8 | 0 | 0 | 0 | 117.7 | | |
| 24 | E | 29.8 | Very low | 35.5 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | 59.3 | 171.5 | 148.2 | -78.3 | -156.7 | 71.7 | 0 | 0 | 123.2 | | |
| 25 | S | 32.3 | Very low | 35.6 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | | | cis | -170.4 | -176.5 | -38.4 | 68.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 26 | M | 33.8 | Very low | 35.6 | Very low | 153 Ų | 153 | 138 Ų | 138 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | 69 | 117 | 161.5 | -72.2 | -65.2 | -78.1 | 0 | 0 | 125 | | |
| 27 | D | 35.5 | Very low | 36 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | 74.8 | 152.2 | 132.9 | -125.9 | -34.1 | 0 | 0 | 0 | 125.6 | | |
| 28 | G | 28.2 | Very low | 36.2 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 156.9 | 119.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 29 | A | 38.6 | Very low | 36.5 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | trans | -142 | 163.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 30 | K | 34.2 | Very low | 35.7 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | | | trans | 173.6 | 129.6 | 148.6 | -94.7 | 146.6 | -164.9 | 169.2 | 0 | 118 | | |
| 31 | N | 30 | Very low | 36 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | 67.9 | 147.9 | 136.1 | -58.8 | 3.4 | 0 | 0 | 0 | 125.7 | | |
| 32 | F | 37.1 | Very low | 36.1 | Very low | 204 Ų | 204 | 137.9 Ų | 137.9 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | -151 | -161.1 | 178.5 | -47.3 | -69.9 | 0 | 0 | 0 | 109 | | |
| 33 | P | 57.6 | Low | 36.3 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | cis | -141.9 | -158.7 | -9.9 | 44.2 | -23.1 | 0 | 0 | 0 | 115.9 | | |
| 34 | N | 37.6 | Very low | 35.1 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | trans | 72.2 | 130.7 | 151.1 | -78.7 | 27.1 | 0 | 0 | 0 | 124.7 | | |
| 35 | N | 34.6 | Very low | 35.4 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | | 170.6 | -169.3 | 104 | -93.5 | -36.7 | 0 | 0 | 0 | 115.5 | | |
| 36 | M | 33 | Very low | 35.1 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | | | trans | -139.1 | 148.5 | -150.9 | -179.3 | 178.2 | 76.7 | 0 | 0 | 115.3 | | |
| 37 | E | 44.5 | Very low | 34.9 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | 34.7 | 154.1 | 162.1 | -67.8 | -166.1 | 122.6 | 0 | 0 | 124.8 | | |
| 38 | V | 37.3 | Very low | 34.7 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | 146.6 | 148.3 | 133.9 | 164 | 0 | 0 | 0 | 0 | 115.7 | | |
| 39 | L | 33.6 | Very low | 34.9 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | 74.1 | 153.5 | 171.6 | -75.5 | 155.7 | 0 | 0 | 0 | 118.6 | | |
| 40 | G | 31.8 | Very low | 34.3 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | cis | -172.3 | -177.9 | 2.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 41 | K | 35.9 | Very low | 33.9 | Very low | 213 Ų | 213 | 144 Ų | 144 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | | | trans | -81.9 | 173.3 | -176.4 | -83.3 | 177.7 | 178.7 | 176.1 | 0 | 114.1 | | |
| 42 | A | 34.1 | Very low | 33.8 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | cis | -177 | -172.8 | -17.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 43 | A | 29.6 | Very low | 33.3 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | 74.1 | 152.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 44 | S | 29.1 | Very low | 32 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | cis | -160.8 | 134.5 | -8.1 | 42.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 45 | D | 34.8 | Very low | 31.7 | Very low | 146 Ų | 146 | 148 Ų | 148 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | | 42.6 | 130 | 127.3 | -38.5 | -44.8 | 0 | 0 | 0 | 123.2 | | |
| 46 | F | 27.1 | Very low | 32 | Very low | 210 Ų | 210 | 145.8 Ų | 145.8 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | | -161.2 | 165.3 | 118.9 | -127.2 | -90.2 | 0 | 0 | 0 | 114.3 | | |
| 47 | E | 29.6 | Very low | 31.8 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -112 | 149.4 | -154.7 | 169.9 | -178.3 | -141.9 | 0 | 0 | 115.3 | | |
| 48 | A | 30.2 | Very low | 31.1 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -169.8 | 149.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 49 | L | 32.5 | Very low | 30.6 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -142.6 | 150.8 | 179.3 | -96.2 | 170.9 | 0 | 0 | 0 | 114.1 | | |
| 50 | C | 27.2 | Very low | 30.5 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | 33.3 | 124.2 | 156.3 | -69.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 51 | E | 25.1 | Very low | 30.2 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | | | | 164.1 | 169.8 | 117.7 | -87.6 | -151.2 | 120.2 | 0 | 0 | 110.3 | | |
| 52 | S | 26.8 | Very low | 29.9 | Very low | 74 Ų | 74 | 138.6 Ų | 138.6 | 52% | 0.517 | 76% | 0.755 | S | S | . | * | | | cis | -179.5 | 129.7 | -37.8 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 53 | R | 28 | Very low | 29.5 | Very low | 217 Ų | 217 | 142.3 Ų | 142.3 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | | | trans | 66.2 | 171 | 172.5 | -56.6 | 171.8 | 178.5 | -151.9 | -1.4 | 114 | | |
| 54 | H | 29.9 | Very low | 29.5 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | cis | -139.6 | -174.1 | 27.8 | -112.8 | -90.4 | 0 | 0 | 0 | 115.3 | | |
| 55 | R | 31.3 | Very low | 29.4 | Very low | 204 Ų | 204 | 148 Ų | 148 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | -101 | 148.9 | -153.9 | -133.2 | -165.7 | -167.8 | -153.7 | 6.3 | 115.9 | | |
| 56 | P | 40.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | -77 | 174.9 | 145 | -13.7 | 31 | 0 | 0 | 0 | 112.9 | | |
| 57 | L | 28.1 | Very low | 29.5 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | | | trans | -160.7 | 145.6 | -172.8 | -176.7 | 59.7 | 0 | 0 | 0 | 114.2 | | |
| 58 | R | 30.1 | Very low | 29.7 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | | | trans | 69.2 | 160.7 | 163.5 | -85.2 | 175.1 | -178.2 | -102.9 | 6 | 117 | | |
| 59 | D | 27.5 | Very low | 29.6 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 54% | 0.535 | 72% | 0.717 | S | S | . | * | | | cis | -156 | 170.6 | -6.3 | -131.2 | -30.3 | 0 | 0 | 0 | 113.1 | | |
| 60 | T | 31.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | | | trans | 60.4 | 158.9 | 159.4 | 51.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 61 | G | 25.5 | Very low | 29.7 | Very low | 53 Ų | 53 | 141.9 Ų | 141.9 | 55% | 0.546 | 72% | 0.721 | S | S | . | * | | | cis | 115.7 | 131.1 | -1.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 62 | T | 29.3 | Very low | 30 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | | | trans | 66.2 | 140 | -172.8 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 63 | H | 25 | Very low | 30.3 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | cis | 101.5 | 122.5 | 23.5 | 180 | -116.2 | 0 | 0 | 0 | 113.9 | | |
| 64 | R | 29.3 | Very low | 30.7 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | | | trans | 97.6 | 131.8 | 176.7 | -56.3 | -164.3 | 70.7 | -176.4 | -4.2 | 117.4 | S66 | R64-S66 PolarHBondContact NH2-OG 2.8Š|
| 65 | D | 27.2 | Very low | 30.9 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | cis | 96.9 | 154.7 | 19.2 | -178 | 54.1 | 0 | 0 | 0 | 115.3 | | |
| 66 | S | 33.9 | Very low | 31.2 | Very low | 65 Ų | 65 | 147 Ų | 147 | 46% | 0.455 | 74% | 0.743 | S | S | . | * | | | trans | 80.8 | 147.1 | 170.3 | -38.1 | 0 | 0 | 0 | 0 | 115 | R64 | R64-S66 PolarHBondContact NH2-OG 2.8Š|
| 67 | E | 30.5 | Very low | 30.8 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | | | cis | -125.4 | 177.8 | 7.4 | -49.5 | -162.2 | 115.1 | 0 | 0 | 111.4 | | |
| 68 | R | 33.5 | Very low | 30.9 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | cis | -161 | 137 | 21.1 | -176.3 | 158.3 | -92.8 | -105.9 | -10 | 114.2 | | |
| 69 | S | 29 | Very low | 31.4 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | | | trans | 58 | 131.6 | 161.1 | -59.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 70 | L | 31.6 | Very low | 31.8 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | | | cis | 73.7 | 138.9 | 39.5 | -57.4 | 172.9 | 0 | 0 | 0 | 113.8 | | |
| 71 | A | 30.1 | Very low | 31.7 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | cis | -153.7 | 173.3 | 20.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 72 | G | 30.3 | Very low | 32.1 | Very low | 75 Ų | 75 | 146.2 Ų | 146.2 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | 92.4 | 114.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 73 | R | 34 | Very low | 32.9 | Very low | 224 Ų | 224 | 145 Ų | 145 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | | | cis | 95.2 | 109 | 7 | -145.2 | -170.3 | -138.4 | -107.9 | 5.5 | 117.6 | | |
| 74 | R | 35.4 | Very low | 33.4 | Very low | 224 Ų | 224 | 141.8 Ų | 141.8 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | trans | 110.6 | 151.9 | 157.1 | -61.6 | 171.3 | -173.7 | -114 | 3.7 | 116.2 | | |
| 75 | K | 33.9 | Very low | 33.5 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | | | cis | 177.4 | 136.1 | -34.8 | 176.2 | 169.8 | -176.7 | 176.9 | 0 | 110.8 | | |
| 76 | R | 37.3 | Very low | 33.6 | Very low | 252 Ų | 252 | 138.9 Ų | 138.9 | 95% | 0.951 | 75% | 0.751 | S | S | * | * | | | trans | 150.5 | 159.8 | 156.4 | -84.7 | 152.7 | -164.5 | -132.2 | 5.3 | 108.8 | | |
| 77 | K | 32.5 | Very low | 33.5 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | cis | -157 | 148 | -30.8 | 168.9 | -171.9 | 171.5 | -169.2 | 0 | 103.8 | Q79 | K77-Q79 VanDerWaalsContact NZ-CD 3.27Š|
| 78 | G | 31.3 | Very low | 33.4 | Very low | 53 Ų | 53 | 138.3 Ų | 138.3 | 55% | 0.546 | 75% | 0.754 | S | S | . | * | | | cis | 123 | 132.7 | 4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 79 | Q | 39.9 | Very low | 33.3 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | trans | 113.4 | 144.5 | -167.4 | -76 | 166.6 | 179.2 | 0 | 0 | 110.8 | K77 | K77-Q79 VanDerWaalsContact NZ-CD 3.27Š|
| 80 | Q | 36.1 | Very low | 33.4 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | | | cis | -160.8 | -178.4 | -15.8 | -169.7 | 154.8 | -11.5 | 0 | 0 | 110.1 | | |
| 81 | A | 30.9 | Very low | 33.2 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | | | trans | -55.6 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 82 | G | 32.3 | Very low | 33.2 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | cis | 110.7 | 166.9 | 45.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 83 | P | 46.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | cis | -101.1 | -177.9 | 4.7 | 16.9 | 7.4 | 0 | 0 | 0 | 112.4 | | |
| 84 | S | 35.1 | Very low | 32.8 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | cis | 74.7 | 139.8 | 39.2 | 135.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 85 | D | 32.3 | Very low | 32.4 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | cis | -131.3 | -149.9 | 2.5 | -122.5 | -79.9 | 0 | 0 | 0 | 110.3 | | |
| 86 | C | 29.2 | Very low | 32.1 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | | | cis | -168.5 | 164.3 | 9.3 | -141.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 87 | S | 31.2 | Very low | 31.7 | Very low | 82 Ų | 82 | 124.5 Ų | 124.5 | 57% | 0.573 | 72% | 0.715 | S | S | * | * | | | cis | -174.5 | 134.3 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 88 | L | 29.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | | | trans | 57.6 | 158 | 158.2 | -63.6 | 167.7 | 0 | 0 | 0 | 119.1 | E90 | L88-E90 HydrophobicContact CD2-CG 4.22Š|
| 89 | K | 31.5 | Very low | 31.6 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 70% | 0.7 | 73% | 0.731 | S | S | * | * | | | cis | -143.1 | 147.7 | 17.3 | -124.3 | 129.2 | -175.3 | -170 | 0 | 109.5 | | |
| 90 | E | 30.2 | Very low | 31.7 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 60% | 0.598 | 73% | 0.733 | S | S | * | * | | | | 52.7 | 137 | 73.4 | -46.1 | 171.2 | 148.3 | 0 | 0 | 113.1 | L88 | L88-E90 HydrophobicContact CD2-CG 4.22Š|
| 91 | D | 27.2 | Very low | 31.4 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | | | cis | -162.9 | 158.7 | 0.2 | -121.7 | -3 | 0 | 0 | 0 | 115.3 | | |
| 92 | H | 30.4 | Very low | 31.3 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | | | trans | 22.7 | 169.8 | 147.6 | -75.5 | -63.3 | 0 | 0 | 0 | 126.7 | | |
| 93 | V | 27.5 | Very low | 31.1 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | trans | 86 | 142.2 | 164.4 | -167.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 94 | S | 27.7 | Very low | 30.2 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | cis | 159.2 | 158.6 | -40.6 | -83.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 95 | E | 27.3 | Very low | 29.9 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | 70.8 | 124.8 | 173.5 | -63.9 | -156.5 | 77 | 0 | 0 | 116.2 | | |
| 96 | N | 28.4 | Very low | 29.6 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | | 85.6 | 112.7 | 55.7 | -79.8 | -15.7 | 0 | 0 | 0 | 114.1 | | |
| 97 | S | 29 | Very low | 29.6 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | | 173 | 131.7 | 115.8 | -80.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 98 | L | 28.9 | Very low | 29.5 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | 38.7 | 126.3 | 133.4 | -56.3 | 170 | 0 | 0 | 0 | 121.5 | | |
| 99 | A | 31.9 | Very low | 30.1 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | -76 | 167.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 100 | P | 42.8 | Very low | 29.9 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | | -156.7 | -177.6 | 106.8 | 42.7 | -25.6 | 0 | 0 | 0 | 117.4 | | |
| 101 | Q | 30 | Very low | 30.1 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | 81.4 | 157.2 | 157.6 | -69.5 | -64.8 | -0.2 | 0 | 0 | 121 | | |
| 102 | R | 27.4 | Very low | 30.1 | Very low | 240 Ų | 240 | 144.4 Ų | 144.4 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | | | trans | -119.7 | 155.7 | -174.4 | -71.9 | 174.7 | 167.3 | 146.9 | -7.2 | 112.2 | | |
| 103 | A | 27.9 | Very low | 29.9 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | | | trans | -139.1 | 174 | 147.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 104 | R | 27.9 | Very low | 29.9 | Very low | 238 Ų | 238 | 144.8 Ų | 144.8 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | trans | -135.8 | 154.7 | -168.3 | 174.1 | -171.9 | 168.9 | 168.2 | -2.6 | 109.5 | | |
| 105 | V | 28.5 | Very low | 30.1 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | | | trans | 141 | 109.9 | 143.8 | 168.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 106 | E | 27.1 | Very low | 30.4 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 62.8 | 146.8 | 140.7 | -72.9 | 178.9 | 89.6 | 0 | 0 | 126.9 | | |
| 107 | L | 29.6 | Very low | 30.6 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | | | trans | 81.8 | 122.5 | 149.8 | -73.2 | 158.3 | 0 | 0 | 0 | 122.3 | | |
| 108 | L | 27.9 | Very low | 30.7 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | | | trans | -71.5 | 171.5 | 157.4 | -97.5 | 72.9 | 0 | 0 | 0 | 110.8 | | |
| 109 | P | 42.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | -136.9 | -171.6 | 18.7 | 38.6 | -18 | 0 | 0 | 0 | 116.7 | | |
| 110 | H | 28.6 | Very low | 30.7 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -50.3 | 157.4 | 167 | -65.5 | -88.8 | 0 | 0 | 0 | 114.5 | | |
| 111 | P | 33.7 | Very low | 30.3 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | | -133.5 | -167.4 | 94.9 | 40.5 | -31.4 | 0 | 0 | 0 | 114.1 | | |
| 112 | S | 26.5 | Very low | 30.2 | Very low | 88 Ų | 88 | 146.1 Ų | 146.1 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | | | trans | -110.2 | 167.4 | -173.5 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 113 | E | 26.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | 67.6 | 114.2 | 147.3 | -70.4 | 146.6 | 160.6 | 0 | 0 | 121.2 | | |
| 114 | D | 26.8 | Very low | 30.9 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | 76.6 | 132.4 | 133.4 | -70.8 | -50.8 | 0 | 0 | 0 | 124.5 | | |
| 115 | E | 33.1 | Very low | 31.1 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | | | trans | 62.3 | 158.6 | 154.5 | -65.4 | -161.4 | 109.4 | 0 | 0 | 118.3 | | |
| 116 | Q | 33.1 | Very low | 31.3 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | | | cis | -159.7 | 166.6 | -8.8 | -123.3 | -168 | 60.6 | 0 | 0 | 106.5 | | |
| 117 | N | 31.9 | Very low | 31.5 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | cis | -163.1 | -164 | -4.3 | -155.6 | -24 | 0 | 0 | 0 | 108.1 | | |
| 118 | N | 32.5 | Very low | 31.8 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | trans | 76.1 | 143.9 | 161.1 | -61.8 | 0.6 | 0 | 0 | 0 | 117.1 | | |
| 119 | E | 29.7 | Very low | 32.2 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | | | cis | -151.3 | 161.3 | 3.4 | -121.8 | 166.2 | 83.2 | 0 | 0 | 107.8 | | |
| 120 | S | 30.7 | Very low | 31.4 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | | | cis | -163.2 | -180 | 11 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 121 | S | 34.9 | Very low | 31.3 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | | | trans | 88.3 | 90.4 | 148 | -60.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 122 | F | 27.2 | Very low | 31 | Very low | 194 Ų | 194 | 124.4 Ų | 124.4 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | | | | 82.5 | 123.1 | 130 | -69 | -70.9 | 0 | 0 | 0 | 126.1 | | |
| 123 | S | 34 | Very low | 31 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | trans | 67.8 | 121.5 | 151.7 | 52.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 124 | D | 36.6 | Very low | 31.6 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | cis | 80.2 | 134.5 | 27.2 | -62.4 | -60.6 | 0 | 0 | 0 | 116 | | |
| 125 | C | 31 | Very low | 31.6 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | cis | -167.4 | 179.2 | -5.2 | -123 | 0 | 0 | 0 | 0 | 109 | | |
| 126 | A | 34.2 | Very low | 31.6 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | cis | -161.1 | 162.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 127 | S | 31.3 | Very low | 31.2 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | 28 | 124.9 | 146.5 | -56.4 | 0 | 0 | 0 | 0 | 125.8 | | |
| 128 | S | 34.3 | Very low | 31.1 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | | 18.1 | 142.1 | 127.5 | -55.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 129 | P | 36.8 | Very low | 30.9 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | | -155.3 | -160.2 | 69.4 | 44.4 | -23.3 | 0 | 0 | 0 | 117.5 | | |
| 130 | S | 25.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -72.2 | 156.2 | -172.8 | -46.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 131 | S | 27.6 | Very low | 31.1 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | 66.1 | 160 | 161.6 | 70.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 132 | S | 25.5 | Very low | 30.8 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | | -172.6 | -149.2 | 57 | -163.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 133 | L | 27.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | | | trans | -34 | 138.5 | 171.9 | -82.1 | 63.5 | 0 | 0 | 0 | 113.9 | | |
| 134 | R | 39.9 | Very low | 30.8 | Very low | 221 Ų | 221 | 128.3 Ų | 128.3 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | | 67 | 149.9 | 65.6 | -76.1 | -159.1 | -179.4 | -78.9 | 1.3 | 114.5 | | |
| 135 | F | 26.5 | Very low | 31 | Very low | 199 Ų | 199 | 128.5 Ų | 128.5 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | | | trans | 71.6 | 142.4 | -167.2 | -56.2 | -86.7 | 0 | 0 | 0 | 113.8 | | |
| 136 | G | 32.1 | Very low | 31.3 | Very low | 64 Ų | 64 | 131.9 Ų | 131.9 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | | | cis | 140.3 | 109.9 | -17.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 137 | D | 25.9 | Very low | 31.4 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | -155.5 | 153.7 | 173.5 | -87.5 | -57.1 | 0 | 0 | 0 | 109.4 | | |
| 138 | S | 29.8 | Very low | 31.5 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | | | cis | -164.1 | 174.3 | -26.6 | -105.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 139 | D | 28.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | 62.2 | 106.5 | 164.5 | -57.4 | -40.9 | 0 | 0 | 0 | 120.7 | | |
| 140 | T | 35.8 | Very low | 31.1 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | | | | -154.8 | 151.6 | 105.8 | 4.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 141 | L | 29.1 | Very low | 31.6 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | -98 | 160 | -164.3 | -60.2 | 165 | 0 | 0 | 0 | 113.2 | | |
| 142 | S | 27.9 | Very low | 31.9 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | | 144.7 | 130.3 | 121.1 | -168.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 143 | S | 29.1 | Very low | 32 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | 69.5 | 142.3 | 147 | -158.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 144 | D | 33.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | | | cis | -166.3 | -178.9 | -19.2 | -109.7 | -62.7 | 0 | 0 | 0 | 109.9 | | |
| 145 | D | 40.5 | Very low | 31.9 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | 88.5 | 145.9 | 153.2 | -146.6 | -140.8 | 0 | 0 | 0 | 119.7 | | |
| 146 | E | 37.5 | Very low | 32.2 | Very low | 185 Ų | 185 | 124 Ų | 124 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -121.7 | -178 | -151.4 | -49.8 | -174.7 | 114.7 | 0 | 0 | 113.7 | | |
| 147 | G | 36.1 | Very low | 32.2 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | 101.8 | 153.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 148 | E | 32 | Very low | 32.6 | Very low | 187 Ų | 187 | 127.3 Ų | 127.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | cis | -152.1 | -173.6 | -8.2 | -145.3 | -112.2 | 91.2 | 0 | 0 | 109.8 | | |
| 149 | A | 32.2 | Very low | 34 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | trans | -84.2 | 169.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 150 | G | 31.7 | Very low | 34.2 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -179 | 105.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 151 | A | 35.3 | Very low | 34.2 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -125.2 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 152 | T | 33.1 | Very low | 35.6 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | | | trans | 71.4 | 147.8 | -178.4 | 79.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 153 | G | 28.7 | Very low | 36.9 | Very low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | cis | -172.3 | 171.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 154 | G | 31.3 | Very low | 37.1 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | cis | 130 | 88.9 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 155 | Q | 33.7 | Very low | 37.1 | Very low | 173 Ų | 173 | 121.6 Ų | 121.6 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | -161.2 | 146.6 | 168.3 | -118.3 | 175.3 | 19.2 | 0 | 0 | 117.2 | | |
| 156 | H | 33.6 | Very low | 36.7 | Very low | 153 Ų | 153 | 118 Ų | 118 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | | | trans | 72.9 | 94.8 | 152.9 | -65 | -46.2 | 0 | 0 | 0 | 124.6 | | |
| 157 | K | 32.2 | Very low | 36.7 | Very low | 204 Ų | 204 | 114.2 Ų | 114.2 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | | 93.5 | 143.5 | 119.5 | -144.2 | 170.3 | -175.4 | 179.4 | 0 | 119.7 | | |
| 158 | A | 33.8 | Very low | 36.6 | Very low | 86 Ų | 86 | 115 Ų | 115 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -147.2 | -155.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 159 | P | 58.6 | Low | 37 | Very low | 119 Ų | 119 | 112 Ų | 112 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | cis | -142.3 | -154.8 | -6.8 | 43.1 | -21.6 | 0 | 0 | 0 | 114.8 | | |
| 160 | A | 32 | Very low | 37 | Very low | 88 Ų | 88 | 111.3 Ų | 111.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | 93.2 | 148.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 161 | L | 37.6 | Very low | 37.3 | Very low | 158 Ų | 158 | 114.7 Ų | 114.7 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | cis | -176.1 | -160.8 | -38 | -99 | 162.7 | 0 | 0 | 0 | 107.9 | | |
| 162 | P | 56.7 | Low | 37.4 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | | -119.9 | -115.9 | -103.8 | 31.4 | -5.3 | 0 | 0 | 0 | 119.7 | | |
| 163 | P | 56.5 | Low | 38.4 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | | -137.9 | 169.6 | -110.2 | 42.9 | -24.2 | 0 | 0 | 0 | 120.5 | | |
| 164 | G | 33.2 | Very low | 38.4 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | | | | 97.4 | 151.9 | 128.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 165 | G | 32.8 | Very low | 38.6 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | 137 | 126.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 166 | G | 32.2 | Very low | 38.3 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 89.5 | 127.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 167 | A | 37 | Very low | 38.3 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | cis | 86.9 | 139.1 | 28.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 168 | A | 34.3 | Very low | 38.4 | Very low | 89 Ų | 89 | 119.1 Ų | 119.1 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | cis | -164.3 | 137.1 | -19.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 169 | V | 41 | Very low | 38.3 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | 41.4 | 131 | 135.9 | -171.7 | 0 | 0 | 0 | 0 | 123 | L171 | V169-L171 HydrophobicContact CG1-CD1 3.63Å; V169-L171 HydrophobicContact CG1-CG 3.72Å |
| 170 | G | 32.2 | Very low | 36.7 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | -137.1 | 152.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 171 | L | 37.5 | Very low | 36.8 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -147 | 161.9 | -158.7 | -91.7 | 170.1 | 0 | 0 | 0 | 117.6 | V169 | V169-L171 HydrophobicContact CG1-CD1 3.63Å; V169-L171 HydrophobicContact CG1-CG 3.72Å |
| 172 | R | 36.8 | Very low | 36.5 | Very low | 224 Ų | 224 | 129.9 Ų | 129.9 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | 87.5 | 158.3 | 157.8 | -69.7 | -103.6 | 88.4 | -167.7 | 4.3 | 119.2 | | |
| 173 | P | 54.2 | Low | 35.3 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | trans | -132.2 | -172.7 | -142.9 | 45.3 | -29.6 | 0 | 0 | 0 | 116.6 | | |
| 174 | G | 30.5 | Very low | 34.1 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -149.4 | 172.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 175 | L | 34.4 | Very low | 34 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 100% | 1.01 | 79% | 0.788 | S | S | * | * | | | trans | -137 | 158.2 | -168 | -78.6 | 164.8 | 0 | 0 | 0 | 114.4 | | |
| 176 | G | 28.3 | Very low | 33.6 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | 108.8 | 164.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 177 | R | 32.8 | Very low | 33.4 | Very low | 233 Ų | 233 | 144.9 Ų | 144.9 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | cis | 177.9 | 130.1 | -30.9 | -124 | -166.6 | 179.8 | -161.4 | 1.9 | 106.3 | | |
| 178 | T | 33.2 | Very low | 33 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | 64.2 | 118.6 | 146.4 | 55.2 | 0 | 0 | 0 | 0 | 124.9 | | |
| 179 | R | 32 | Very low | 33.3 | Very low | 239 Ų | 239 | 150 Ų | 150 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | | 87.1 | 149.9 | 116.5 | -166.3 | 176.7 | -170 | -113 | 6.1 | 121.9 | | |
| 180 | S | 26.5 | Very low | 32.7 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | 82.3 | 135.3 | 170.2 | -142.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 181 | S | 33.6 | Very low | 33.2 | Very low | 101 Ų | 101 | 151 Ų | 151 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | cis | 113.8 | 140.2 | 0.1 | 90.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 182 | R | 31.9 | Very low | 32.8 | Very low | 237 Ų | 237 | 151.6 Ų | 151.6 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | | | trans | 68.1 | 155.8 | 178.9 | -83.2 | -171.3 | 174 | -171.7 | -1.7 | 116.4 | | |
| 183 | S | 30.3 | Very low | 32.9 | Very low | 80 Ų | 80 | 145.4 Ų | 145.4 | 56% | 0.559 | 76% | 0.757 | S | S | * | * | | | cis | -172.7 | 163.3 | -7.5 | 47.7 | 0 | 0 | 0 | 0 | 113 | | |
| 184 | H | 32.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | | | trans | 68.9 | 159.3 | 157 | -65 | -48.4 | 0 | 0 | 0 | 117 | | |
| 185 | K | 30.3 | Very low | 32 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | cis | -155.6 | 169.7 | -1.7 | -121.7 | 163.8 | -174.2 | -176.1 | 0 | 110.4 | | |
| 186 | W | 25.2 | Very low | 32 | Very low | 243 Ų | 243 | 151 Ų | 151 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | | | trans | -32.9 | 150.7 | 176.2 | -67.3 | 71.5 | 0 | 0 | 0 | 121 | | |
| 187 | V | 27.3 | Very low | 32.2 | Very low | 139 Ų | 139 | 157.3 Ų | 157.3 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | | 169.2 | 154.9 | 115.8 | 155.6 | 0 | 0 | 0 | 0 | 112 | | |
| 188 | R | 29.1 | Very low | 32.2 | Very low | 184 Ų | 184 | 158 Ų | 158 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | trans | -115.3 | 151.2 | 178.4 | -160.9 | -143 | -178.4 | -147.5 | -4.8 | 110.7 | E190 | R188-E190 IonicContact CZ-OE1 3.05Å; R188-E190 IonicContact NH1-OE1 3.63Å; R188-E190 IonicContact NH2-OE1 3.55Å; R188-E190 PolarHBondContact NH2-OE1 3.16Å |
| 189 | P | 41.1 | Very low | 32.5 | Very low | 119 Ų | 119 | 158 Ų | 158 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | | -147.3 | -175.2 | 100.8 | 35.3 | -15.4 | 0 | 0 | 0 | 116.6 | | |
| 190 | E | 28 | Very low | 32.4 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 55% | 0.547 | 78% | 0.78 | S | S | . | * | | | trans | -49.6 | 175.3 | 174.7 | -81.3 | -75.9 | 103 | 0 | 0 | 118.5 | R188 | R188-E190 IonicContact CZ-OE1 3.05Å; R188-E190 IonicContact NH1-OE1 3.63Å; R188-E190 IonicContact NH2-OE1 3.55Å; R188-E190 PolarHBondContact NH2-OE1 3.16Å |
| 191 | P | 41.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 156.3 Ų | 156.3 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | | | cis | -133.3 | 171.2 | -2.2 | 25.1 | -1.2 | 0 | 0 | 0 | 117.4 | | |
| 192 | E | 28.5 | Very low | 32.4 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | 24.8 | 167.1 | 142.5 | -73.2 | -89.5 | 99.1 | 0 | 0 | 123.4 | | |
| 193 | P | 38.8 | Very low | 32.4 | Very low | 93 Ų | 93 | 151 Ų | 151 | 60% | 0.604 | 79% | 0.788 | S | S | * | * | | | cis | -136 | 138.9 | -47.7 | 33.6 | -16.2 | 0 | 0 | 0 | 114.2 | | |
| 194 | V | 31.6 | Very low | 32.6 | Very low | 141 Ų | 141 | 158.8 Ų | 158.8 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | -142 | 111.3 | 163.7 | -174.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 195 | L | 35.2 | Very low | 32.7 | Very low | 165 Ų | 165 | 162.9 Ų | 162.9 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | 10.6 | 113.7 | 152.6 | -66.6 | 166.8 | 0 | 0 | 0 | 119.2 | K197 | L195-K197 PolarHBondContact O-N 3.38Š|
| 196 | L | 34 | Very low | 32.7 | Very low | 181 Ų | 181 | 162.2 Ų | 162.2 | 95% | 0.948 | 82% | 0.818 | S | S | * | * | | | trans | -63.7 | 125.8 | 165.3 | -73.9 | 165.7 | 0 | 0 | 0 | 112.2 | | |
| 197 | K | 33 | Very low | 33.2 | Very low | 204 Ų | 204 | 156.4 Ų | 156.4 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | -90.4 | 131.8 | 157.3 | -74 | 178.3 | 178.3 | 172.3 | 0 | 109.8 | L195 | L195-K197 PolarHBondContact O-N 3.38Š|
| 198 | R | 31.8 | Very low | 33.5 | Very low | 249 Ų | 249 | 158.9 Ų | 158.9 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | | | trans | -136.4 | 143.6 | 150.8 | -104.3 | -177.3 | 173.2 | 168.1 | -1.6 | 110.6 | | |
| 199 | P | 41.3 | Very low | 33.6 | Very low | 119 Ų | 119 | 161.1 Ų | 161.1 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -107.3 | 145.6 | -168.8 | 38.2 | -31 | 0 | 0 | 0 | 113.5 | | |
| 200 | C | 28.1 | Very low | 33.3 | Very low | 137 Ų | 137 | 164.3 Ų | 164.3 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | | | trans | -131.7 | 135 | 165.3 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 201 | L | 30.8 | Very low | 33.5 | Very low | 167 Ų | 167 | 170 Ų | 170 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | | | trans | -78.2 | 168.1 | 164.8 | -58.9 | 167.3 | 0 | 0 | 0 | 108.5 | | |
| 202 | S | 29.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 174.5 Ų | 174.5 | 73% | 0.727 | 85% | 0.85 | S | S | * | * | | | cis | -163.4 | 136.9 | -4.9 | -127.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 203 | S | 32.1 | Very low | 33.2 | Very low | 123 Ų | 123 | 172.4 Ų | 172.4 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | | | trans | -174.7 | 105.8 | 153.4 | -93.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 204 | R | 33.8 | Very low | 33 | Very low | 244 Ų | 244 | 177.5 Ų | 177.5 | 92% | 0.921 | 86% | 0.86 | S | S | * | * | | | trans | -130.7 | 124.3 | 157.3 | -73.9 | -171.8 | -178.6 | -107.8 | 0.6 | 108.8 | | |
| 205 | R | 34.1 | Very low | 33.2 | Very low | 247 Ų | 247 | 176.8 Ų | 176.8 | 93% | 0.932 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 143 | 178 | -56.6 | -177.8 | -170.1 | -166.7 | 3.4 | 109.4 | | |
| 206 | L | 31.7 | Very low | 33.3 | Very low | 163 Ų | 163 | 172.7 Ų | 172.7 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 147.3 | -179.3 | -83.6 | 71.1 | 0 | 0 | 0 | 111.8 | | |
| 207 | P | 35.5 | Very low | 34 | Very low | 121 Ų | 121 | 171.1 Ų | 171.1 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 143.2 | 174.8 | 29.9 | -34.8 | 0 | 0 | 0 | 112.2 | R209 | P207-R209 PolarHBondContact O-N 3.01Å; P207-R209 VanDerWaalsContact O-N 3.09Å |
| 208 | H | 32.9 | Very low | 34.5 | Very low | 190 Ų | 190 | 164.3 Ų | 164.3 | 88% | 0.88 | 84% | 0.835 | S | S | * | * | | | trans | -73.5 | 100 | -174.7 | -172 | 30.3 | 0 | 0 | 0 | 112.3 | K210 | H208-K210 PolarHBondContact O-N 2.75Š|
| 209 | R | 32.7 | Very low | 35 | Very low | 231 Ų | 231 | 156.2 Ų | 156.2 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | | | trans | -66.2 | 119.4 | 174.9 | -103.4 | -175.4 | 169.5 | -176.6 | -3 | 111.4 | P207 R211 | P207-R209 PolarHBondContact O-N 3.01Å; P207-R209 VanDerWaalsContact O-N 3.09Å; R209-R211 PolarHBondContact O-N 3.34Å |
| 210 | K | 34.8 | Very low | 35.4 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | | | trans | -56.1 | 127.3 | 170.7 | -65.9 | 178.4 | 178.8 | 177.5 | 0 | 110.6 | H208 F212 | H208-K210 PolarHBondContact O-N 2.75Å; K210-F212 PolarHBondContact O-N 3.18Å |
| 211 | R | 31.4 | Very low | 37.1 | Very low | 236 Ų | 236 | 154.7 Ų | 154.7 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | | | trans | -74.3 | 104.6 | 169.2 | -88.6 | -174.4 | 172 | 168.4 | -0.8 | 110.2 | R209 V213 | R209-R211 PolarHBondContact O-N 3.34Å; R211-V213 PolarHBondContact O-N 3.14Å |
| 212 | F | 27.8 | Very low | 39 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | | | trans | -69.8 | 110.4 | 159.2 | -89.3 | -94.8 | 0 | 0 | 0 | 109.3 | K210 K214 | K210-F212 PolarHBondContact O-N 3.18Å; F212-K214 PolarHBondContact O-N 3.11Å |
| 213 | V | 36.5 | Very low | 41.5 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -83.8 | 96.7 | 168.3 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | R211 T215 | R211-V213 PolarHBondContact O-N 3.14Å; V213-T215 HydrophobicContact CG1-CG2 4.41Å; V213-T215 PolarHBondContact O-N 2.76Å |
| 214 | K | 34.3 | Very low | 44.1 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -78.5 | 101.7 | 173.8 | -167.8 | 168.4 | -175.7 | 176.6 | 0 | 109.1 | F212 A216 | F212-K214 PolarHBondContact O-N 3.11Å; K214-A216 PolarHBondContact O-N 3.02Å |
| 215 | T | 36.6 | Very low | 46.4 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -71.4 | 90 | 175.5 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | V213 | V213-T215 HydrophobicContact CG1-CG2 4.41Å; V213-T215 PolarHBondContact O-N 2.76Å |
| 216 | A | 36.9 | Very low | 48.8 | Very low | 79 Ų | 79 | 144.5 Ų | 144.5 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | | | trans | -75.4 | 136.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | K214 G218 | K214-A216 PolarHBondContact O-N 3.02Å; A216-G218 PolarHBondContact O-N 3.14Å |
| 217 | P | 47.3 | Very low | 51.7 | Low | 147 Ų | 147 | 141 Ų | 141 | 96% | 0.955 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -75.3 | 74.4 | 174.6 | 32.1 | -34.6 | 0 | 0 | 0 | 110.2 | | |
| 218 | G | 44 | Very low | 54.2 | Low | 62 Ų | 62 | 140.4 Ų | 140.4 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | | | trans | -158.4 | 72.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A216 G220 | A216-G218 PolarHBondContact O-N 3.14Å; G218-G220 PolarHBondContact O-N 3.07Å |
| 219 | G | 43.6 | Very low | 56.6 | Low | 79 Ų | 79 | 141.2 Ų | 141.2 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | | | trans | -69.5 | 86.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q221 | G219-Q221 PolarHBondContact O-N 3.44Š|
| 220 | G | 48.3 | Very low | 59.4 | Low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | | | trans | -50.6 | 112.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G218 R222 | G218-G220 PolarHBondContact O-N 3.07Å; G220-R222 PolarHBondContact O-N 3.01Å |
| 221 | Q | 64 | Low | 62.2 | Low | 155 Ų | 155 | 130.5 Ų | 130.5 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | | | trans | -60.4 | 108 | -178.8 | -85.6 | -74.2 | -8.5 | 0 | 0 | 109.4 | G219 T223 | G219-Q221 PolarHBondContact O-N 3.44Å; Q221-T223 PolarHBondContact O-N 3.02Å |
| 222 | R | 71.3 | Confident | 65.1 | Low | 136 Ų | 136 | 124.7 Ų | 124.7 | 51% | 0.513 | 67% | 0.672 | S | S | . | * | | | trans | -52 | 125.9 | 173.3 | -68.3 | -173.9 | 176.8 | 162.1 | -0.1 | 108.5 | G220 Q226 K227 | G220-R222 PolarHBondContact O-N 3.01Å; R222-Q226 HydrophobicContact CB-CB 4.44Å; R222-Q226 VanDerWaalsContact CB-OE1 3.32Å; R222-K227 HydrophobicContact CB-CG 3.89Å; R222-K227 WeakPolarHBondContact O-CD 3.46Å; R222-K227 WeakPolarHBondContact O-CE 3.17Å; R222-K227 PolarHBondContact O-NZ 3.25Å |
| 223 | T | 82.8 | Confident | 68.1 | Low | 91 Ų | 91 | 120 Ų | 120 | 56% | 0.558 | 65% | 0.653 | S | S | * | * | | | trans | -57.6 | 153.6 | -178.5 | 64 | 0 | 0 | 0 | 0 | 110.1 | Q221 K225 Q226 K227 | Q221-T223 PolarHBondContact O-N 3.02Å; T223-K225 VanDerWaalsContact C-N 3.25Å; T223-K225 PolarHBondContact O-N 3.47Å; T223-Q226 CarbonylContact O-C 3.53Å; T223-Q226 WeakPolarHBondContact O-CA 3.46Å; T223-Q226 WeakPolarHBondContact O-CB 3.42Å; T223-Q226 PolarHBondContact O-N 3.1Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.43Å; T223-Q226 PolarHBondContact OG1-N 3.13Å; T223-K227 PolarHBondContact O-N 3.43Å |
| 224 | Q | 84.9 | Confident | 70.8 | Confident | 165 Ų | 165 | 123 Ų | 123 | 77% | 0.771 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -54.3 | -44.3 | -177.6 | -175.7 | 164.8 | -25.7 | 0 | 0 | 111.6 | Q226 K227 E228 | Q224-Q226 VanDerWaalsContact C-N 3.29Å; Q224-Q226 PolarHBondContact O-N 3.09Å; Q224-K227 WeakPolarHBondContact O-CB 3.2Å; Q224-K227 PolarHBondContact O-N 3.33Å; Q224-K227 VanDerWaalsContact O-N 3.16Å; Q224-E228 VanDerWaalsContact O-CB 3.3Å; Q224-E228 WeakPolarHBondContact O-CB 3.44Å; Q224-E228 PolarHBondContact O-N 3.21Å |
| 225 | K | 83.6 | Confident | 73.6 | Confident | 174 Ų | 174 | 120.4 Ų | 120.4 | 76% | 0.757 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59 | -33.3 | 173.6 | -162.7 | 167.5 | -173.5 | 169.7 | 0 | 113.5 | T223 R229 | T223-K225 VanDerWaalsContact C-N 3.25Å; T223-K225 PolarHBondContact O-N 3.47Å; K225-R229 VanDerWaalsContact O-CB 3.32Å; K225-R229 WeakPolarHBondContact O-CB 3.38Å; K225-R229 PolarHBondContact O-N 2.89Å |
| 226 | Q | 83.8 | Confident | 76.3 | Confident | 104 Ų | 104 | 121.7 Ų | 121.7 | 49% | 0.486 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -78 | -37.5 | 175 | -167 | -175.6 | 32.9 | 0 | 0 | 112.5 | R222 T223 Q224 L230 | R222-Q226 HydrophobicContact CB-CB 4.44Å; R222-Q226 VanDerWaalsContact CB-OE1 3.32Å; T223-Q226 CarbonylContact O-C 3.53Å; T223-Q226 WeakPolarHBondContact O-CA 3.46Å; T223-Q226 WeakPolarHBondContact O-CB 3.42Å; T223-Q226 PolarHBondContact O-N 3.1Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.43Å; T223-Q226 PolarHBondContact OG1-N 3.13Å; Q224-Q226 VanDerWaalsContact C-N 3.29Å; Q224-Q226 PolarHBondContact O-N 3.09Å; Q226-L230 WeakPolarHBondContact O-CB 3.31Å; Q226-L230 PolarHBondContact O-N 3.31Å; Q226-L230 VanDerWaalsContact O-N 3.09Å |
| 227 | K | 91.8 | Very high | 78.8 | Confident | 91 Ų | 91 | 125.9 Ų | 125.9 | 40% | 0.396 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.4 | -44.9 | 172.2 | -72.3 | 169.2 | 173.8 | 156.7 | 0 | 110.9 | R222 T223 Q224 L230 L231 | R222-K227 HydrophobicContact CB-CG 3.89Å; R222-K227 WeakPolarHBondContact O-CD 3.46Å; R222-K227 WeakPolarHBondContact O-CE 3.17Å; R222-K227 PolarHBondContact O-NZ 3.25Å; T223-K227 PolarHBondContact O-N 3.43Å; Q224-K227 WeakPolarHBondContact O-CB 3.2Å; Q224-K227 PolarHBondContact O-N 3.33Å; Q224-K227 VanDerWaalsContact O-N 3.16Å; K227-L230 WeakPolarHBondContact O-CB 3.35Å; K227-L230 PolarHBondContact O-N 2.69Å; K227-L231 WeakPolarHBondContact O-CG 3.38Å; K227-L231 PolarHBondContact O-N 2.72Å |
| 228 | E | 89.6 | Confident | 81 | Confident | 108 Ų | 108 | 122.9 Ų | 122.9 | 51% | 0.505 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.9 | -48.5 | 176 | -176.3 | -177.4 | -169.9 | 0 | 0 | 111.9 | Q224 L230 L231 L232 | Q224-E228 VanDerWaalsContact O-CB 3.3Å; Q224-E228 WeakPolarHBondContact O-CB 3.44Å; Q224-E228 PolarHBondContact O-N 3.21Å; E228-L230 PolarHBondContact O-N 3.47Å; E228-L231 CarbonylContact O-C 3.59Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 PolarHBondContact O-N 2.78Å; E228-L232 HydrophobicContact CG-CD1 4.47Å; E228-L232 PolarHBondContact O-N 3.42Å |
| 229 | R | 82.9 | Confident | 83 | Confident | 206 Ų | 206 | 124.1 Ų | 124.1 | 78% | 0.777 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -58.9 | -36.1 | 175.7 | -161.1 | 177.2 | -163.2 | -174.7 | 5.9 | 112.2 | K225 Q233 | K225-R229 VanDerWaalsContact O-CB 3.32Å; K225-R229 WeakPolarHBondContact O-CB 3.38Å; K225-R229 PolarHBondContact O-N 2.89Å; R229-Q233 WeakPolarHBondContact O-CB 3.19Å; R229-Q233 PolarHBondContact O-N 3.45Å |
| 230 | L | 91.1 | Very high | 85 | Confident | 84 Ų | 84 | 125.2 Ų | 125.2 | 44% | 0.44 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.8 | -39.6 | 173.8 | -166.5 | 79.6 | 0 | 0 | 0 | 112.2 | Q226 K227 E228 Q233 R234 | Q226-L230 WeakPolarHBondContact O-CB 3.31Å; Q226-L230 PolarHBondContact O-N 3.31Å; Q226-L230 VanDerWaalsContact O-N 3.09Å; K227-L230 WeakPolarHBondContact O-CB 3.35Å; K227-L230 PolarHBondContact O-N 2.69Å; E228-L230 PolarHBondContact O-N 3.47Å; L230-Q233 PolarHBondContact O-N 3.13Å; L230-R234 WeakPolarHBondContact O-CB 3.23Å; L230-R234 PolarHBondContact O-N 3.33Å |
| 231 | L | 93.1 | Very high | 86.7 | Confident | 110 Ų | 110 | 124 Ų | 124 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.3 | -42.9 | 175.5 | -76.7 | 168 | 0 | 0 | 0 | 111.9 | K227 E228 Q233 R234 K235 | K227-L231 WeakPolarHBondContact O-CG 3.38Å; K227-L231 PolarHBondContact O-N 2.72Å; E228-L231 CarbonylContact O-C 3.59Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 PolarHBondContact O-N 2.78Å; L231-Q233 VanDerWaalsContact C-N 3.33Å; L231-Q233 PolarHBondContact O-N 3.12Å; L231-R234 PolarHBondContact O-N 3.36Å; L231-K235 WeakPolarHBondContact O-CB 3.26Å; L231-K235 PolarHBondContact O-N 3.18Å |
| 232 | L | 92.3 | Very high | 87.4 | Confident | 114 Ų | 114 | 124.7 Ų | 124.7 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.4 | -43.6 | 171.1 | -107.6 | 70.3 | 0 | 0 | 0 | 111.3 | E228 R234 K235 K236 | E228-L232 HydrophobicContact CG-CD1 4.47Å; E228-L232 PolarHBondContact O-N 3.42Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.06Å; L232-K235 PolarHBondContact O-N 2.92Å; L232-K236 WeakPolarHBondContact O-CB 3.48Å; L232-K236 PolarHBondContact O-N 3.44Å |
| 233 | Q | 90.6 | Very high | 87.6 | Confident | 99 Ų | 99 | 127.3 Ų | 127.3 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -37.3 | 176.9 | -163.3 | -179.8 | 32.5 | 0 | 0 | 112 | R229 L230 L231 R237 | R229-Q233 WeakPolarHBondContact O-CB 3.19Å; R229-Q233 PolarHBondContact O-N 3.45Å; L230-Q233 PolarHBondContact O-N 3.13Å; L231-Q233 VanDerWaalsContact C-N 3.33Å; L231-Q233 PolarHBondContact O-N 3.12Å; Q233-R237 VanDerWaalsContact O-CG 3.32Å; Q233-R237 WeakPolarHBondContact O-CG 3.37Å; Q233-R237 PolarHBondContact O-N 3.39Å; Q233-R237 VanDerWaalsContact O-N 3.09Å |
| 234 | R | 94.4 | Very high | 87.1 | Confident | 185 Ų | 185 | 130 Ų | 130 | 70% | 0.698 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.8 | -48.5 | 174.1 | -165.8 | 178.1 | -167.6 | 170.9 | 4.3 | 111.1 | L230 L231 L232 K236 R237 E238 | L230-R234 WeakPolarHBondContact O-CB 3.23Å; L230-R234 PolarHBondContact O-N 3.33Å; L231-R234 PolarHBondContact O-N 3.36Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.06Å; R234-K236 PolarHBondContact O-N 2.9Å; R234-R237 PolarHBondContact O-N 3.03Å; R234-E238 WeakPolarHBondContact O-CB 3.18Å; R234-E238 PolarHBondContact O-N 2.62Å |
| 235 | K | 92.6 | Very high | 86.1 | Confident | 145 Ų | 145 | 130.1 Ų | 130.1 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.9 | -39.5 | 177.9 | -166.9 | 172.6 | -177.9 | 178 | 0 | 111.7 | L231 L232 E238 V239 | L231-K235 WeakPolarHBondContact O-CB 3.26Å; L231-K235 PolarHBondContact O-N 3.18Å; L232-K235 PolarHBondContact O-N 2.92Å; K235-E238 PolarHBondContact O-N 3.06Å; K235-V239 WeakPolarHBondContact O-CG2 3.36Å; K235-V239 PolarHBondContact O-N 2.88Å |
| 236 | K | 92.8 | Very high | 85.3 | Confident | 153 Ų | 153 | 124.6 Ų | 124.6 | 67% | 0.665 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63 | -44.5 | 173.2 | -174.5 | 169.5 | -178.4 | 173.3 | 0 | 112 | L232 R234 E238 V239 I240 | L232-K236 WeakPolarHBondContact O-CB 3.48Å; L232-K236 PolarHBondContact O-N 3.44Å; R234-K236 PolarHBondContact O-N 2.9Å; K236-E238 VanDerWaalsContact C-N 3.34Å; K236-V239 PolarHBondContact O-N 3.43Å; K236-I240 HydrophobicContact CG-CD1 4.09Å; K236-I240 WeakPolarHBondContact O-CD1 3.44Å; K236-I240 VanDerWaalsContact O-CG1 3.27Å; K236-I240 WeakPolarHBondContact O-CG1 3.41Å; K236-I240 PolarHBondContact O-N 2.86Å; K236-I240 VanDerWaalsContact O-N 3.08Å |
| 237 | R | 90.6 | Very high | 84 | Confident | 166 Ų | 166 | 125.3 Ų | 125.3 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.2 | -39.5 | 174.5 | -71.2 | 174.9 | -171.7 | -161.8 | 4.2 | 112 | Q233 R234 I240 A241 | Q233-R237 VanDerWaalsContact O-CG 3.32Å; Q233-R237 WeakPolarHBondContact O-CG 3.37Å; Q233-R237 PolarHBondContact O-N 3.39Å; Q233-R237 VanDerWaalsContact O-N 3.09Å; R234-R237 PolarHBondContact O-N 3.03Å; R237-I240 PolarHBondContact O-N 3.41Å; R237-A241 WeakPolarHBondContact O-CB 3.35Å; R237-A241 PolarHBondContact O-N 3.43Å |
| 238 | E | 91.9 | Very high | 82 | Confident | 84 Ų | 84 | 126.2 Ų | 126.2 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.5 | -41.8 | 178.2 | -167.8 | -175.4 | 156.9 | 0 | 0 | 112.4 | R234 K235 K236 I240 A241 R242 | R234-E238 WeakPolarHBondContact O-CB 3.18Å; R234-E238 PolarHBondContact O-N 2.62Å; K235-E238 PolarHBondContact O-N 3.06Å; K236-E238 VanDerWaalsContact C-N 3.34Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-I240 PolarHBondContact O-N 3.48Å; E238-A241 PolarHBondContact O-N 2.94Å; E238-R242 HydrophobicContact CG-CG 4.49Å; E238-R242 WeakPolarHBondContact O-CB 3.27Å; E238-R242 WeakPolarHBondContact O-CG 3.39Å; E238-R242 PolarHBondContact O-N 3.14Å; E238-R242 IonicContact OE1-CZ 2.69Å; E238-R242 VanDerWaalsContact OE1-CZ 3.25Å; E238-R242 IonicContact OE1-NE 2.62Å; E238-R242 PolarHBondContact OE1-NE 2.89Å; E238-R242 IonicContact OE1-NH2 3.8Å; E238-R242 PolarHBondContact OE1-NH2 3.12Å |
| 239 | V | 86.3 | Confident | 79.8 | Confident | 88 Ų | 88 | 129.3 Ų | 129.3 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.1 | -41.1 | 174.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | K235 K236 R242 R243 | K235-V239 WeakPolarHBondContact O-CG2 3.36Å; K235-V239 PolarHBondContact O-N 2.88Å; K236-V239 PolarHBondContact O-N 3.43Å; V239-R242 PolarHBondContact O-N 3.26Å; V239-R243 WeakPolarHBondContact O-CB 3.42Å; V239-R243 PolarHBondContact O-N 2.86Å |
| 240 | I | 86.9 | Confident | 77.7 | Confident | 102 Ų | 102 | 124.3 Ų | 124.3 | 52% | 0.523 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63 | -43.7 | 174.2 | -67.9 | 164.4 | 0 | 0 | 0 | 110.8 | K236 R237 E238 R243 K244 | K236-I240 HydrophobicContact CG-CD1 4.09Å; K236-I240 WeakPolarHBondContact O-CD1 3.44Å; K236-I240 VanDerWaalsContact O-CG1 3.27Å; K236-I240 WeakPolarHBondContact O-CG1 3.41Å; K236-I240 PolarHBondContact O-N 2.86Å; K236-I240 VanDerWaalsContact O-N 3.08Å; R237-I240 PolarHBondContact O-N 3.41Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-I240 PolarHBondContact O-N 3.48Å; I240-R243 PolarHBondContact O-N 3.07Å; I240-K244 PolarHBondContact O-N 3.42Å |
| 241 | A | 84.1 | Confident | 75.4 | Confident | 45 Ų | 45 | 125.2 Ų | 125.2 | 37% | 0.372 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.2 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R237 E238 R243 K244 Y245 | R237-A241 WeakPolarHBondContact O-CB 3.35Å; R237-A241 PolarHBondContact O-N 3.43Å; E238-A241 PolarHBondContact O-N 2.94Å; A241-R243 VanDerWaalsContact C-N 3.32Å; A241-R243 PolarHBondContact O-N 3.47Å; A241-K244 PolarHBondContact O-N 3.32Å; A241-K244 VanDerWaalsContact O-N 3.14Å; A241-Y245 WeakPolarHBondContact O-CD2 3.4Å; A241-Y245 PolarHBondContact O-N 2.69Å |
| 242 | R | 77.1 | Confident | 72.6 | Confident | 169 Ų | 169 | 126 Ų | 126 | 64% | 0.638 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.3 | -40.2 | 176.2 | -72.1 | 178.8 | -175.4 | -129.3 | 7.3 | 111.7 | E238 V239 Y245 A246 | E238-R242 HydrophobicContact CG-CG 4.49Å; E238-R242 WeakPolarHBondContact O-CB 3.27Å; E238-R242 WeakPolarHBondContact O-CG 3.39Å; E238-R242 PolarHBondContact O-N 3.14Å; E238-R242 IonicContact OE1-CZ 2.69Å; E238-R242 VanDerWaalsContact OE1-CZ 3.25Å; E238-R242 IonicContact OE1-NE 2.62Å; E238-R242 PolarHBondContact OE1-NE 2.89Å; E238-R242 IonicContact OE1-NH2 3.8Å; E238-R242 PolarHBondContact OE1-NH2 3.12Å; V239-R242 PolarHBondContact O-N 3.26Å; R242-Y245 PolarHBondContact O-N 2.68Å; R242-A246 VanDerWaalsContact O-CB 3.31Å; R242-A246 WeakPolarHBondContact O-CB 3.49Å; R242-A246 PolarHBondContact O-N 3.16Å |
| 243 | R | 75.6 | Confident | 69.6 | Low | 190 Ų | 190 | 126.5 Ų | 126.5 | 72% | 0.717 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.1 | -42.8 | 174.1 | -167.1 | 176.7 | -173 | -177.7 | 1.9 | 111.8 | V239 I240 A241 A246 L247 | V239-R243 WeakPolarHBondContact O-CB 3.42Å; V239-R243 PolarHBondContact O-N 2.86Å; I240-R243 PolarHBondContact O-N 3.07Å; A241-R243 VanDerWaalsContact C-N 3.32Å; A241-R243 PolarHBondContact O-N 3.47Å; R243-A246 PolarHBondContact O-N 3.45Å; R243-L247 WeakPolarHBondContact O-CG 3.43Å; R243-L247 PolarHBondContact O-N 2.9Å; R243-L247 VanDerWaalsContact O-N 3.13Å |
| 244 | K | 72.2 | Confident | 67 | Low | 148 Ų | 148 | 127.4 Ų | 127.4 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.5 | -39 | 176.3 | -173 | 165.5 | -177.6 | 168.1 | 0 | 112.5 | I240 A241 L248 | I240-K244 PolarHBondContact O-N 3.42Å; A241-K244 PolarHBondContact O-N 3.32Å; A241-K244 VanDerWaalsContact O-N 3.14Å; K244-L248 WeakPolarHBondContact O-CG 3.33Å; K244-L248 PolarHBondContact O-N 3.26Å |
| 245 | Y | 65.3 | Low | 64 | Low | 167 Ų | 167 | 124.2 Ų | 124.2 | 66% | 0.655 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.1 | -35 | 175.2 | -87.7 | -80.3 | 0 | 0 | 0 | 113.3 | A241 R242 L248 H249 | A241-Y245 WeakPolarHBondContact O-CD2 3.4Å; A241-Y245 PolarHBondContact O-N 2.69Å; R242-Y245 PolarHBondContact O-N 2.68Å; Y245-L248 PolarHBondContact O-N 2.98Å; Y245-H249 PolarHBondContact O-N 3.33Å |
| 246 | A | 67.4 | Low | 61.2 | Low | 59 Ų | 59 | 126.2 Ų | 126.2 | 49% | 0.488 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -64.2 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | R242 R243 L248 H249 | R242-A246 VanDerWaalsContact O-CB 3.31Å; R242-A246 WeakPolarHBondContact O-CB 3.49Å; R242-A246 PolarHBondContact O-N 3.16Å; R243-A246 PolarHBondContact O-N 3.45Å; A246-L248 PolarHBondContact O-N 2.85Å; A246-H249 PolarHBondContact O-N 2.8Å; A246-H249 VanDerWaalsContact O-N 3.12Å |
| 247 | L | 55 | Low | 58.5 | Low | 118 Ų | 118 | 128 Ų | 128 | 62% | 0.618 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -61.2 | -31.9 | 175.1 | -71.1 | 166.4 | 0 | 0 | 0 | 112.7 | R243 H249 | R243-L247 WeakPolarHBondContact O-CG 3.43Å; R243-L247 PolarHBondContact O-N 2.9Å; R243-L247 VanDerWaalsContact O-N 3.13Å; L247-H249 VanDerWaalsContact C-N 3.3Å; L247-H249 PolarHBondContact O-N 3.26Å |
| 248 | L | 50.8 | Low | 55.8 | Low | 111 Ų | 111 | 127.5 Ų | 127.5 | 58% | 0.581 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -7.7 | 177.4 | -68 | 169.2 | 0 | 0 | 0 | 114.2 | K244 Y245 A246 | K244-L248 WeakPolarHBondContact O-CG 3.33Å; K244-L248 PolarHBondContact O-N 3.26Å; Y245-L248 PolarHBondContact O-N 2.98Å; A246-L248 PolarHBondContact O-N 2.85Å |
| 249 | H | 43.5 | Very low | 52.8 | Low | 172 Ų | 172 | 129.5 Ų | 129.5 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -5.3 | 179.5 | -104 | -115.8 | 0 | 0 | 0 | 114 | Y245 A246 L247 | Y245-H249 PolarHBondContact O-N 3.33Å; A246-H249 PolarHBondContact O-N 2.8Å; A246-H249 VanDerWaalsContact O-N 3.12Å; L247-H249 VanDerWaalsContact C-N 3.3Å; L247-H249 PolarHBondContact O-N 3.26Å |
| 250 | S | 39.2 | Very low | 50.3 | Low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -95.3 | -3.5 | -178.8 | -60 | 0 | 0 | 0 | 0 | 114.5 | | |
| 251 | T | 42.8 | Very low | 47.5 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 63% | 0.632 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -135.5 | 54 | -167.1 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 252 | S | 33.2 | Very low | 44.9 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | -175.8 | 96.4 | 153.9 | -86.3 | 0 | 0 | 0 | 0 | 113 | | |
| 253 | S | 29.6 | Very low | 42.8 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 75% | 0.749 | S | S | * | * | | | trans | -166 | 92.3 | 142 | -161.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 254 | S | 36.2 | Very low | 40.6 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -154.5 | 95.9 | 171.2 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 255 | S | 29.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | -138.8 | 110.4 | 171 | 53 | 0 | 0 | 0 | 0 | 107.5 | | |
| 256 | K | 35.2 | Very low | 36.5 | Very low | 186 Ų | 186 | 124 Ų | 124 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | | | trans | -99.3 | 127.8 | 172.1 | -66.4 | 179.7 | -179.7 | 178.3 | 0 | 108.1 | | |
| 257 | E | 36.1 | Very low | 35 | Very low | 191 Ų | 191 | 126.4 Ų | 126.4 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -107.7 | 149.7 | 158.3 | -78.3 | -77.8 | 85.7 | 0 | 0 | 107.6 | | |
| 258 | L | 34.3 | Very low | 33.8 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -115.2 | 134.5 | -179.2 | -67.3 | 171 | 0 | 0 | 0 | 110.2 | | |
| 259 | S | 28.7 | Very low | 32.8 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | -155.6 | 141.3 | 153.7 | -77.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 260 | S | 34.2 | Very low | 32.3 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | -90.2 | 156.3 | -170.4 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 261 | D | 27 | Very low | 31.9 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | | -169.6 | 162 | 96.9 | -93.5 | -26.3 | 0 | 0 | 0 | 113.2 | | |
| 262 | S | 30.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -95.2 | 171.1 | 179.5 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 263 | S | 32.6 | Very low | 31.5 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | cis | -155.1 | 138.9 | 21.8 | -47 | 0 | 0 | 0 | 0 | 108.9 | | |
| 264 | S | 29.4 | Very low | 31.5 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | | 81.6 | 147.4 | 97.6 | -61.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 265 | A | 27.6 | Very low | 31 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | 72.2 | 157 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 266 | S | 24.5 | Very low | 30.8 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | cis | -172.1 | 125 | -32 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 267 | S | 33.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | 53.2 | -154.6 | 159.3 | -53.9 | 0 | 0 | 0 | 0 | 117 | | |
| 268 | T | 31.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | | | trans | 69.2 | 101.8 | -171 | 72.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 269 | E | 28.7 | Very low | 29.6 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | | 74.2 | 143.5 | 70 | 92.3 | -152.9 | 36.7 | 0 | 0 | 113 | | |
| 270 | A | 34.2 | Very low | 29.7 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | cis | -141.9 | 160.2 | -9.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 271 | E | 30.3 | Very low | 29.4 | Very low | 193 Ų | 193 | 132 Ų | 132 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -101.9 | 133.7 | 162.1 | 54.8 | -155.9 | 100.9 | 0 | 0 | 109 | | |
| 272 | D | 35.1 | Very low | 29.4 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -78.3 | 158.3 | -160.5 | -143.2 | -25 | 0 | 0 | 0 | 113.4 | | |
| 273 | E | 32.1 | Very low | 29.4 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | -81.3 | -177.8 | -162.5 | -66.7 | -160.9 | 143.9 | 0 | 0 | 116 | | |
| 274 | L | 30.1 | Very low | 29.2 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | 86.9 | 129.6 | 160.3 | -48 | -178.9 | 0 | 0 | 0 | 116 | | |
| 275 | Y | 24.8 | Very low | 30.2 | Very low | 208 Ų | 208 | 132.7 Ų | 132.7 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | cis | -152.8 | 165.9 | -2.2 | -169.6 | -112.9 | 0 | 0 | 0 | 111.3 | | |
| 276 | V | 27 | Very low | 30.3 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 65% | 0.648 | 77% | 0.766 | S | S | * | * | | | trans | -70.4 | 158 | -168.5 | -66.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 277 | D | 26.4 | Very low | 30.8 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | | -153.1 | -179.1 | 113.9 | -149.2 | -6.9 | 0 | 0 | 0 | 112.5 | | |
| 278 | V | 26.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -97.4 | 155.3 | -146.3 | 160.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 279 | S | 27.8 | Very low | 30.9 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | -17.4 | 166.2 | 157.8 | -38.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 280 | S | 30.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | cis | -149 | -175.4 | 22.7 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 281 | T | 28.6 | Very low | 31.4 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | cis | -154.7 | 140.2 | 30.8 | 48.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 282 | S | 26.5 | Very low | 31.5 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | | 70.1 | 99.9 | 52.1 | 80.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 283 | S | 29.1 | Very low | 31.1 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | | | trans | -153 | 86.5 | 158.4 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 284 | Q | 28.2 | Very low | 31 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -84.1 | -159.3 | 150.2 | -123.6 | -166.8 | 33.3 | 0 | 0 | 107.6 | | |
| 285 | P | 50.4 | Low | 31 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 57% | 0.565 | 76% | 0.761 | S | S | * | * | | | cis | -135.3 | -161.7 | 1.1 | 28.9 | -2.6 | 0 | 0 | 0 | 114.6 | | |
| 286 | N | 30.8 | Very low | 31.1 | Very low | 139 Ų | 139 | 119 Ų | 119 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | 102.2 | 139.1 | 152.8 | -56 | -31.2 | 0 | 0 | 0 | 118.8 | | |
| 287 | S | 33.9 | Very low | 31.3 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | cis | -170.8 | 144.6 | -18.2 | -103.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 288 | A | 36.6 | Very low | 31.7 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | 64.4 | 164.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 289 | T | 32.1 | Very low | 32 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | | | cis | -160.2 | 137.3 | 6.8 | -13.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 290 | V | 37.9 | Very low | 32.1 | Very low | 138 Ų | 138 | 122 Ų | 122 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | 41.8 | 138.5 | 130.6 | -176.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 291 | A | 34.2 | Very low | 32 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | cis | -162.6 | 161.7 | 44.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 292 | T | 32.5 | Very low | 32.1 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | 24.6 | 141.4 | 145.5 | 55.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 293 | G | 27.5 | Very low | 32.2 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | cis | 155.3 | 162.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 294 | A | 29.1 | Very low | 32.2 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | 70.3 | 149.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 295 | L | 30.7 | Very low | 32.2 | Very low | 160 Ų | 160 | 122.1 Ų | 122.1 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | 71.5 | 146.1 | 170.3 | -58.3 | -173.9 | 0 | 0 | 0 | 117.1 | | |
| 296 | D | 26.8 | Very low | 32.2 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | cis | -158.2 | -170.5 | -26.2 | -144.6 | 37.2 | 0 | 0 | 0 | 110.9 | | |
| 297 | E | 32.1 | Very low | 32.1 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | | | trans | -71.2 | 146 | -166.1 | -51.4 | -175.9 | 139 | 0 | 0 | 116.9 | | |
| 298 | D | 35.3 | Very low | 33 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | | 173.4 | 119.3 | 128.4 | -98.8 | -21.9 | 0 | 0 | 0 | 110.4 | | |
| 299 | V | 31.2 | Very low | 32.8 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | | 76.6 | 123.9 | 78.8 | 165.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 300 | V | 30.3 | Very low | 32.6 | Very low | 117 Ų | 117 | 125 Ų | 125 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | | | cis | -163.5 | 147 | -0.6 | 116.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 301 | V | 27.5 | Very low | 32.2 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | | | trans | 41 | 131.4 | 148 | -170.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 302 | I | 32.2 | Very low | 32 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | | -142.7 | 111.1 | 61.4 | -58.2 | 154.8 | 0 | 0 | 0 | 113.3 | | |
| 303 | E | 28.5 | Very low | 33.3 | Very low | 178 Ų | 178 | 124.1 Ų | 124.1 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -101.8 | 164.7 | 137.4 | -92.5 | -156.4 | 134.6 | 0 | 0 | 107.7 | | |
| 304 | A | 27.8 | Very low | 33.2 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | | | cis | -168.4 | 159.7 | -17.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 305 | S | 29.7 | Very low | 33.3 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 61.1 | -155.1 | 145.5 | -150.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 306 | P | 49.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | | -121.2 | 167.5 | -115.1 | 39.5 | -22.6 | 0 | 0 | 0 | 116 | | |
| 307 | A | 27.6 | Very low | 34.2 | Very low | 103 Ų | 103 | 125 Ų | 125 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | -116.3 | 131.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 308 | P | 54.3 | Low | 34.2 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | -113.4 | 165.5 | -180 | 40.8 | -34.1 | 0 | 0 | 0 | 115.1 | | |
| 309 | A | 31.6 | Very low | 34 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -161.9 | 148.6 | 158 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 310 | N | 28.8 | Very low | 33.9 | Very low | 164 Ų | 164 | 125 Ų | 125 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | | | cis | 69.9 | 135.6 | 39.1 | -71.6 | -9.1 | 0 | 0 | 0 | 113.7 | | |
| 311 | A | 29 | Very low | 33.9 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | | | cis | -159.7 | 156.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 312 | V | 29.1 | Very low | 34.3 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | | 61.2 | 135.9 | 88.9 | 179.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 313 | P | 59.6 | Low | 34.6 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | cis | -142.2 | -129.1 | -24 | 43.9 | -21.9 | 0 | 0 | 0 | 113.5 | | |
| 314 | A | 27.3 | Very low | 34.9 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | | | trans | 79.1 | 115.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 315 | S | 31.1 | Very low | 35.3 | Very low | 98 Ų | 98 | 122 Ų | 122 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | | 81 | 147.6 | 55.4 | 92.4 | 0 | 0 | 0 | 0 | 113 | | |
| 316 | E | 36.7 | Very low | 35.7 | Very low | 147 Ų | 147 | 125 Ų | 125 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | cis | -160.2 | 160.5 | 13.2 | -145.5 | 144.6 | 160.1 | 0 | 0 | 111.3 | | |
| 317 | E | 38.1 | Very low | 34.8 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | 51.1 | 162.5 | 157.5 | 60.5 | -159.4 | 145.9 | 0 | 0 | 121.3 | | |
| 318 | I | 33.5 | Very low | 35.1 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | | | cis | -142.8 | 159 | 16.9 | -21 | 179.6 | 0 | 0 | 0 | 112 | | |
| 319 | N | 31.2 | Very low | 34 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | -92.3 | 155.6 | 179.2 | -59.5 | -55.3 | 0 | 0 | 0 | 114.9 | | |
| 320 | V | 28 | Very low | 33.9 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | | | | -172.9 | 116.3 | 129.3 | -93.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 321 | T | 30.9 | Very low | 34.4 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | | 55.7 | 127 | 86.6 | 66.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 322 | S | 36.4 | Very low | 34.5 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -143.7 | -151.2 | 3.4 | -66.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 323 | T | 37.3 | Very low | 34.5 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | cis | -161.1 | 132.4 | 10.8 | -1.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 324 | D | 36 | Very low | 33.1 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | | 78.6 | 115.4 | 90.9 | -178.3 | 59.6 | 0 | 0 | 0 | 117.2 | | |
| 325 | S | 36 | Very low | 33.3 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | | 173.8 | 123 | 121.3 | -97.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 326 | E | 37.2 | Very low | 33.1 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | -99 | 151.5 | -167.3 | -52.2 | 169.5 | 134.8 | 0 | 0 | 113.4 | | |
| 327 | V | 31.3 | Very low | 32.7 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | | | trans | -148.2 | 100.8 | 146.7 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 328 | E | 34.3 | Very low | 32.3 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | | | trans | -86.3 | 172.5 | 154.1 | -63.3 | -162.9 | 142.8 | 0 | 0 | 109.8 | | |
| 329 | I | 31.3 | Very low | 32 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | cis | -121.7 | -136.3 | 1.5 | -17.7 | 174.1 | 0 | 0 | 0 | 108.2 | | |
| 330 | V | 29 | Very low | 32.1 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | cis | -148.2 | 146.1 | 5.2 | -152 | 0 | 0 | 0 | 0 | 108.9 | | |
| 331 | T | 38.5 | Very low | 32.1 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -115.5 | 129.9 | 170.4 | 41 | 0 | 0 | 0 | 0 | 111.3 | | |
| 332 | V | 31.5 | Very low | 32 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | -148.9 | 132.4 | 165.8 | -165.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 333 | G | 29.4 | Very low | 31.7 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | cis | -162.2 | -177.7 | -5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 334 | D | 29.5 | Very low | 31.7 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | | | trans | -57.9 | 158.2 | -167 | -61.3 | -85.3 | 0 | 0 | 0 | 117.9 | | |
| 335 | G | 31.5 | Very low | 31.3 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | -171.8 | 36.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 336 | F | 28 | Very low | 31.6 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | | | trans | 43.7 | 128.7 | 161.1 | -86 | -95.6 | 0 | 0 | 0 | 122.5 | | |
| 337 | R | 27.8 | Very low | 31.5 | Very low | 227 Ų | 227 | 144.1 Ų | 144.1 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | | | trans | -75.3 | 160.4 | 154.2 | -53.7 | 170.6 | -179.8 | -103.3 | 5.5 | 108.6 | | |
| 338 | S | 28.9 | Very low | 31.4 | Very low | 97 Ų | 97 | 148.6 Ų | 148.6 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | | | | -175.4 | 164.2 | 52 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 339 | R | 27.3 | Very low | 31.1 | Very low | 228 Ų | 228 | 143.5 Ų | 143.5 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | 42.3 | 115.3 | 145.7 | -66.6 | 171.3 | -179.7 | -93.3 | 2.4 | 118.8 | | |
| 340 | S | 33.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | | 65.9 | 111.7 | 66.1 | -53.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 341 | V | 29 | Very low | 30.7 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -161.6 | 151.1 | 140.9 | 134.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 342 | G | 29.1 | Very low | 30.1 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | -120.7 | 146.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 343 | G | 28.6 | Very low | 30 | Very low | 84 Ų | 84 | 139 Ų | 139 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -134.9 | 140.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 344 | L | 38.4 | Very low | 30.1 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | | | trans | -124.2 | 137.5 | -171.3 | -159 | 87.9 | 0 | 0 | 0 | 110.4 | | |
| 345 | S | 27.1 | Very low | 30 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -172.2 | 171.7 | 146.2 | -92.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 346 | R | 41.7 | Very low | 29.8 | Very low | 224 Ų | 224 | 149.4 Ų | 149.4 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -137.1 | 165.3 | -176.2 | -61.6 | 171.7 | -76.5 | -163.5 | -5.6 | 108.4 | | |
| 347 | I | 34.8 | Very low | 29.7 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | | | trans | -173.8 | 163.1 | 133.1 | -99.3 | 154.4 | 0 | 0 | 0 | 113.5 | | |
| 348 | W | 29.1 | Very low | 29.6 | Very low | 243 Ų | 243 | 143.1 Ų | 143.1 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | | | trans | -59.8 | 166.1 | 177.4 | -139.3 | -100.1 | 0 | 0 | 0 | 113.7 | | |
| 349 | G | 28.7 | Very low | 29.7 | Very low | 59 Ų | 59 | 146.9 Ų | 146.9 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | | | cis | 138 | 169.6 | 1.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 350 | S | 24.5 | Very low | 30.4 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -165.4 | 177.5 | 173.2 | -91.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 351 | S | 27.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -141.8 | 163.6 | -157.7 | -163.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 352 | C | 25.3 | Very low | 30.2 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | 53 | 129.8 | 154.5 | 67.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 353 | A | 30.5 | Very low | 30.3 | Very low | 90 Ų | 90 | 151 Ų | 151 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | | | | -173.7 | 128 | 121.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 354 | Q | 30.3 | Very low | 30.4 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | 64.6 | 124.7 | 133 | -62.9 | -175.7 | 3.1 | 0 | 0 | 126.1 | | |
| 355 | N | 28.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 158.4 Ų | 158.4 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | | 89.7 | 130.4 | 126 | -92 | -47.6 | 0 | 0 | 0 | 125 | | |
| 356 | R | 27.4 | Very low | 30.5 | Very low | 216 Ų | 216 | 159.4 Ų | 159.4 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | | | trans | 60.9 | 146.1 | 130.7 | -172.7 | -176.1 | -81.9 | -103.3 | 2.8 | 119.3 | | |
| 357 | L | 25.3 | Very low | 30 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 65% | 0.654 | 79% | 0.788 | S | S | * | * | | | cis | -178.8 | 159.9 | -24.9 | 177.6 | 67.6 | 0 | 0 | 0 | 106 | | |
| 358 | Q | 27 | Very low | 30 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | 78.4 | 118.6 | 155.6 | -102.1 | 161 | 0.1 | 0 | 0 | 121.2 | | |
| 359 | E | 29.1 | Very low | 30.1 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -55.4 | 172.7 | 143.1 | -97.7 | -174.1 | 80.5 | 0 | 0 | 113 | | |
| 360 | P | 42.5 | Very low | 30.2 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | | | cis | -146.3 | -167.9 | 31 | 38.2 | -15 | 0 | 0 | 0 | 117.5 | | |
| 361 | R | 30.2 | Very low | 31 | Very low | 233 Ų | 233 | 149.9 Ų | 149.9 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | 78 | 107.9 | 164.2 | -62.8 | 179.9 | 174.3 | 107.2 | -0.6 | 117.4 | | |
| 362 | G | 27.9 | Very low | 31.6 | Very low | 77 Ų | 77 | 149.3 Ų | 149.3 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | -98 | -172.2 | 163 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 363 | R | 33 | Very low | 31.7 | Very low | 255 Ų | 255 | 149.4 Ų | 149.4 | 96% | 0.962 | 75% | 0.754 | S | S | * | * | | | trans | -151.7 | 153 | 165.9 | -109.1 | 175.1 | -178.6 | 179.8 | -0.2 | 111.6 | | |
| 364 | H | 28.9 | Very low | 31.8 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | -64.8 | 141 | 176.2 | -99 | -116.2 | 0 | 0 | 0 | 113.1 | | |
| 365 | R | 35.6 | Very low | 31.9 | Very low | 230 Ų | 230 | 154.2 Ų | 154.2 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | | | | 175.8 | 128 | 122.3 | -96.9 | 170.6 | -179.8 | -158.5 | -1.8 | 107.5 | | |
| 366 | L | 32.5 | Very low | 32.2 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | | 51.5 | 125.5 | 64.6 | -61.2 | 176.8 | 0 | 0 | 0 | 112.1 | | |
| 367 | S | 32.4 | Very low | 33 | Very low | 92 Ų | 92 | 151 Ų | 151 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | cis | -175.2 | -172.9 | -1.1 | 51.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 368 | T | 34.7 | Very low | 33.4 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | 74.6 | 135.3 | 147 | -56 | 0 | 0 | 0 | 0 | 116.7 | | |
| 369 | V | 31.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | cis | -163.3 | 148.7 | -18.3 | 108.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 370 | I | 31 | Very low | 34.2 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 64% | 0.641 | 74% | 0.742 | S | S | * | * | | | trans | 28 | 101.1 | 151.6 | -50.9 | 161.2 | 0 | 0 | 0 | 119.9 | | |
| 371 | Q | 41 | Very low | 34.1 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | 54.9 | -163.3 | 134.6 | -48.4 | 179.8 | -33.1 | 0 | 0 | 116.5 | | |
| 372 | P | 39.9 | Very low | 34.5 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 62% | 0.617 | 72% | 0.723 | S | S | * | * | | | cis | -131.5 | -177.4 | -20.8 | 26.3 | -2.7 | 0 | 0 | 0 | 115.5 | | |
| 373 | L | 28.3 | Very low | 35.4 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | | | trans | 78.6 | 106 | 138.3 | -100 | 26.7 | 0 | 0 | 0 | 122.4 | | |
| 374 | R | 30.6 | Very low | 35.7 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | | | trans | 71.9 | 162.9 | 138.7 | -29.1 | -150.9 | -171 | -92 | -2.7 | 117.5 | | |
| 375 | Q | 33.1 | Very low | 36.5 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | | | cis | -150.7 | 156.6 | 1.9 | -146.3 | 143.7 | -22.1 | 0 | 0 | 111.8 | | |
| 376 | N | 35.1 | Very low | 36.6 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | | | trans | -69.4 | 168.7 | 160.8 | -98.3 | -3.6 | 0 | 0 | 0 | 110.7 | | |
| 377 | P | 44 | Very low | 37.2 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | | | cis | -126.3 | -171.9 | 13.3 | 37.4 | -18.6 | 0 | 0 | 0 | 113.7 | | |
| 378 | G | 32.7 | Very low | 37.8 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | | | cis | 151.9 | 155.7 | -9.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 379 | E | 39.1 | Very low | 37.9 | Very low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | | | trans | 66.7 | 155.9 | 171.5 | -65.2 | -159.6 | 118.1 | 0 | 0 | 117 | | |
| 380 | V | 34.8 | Very low | 38.1 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 52% | 0.515 | 72% | 0.723 | S | S | . | * | | | cis | -166.5 | 161.3 | -10.8 | 124.7 | 0 | 0 | 0 | 0 | 111.2 | V754 | V380-V754 HydrophobicContact CG2-CB 4.48Å; V380-V754 HydrophobicContact CG2-CG1 4.26Å |
| 381 | V | 39.6 | Very low | 38.2 | Very low | 85 Ų | 85 | 134 Ų | 134 | 52% | 0.515 | 73% | 0.729 | S | S | . | * | | | trans | 72.2 | 158.8 | 162.8 | 148 | 0 | 0 | 0 | 0 | 119.3 | | |
| 382 | D | 38.3 | Very low | 37.7 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 56% | 0.561 | 73% | 0.73 | S | S | * | * | | | | 179.3 | 134.2 | -61.5 | -93.9 | -41.1 | 0 | 0 | 0 | 112.6 | | |
| 383 | L | 48.1 | Very low | 37.1 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | | | trans | 58.5 | 138.5 | 143.5 | -58.3 | 174.8 | 0 | 0 | 0 | 125.4 | | |
| 384 | T | 39.6 | Very low | 38.4 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | | | trans | 164.7 | 168.2 | 141.9 | 28.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 385 | V | 44.5 | Very low | 38.5 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | | | | 178.8 | 142.9 | -59.3 | 142.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 386 | D | 39.2 | Very low | 38.4 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | cis | -132 | -79.1 | -28.9 | -118 | -124.4 | 0 | 0 | 0 | 114.8 | | |
| 387 | E | 43.2 | Very low | 38.2 | Very low | 157 Ų | 157 | 126 Ų | 126 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | cis | -169 | 159.4 | -11.6 | -150.2 | 145.6 | -129 | 0 | 0 | 113 | | |
| 388 | D | 46.5 | Very low | 37.5 | Very low | 159 Ų | 159 | 123 Ų | 123 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | | | trans | 66.3 | 148.4 | 160.2 | -100.9 | -30 | 0 | 0 | 0 | 130.2 | | |
| 389 | D | 35.8 | Very low | 37.4 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | 79.8 | 170 | 155 | -124.7 | -30.2 | 0 | 0 | 0 | 126.9 | | |
| 390 | L | 35.7 | Very low | 37.1 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | | | trans | -117.7 | 164.1 | -144.4 | -68.1 | 161.8 | 0 | 0 | 0 | 120 | | |
| 391 | S | 33.6 | Very low | 36.9 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | | 133.4 | 147 | 118 | 76 | 0 | 0 | 0 | 0 | 122.8 | | |
| 392 | V | 30.4 | Very low | 36.3 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | 75.1 | 155.8 | 157.6 | -153.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 393 | V | 27.1 | Very low | 36 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -130.8 | -168 | -168.8 | -115.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 394 | P | 55.8 | Low | 35.2 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | cis | -113.9 | -137.8 | -9.5 | 17.5 | 9.2 | 0 | 0 | 0 | 113.5 | | |
| 395 | T | 31.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | cis | -158.1 | 164.2 | 15.9 | 49.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 396 | T | 32.3 | Very low | 34.2 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -5.1 | 156.9 | 148.1 | 61.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 397 | S | 30.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | cis | -177.4 | 180 | -5.3 | -90.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 398 | G | 29.7 | Very low | 33.4 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | cis | 151.4 | 153.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 399 | S | 30.6 | Very low | 32.7 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | 73.7 | 157.1 | 175.5 | -137.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 400 | I | 31.3 | Very low | 32.5 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | cis | -145.9 | 165.6 | 5.5 | -12.2 | 177.9 | 0 | 0 | 0 | 111.5 | | |
| 401 | H | 30.8 | Very low | 32.3 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | 19.1 | 154 | 144.1 | -104.9 | 48 | 0 | 0 | 0 | 123.3 | | |
| 402 | T | 27.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | cis | -153.5 | 175.7 | 19.7 | -35 | 0 | 0 | 0 | 0 | 113 | | |
| 403 | Q | 33.6 | Very low | 32.3 | Very low | 177 Ų | 177 | 124 Ų | 124 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -81.4 | 178.7 | 174.4 | -51.6 | 173.7 | 2.2 | 0 | 0 | 114.6 | | |
| 404 | T | 31.2 | Very low | 32.6 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | | | | 175.1 | 116.4 | 128.3 | -78.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 405 | V | 32.5 | Very low | 31.6 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | | | trans | 23.8 | 137.7 | 158.2 | -84.2 | 0 | 0 | 0 | 0 | 124.8 | | |
| 406 | R | 29.9 | Very low | 31.6 | Very low | 230 Ų | 230 | 127.4 Ų | 127.4 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | | | | 55.2 | 148.6 | 90.8 | -67 | -177.7 | 174.8 | 157.2 | -6.4 | 115.2 | | |
| 407 | S | 32.7 | Very low | 31.5 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | cis | -175.1 | 177.9 | 0.4 | -105.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 408 | S | 32.7 | Very low | 31.5 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | | | cis | -173 | 174.3 | -15.6 | -92.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 409 | S | 30.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | 67.8 | 157.8 | 163.9 | 21 | 0 | 0 | 0 | 0 | 118.3 | | |
| 410 | S | 32.9 | Very low | 31.5 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | cis | -172.1 | 150.3 | -17.6 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 411 | S | 30.3 | Very low | 31.4 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | 75.5 | 126.8 | 145.2 | -59 | 0 | 0 | 0 | 0 | 125.3 | | |
| 412 | S | 31.1 | Very low | 31.5 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | 83.6 | 137.9 | 133.7 | -60.2 | 0 | 0 | 0 | 0 | 125.4 | | |
| 413 | S | 33.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | 66.2 | 156.8 | 153.4 | 25.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 414 | S | 32.9 | Very low | 31.6 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | cis | -168.8 | 149.5 | -9.9 | 42.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 415 | H | 33.9 | Very low | 32 | Very low | 160 Ų | 160 | 125 Ų | 125 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | 50 | 131.1 | 144.6 | -76.2 | -90.4 | 0 | 0 | 0 | 125.7 | | |
| 416 | H | 32.2 | Very low | 33.1 | Very low | 171 Ų | 171 | 125.7 Ų | 125.7 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | trans | 75.2 | 151.2 | 140.8 | -70.6 | -56 | 0 | 0 | 0 | 125.5 | | |
| 417 | A | 30.2 | Very low | 33.3 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | 80.6 | 170.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 418 | S | 30.3 | Very low | 34.4 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -137.5 | 171.2 | -158 | -56 | 0 | 0 | 0 | 0 | 112.1 | | |
| 419 | T | 29.9 | Very low | 34.5 | Very low | 136 Ų | 136 | 120 Ų | 120 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | 64.7 | 150.9 | 162.9 | 49.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 420 | S | 30.9 | Very low | 34.7 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | | | cis | -172.9 | 131.8 | -23.7 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 421 | E | 29.8 | Very low | 34.8 | Very low | 184 Ų | 184 | 120.1 Ų | 120.1 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | | | trans | 64.2 | 162.9 | 156.1 | -56 | 179.9 | 140.8 | 0 | 0 | 115.8 | | |
| 422 | L | 32.1 | Very low | 34.9 | Very low | 146 Ų | 146 | 121 Ų | 121 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | | -169.8 | 176.6 | 54.5 | -114.1 | 171.9 | 0 | 0 | 0 | 112.5 | | |
| 423 | N | 32.8 | Very low | 35 | Very low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | 74 | 138.9 | 163.1 | -57.1 | -6.8 | 0 | 0 | 0 | 118.5 | | |
| 424 | D | 30.4 | Very low | 34.8 | Very low | 142 Ų | 142 | 119 Ų | 119 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | cis | -154.8 | -177.3 | -5.1 | -131.9 | -59.1 | 0 | 0 | 0 | 114.9 | | |
| 425 | A | 39.7 | Very low | 34.9 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | | | trans | -76.4 | -168.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 426 | P | 56.2 | Low | 34.7 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | cis | -142.2 | 168.8 | 4.7 | 43 | -23.8 | 0 | 0 | 0 | 119.2 | | |
| 427 | G | 32.9 | Very low | 35.5 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | | | trans | 150.4 | 136.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 428 | P | 57.1 | Low | 35.5 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | -128.9 | 167.7 | -147.5 | 42.4 | -27.9 | 0 | 0 | 0 | 120 | | |
| 429 | S | 34.5 | Very low | 35.5 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | 78.3 | 143.1 | 153.2 | -58.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 430 | T | 35.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | cis | -166.2 | 154.7 | -12.9 | 21.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 431 | S | 34.1 | Very low | 35.5 | Very low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | 39.1 | 124.9 | 154.8 | 54.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 432 | C | 32.2 | Very low | 35.5 | Very low | 128 Ų | 128 | 121 Ų | 121 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | | | | 71.9 | 150.5 | 50.4 | 86.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 433 | A | 33.8 | Very low | 35.4 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | cis | 177.8 | 155.9 | -33.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 434 | G | 29.3 | Very low | 35.2 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | cis | 144.3 | 101.7 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 435 | S | 34.7 | Very low | 35.3 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -171.9 | 148.8 | 174.8 | -85.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 436 | M | 30.2 | Very low | 35 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | 67.7 | 168.8 | 153.2 | -70.5 | -57.6 | 135.1 | 0 | 0 | 119 | | |
| 437 | P | 48.4 | Very low | 33.8 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | cis | -130.2 | -128.3 | 16.6 | 44.1 | -24.5 | 0 | 0 | 0 | 117.2 | | |
| 438 | E | 31.2 | Very low | 33.9 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | -145.7 | 161.5 | -140.9 | -158.7 | -160.1 | 99.5 | 0 | 0 | 115 | | |
| 439 | S | 30.7 | Very low | 32.8 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | | | trans | 94.8 | 148.9 | 140.2 | -113.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 440 | V | 32.2 | Very low | 32.9 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | | | trans | 42.6 | 140 | 162.1 | -95 | 0 | 0 | 0 | 0 | 127.6 | | |
| 441 | H | 28.3 | Very low | 32.8 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | 84.2 | 153.5 | 138.5 | -85.4 | -54.6 | 0 | 0 | 0 | 124.9 | | |
| 442 | T | 29.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | -109.3 | 138.9 | -173.7 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 443 | Q | 30.4 | Very low | 32.9 | Very low | 203 Ų | 203 | 129.4 Ų | 129.4 | 95% | 0.949 | 79% | 0.786 | S | S | * | * | | | trans | -163.8 | -165.7 | 141.6 | -113.8 | 176.8 | 39.8 | 0 | 0 | 113.3 | | |
| 444 | R | 28.3 | Very low | 33.1 | Very low | 238 Ų | 238 | 133.1 Ų | 133.1 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | | | trans | -150.9 | 153.4 | -147.4 | -172.9 | -166.2 | 178 | -172 | 0.2 | 113 | | |
| 445 | A | 32.3 | Very low | 33.3 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | trans | 94.3 | 132.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 446 | S | 34 | Very low | 33.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | trans | 62.6 | 142.8 | 145.1 | -53.1 | 0 | 0 | 0 | 0 | 121 | | |
| 447 | G | 31.1 | Very low | 33.7 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | cis | -119.8 | -122.4 | -3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 448 | S | 34.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | | | cis | 178 | 166.1 | -15.7 | -97 | 0 | 0 | 0 | 0 | 108.2 | | |
| 449 | A | 33.2 | Very low | 33.8 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | | | cis | -175.6 | 163.8 | -30.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 450 | R | 36.9 | Very low | 33.9 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | 72.6 | 145.3 | 167.8 | -66.8 | -166.5 | 156.5 | -166 | -8.6 | 118.3 | | |
| 451 | T | 33.9 | Very low | 34 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | cis | -160.7 | 148.2 | 1.5 | 5.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 452 | A | 37 | Very low | 34.2 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | | | trans | 60.7 | 154.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 453 | A | 31.5 | Very low | 34.2 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | | | cis | -145.8 | 136.1 | 1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 454 | E | 37.7 | Very low | 34.3 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | | 73.1 | 128.7 | 91.9 | -66.5 | 178.8 | 103.3 | 0 | 0 | 117.5 | | |
| 455 | D | 34.2 | Very low | 34.3 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | cis | -141.6 | -110.7 | -26.4 | -149.9 | 64.4 | 0 | 0 | 0 | 113.3 | | |
| 456 | D | 39.9 | Very low | 34.1 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | | | cis | -163.9 | 169.6 | -1.5 | 172.5 | 43.7 | 0 | 0 | 0 | 111.3 | | |
| 457 | N | 32.2 | Very low | 34 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | 76.7 | 154.3 | 162.7 | -105 | -63.1 | 0 | 0 | 0 | 122.4 | | |
| 458 | R | 36 | Very low | 34 | Very low | 234 Ų | 234 | 131 Ų | 131 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -119.9 | 176.5 | -156.8 | -76.7 | -179.9 | 167 | -141.6 | -1.6 | 113.9 | | |
| 459 | P | 47.1 | Very low | 33.9 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | cis | -126.9 | -164.7 | 6.1 | 44.3 | -28.5 | 0 | 0 | 0 | 113.7 | | |
| 460 | G | 31.7 | Very low | 33.7 | Very low | 63 Ų | 63 | 130.6 Ų | 130.6 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | cis | 132.1 | 144.1 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 461 | L | 34.5 | Very low | 33.4 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | 72.5 | 150 | 178.6 | -47.9 | 179.9 | 0 | 0 | 0 | 116 | | |
| 462 | S | 32.5 | Very low | 33.3 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | cis | -171 | 169.8 | -18.5 | -90.5 | 0 | 0 | 0 | 0 | 108 | | |
| 463 | G | 29.9 | Very low | 33.1 | Very low | 56 Ų | 56 | 127.6 Ų | 127.6 | 58% | 0.577 | 79% | 0.789 | S | S | * | * | | | cis | 153.2 | 144 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 464 | T | 31.7 | Very low | 33.8 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 99% | 0.988 | 80% | 0.795 | S | S | * | * | | | trans | 69.7 | 166.2 | 173.7 | 74.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 465 | G | 28.8 | Very low | 33.5 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | cis | 164.2 | 157.2 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 466 | G | 28.6 | Very low | 33.7 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | 73.1 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 467 | E | 30.1 | Very low | 34.2 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | cis | -163 | -163.9 | -27.9 | -129 | 171.2 | 117.9 | 0 | 0 | 111.4 | | |
| 468 | N | 32 | Very low | 34.3 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -78.4 | 149.7 | -166.1 | -71.7 | -31.9 | 0 | 0 | 0 | 117.7 | | |
| 469 | S | 32.5 | Very low | 34.2 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | 51.9 | 130.4 | 141.7 | 63.7 | 0 | 0 | 0 | 0 | 122.9 | | |
| 470 | G | 29.1 | Very low | 33.8 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 177.7 | 94.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 471 | T | 31.4 | Very low | 34.1 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | trans | 30.6 | 95 | 138.2 | -43.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 472 | A | 30.5 | Very low | 34.2 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | | | | 47 | 136.6 | 115.2 | 0 | 0 | 0 | 0 | 0 | 126.6 | | |
| 473 | M | 33.5 | Very low | 34.3 | Very low | 162 Ų | 162 | 130 Ų | 130 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | 78.4 | 142.1 | 147.6 | -68 | -70.6 | 167.6 | 0 | 0 | 120 | | |
| 474 | P | 45.6 | Very low | 34.5 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | | -119.2 | 147.3 | 70.7 | 7.2 | 15.6 | 0 | 0 | 0 | 113.6 | | |
| 475 | R | 32.6 | Very low | 35.5 | Very low | 225 Ų | 225 | 129.1 Ų | 129.1 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | | | | 97.6 | 133.1 | 53.8 | -80.8 | -84.5 | 174 | 83.2 | -1.9 | 114 | | |
| 476 | L | 37.4 | Very low | 35.7 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | -101.6 | 163.6 | -172.2 | -68.3 | 166.3 | 0 | 0 | 0 | 113.5 | | |
| 477 | P | 50.4 | Low | 35.7 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -101 | 160.5 | 135 | 37.2 | -29.4 | 0 | 0 | 0 | 111.7 | | |
| 478 | S | 34.8 | Very low | 35.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -159.6 | 171.1 | 177.2 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 479 | C | 33.3 | Very low | 36.6 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -128.7 | 144.7 | 176 | 54.5 | 0 | 0 | 0 | 0 | 112 | | |
| 480 | C | 38.6 | Very low | 36.7 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -120 | 176.3 | -170 | -60.4 | 0 | 0 | 0 | 0 | 111 | | |
| 481 | Q | 37.5 | Very low | 37.7 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | cis | -133 | -152.3 | 16.7 | -49.7 | 167.5 | 48.8 | 0 | 0 | 109.8 | | |
| 482 | Q | 36.9 | Very low | 37.6 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | cis | -161.2 | 177.4 | 3.9 | -135.4 | -179 | 44.5 | 0 | 0 | 107 | | |
| 483 | H | 35.8 | Very low | 37.7 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | cis | -151.7 | -170 | -3 | -153.5 | -7.4 | 0 | 0 | 0 | 110 | | |
| 484 | S | 34.2 | Very low | 37.5 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 55% | 0.552 | 78% | 0.777 | S | S | * | * | | | trans | -160.5 | 175 | 175.2 | -44.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 485 | P | 51.3 | Low | 36.7 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | | -128.1 | 163.9 | 53.8 | 14.3 | 11.5 | 0 | 0 | 0 | 113.6 | | |
| 486 | C | 33.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | cis | 88 | 125.6 | 35.8 | -59.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 487 | S | 29.6 | Very low | 36 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | | | trans | -173.1 | 145.1 | 140.6 | -81.6 | 0 | 0 | 0 | 0 | 113 | | |
| 488 | G | 30.2 | Very low | 35.3 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | -110.7 | -146.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 489 | P | 49.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | cis | -136.1 | -162.7 | 6.1 | 43.6 | -25.2 | 0 | 0 | 0 | 114.5 | | |
| 490 | S | 34.9 | Very low | 35.9 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -112.4 | 156.9 | 165.1 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 491 | P | 50 | Low | 35.6 | Very low | 135 Ų | 135 | 131 Ų | 131 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | | -153.3 | 177.9 | 120 | 40 | -23.8 | 0 | 0 | 0 | 115.1 | | |
| 492 | G | 29.9 | Very low | 35.4 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 142.5 | 137.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 493 | H | 31.4 | Very low | 35.4 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | | | trans | -153.4 | 133 | -177.1 | -176.1 | -111.2 | 0 | 0 | 0 | 112.8 | | |
| 494 | M | 30.7 | Very low | 35.4 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | trans | 59.7 | 138.1 | 165.8 | -68.6 | -64.8 | 122 | 0 | 0 | 121.4 | | |
| 495 | S | 27.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | | | trans | -158.7 | 137.8 | 139 | -80.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 496 | L | 30.8 | Very low | 34.7 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | trans | -104.5 | 153.1 | 177.2 | -84.5 | 156.8 | 0 | 0 | 0 | 110.2 | | |
| 497 | N | 25.8 | Very low | 34.7 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -160.3 | 133.7 | 150.2 | -102.5 | -29.7 | 0 | 0 | 0 | 112.3 | | |
| 498 | H | 33.8 | Very low | 34.8 | Very low | 174 Ų | 174 | 125.6 Ų | 125.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -116.1 | 152.4 | 167.2 | -92.9 | -52.1 | 0 | 0 | 0 | 107.8 | | |
| 499 | P | 47 | Very low | 34.9 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | | -150.2 | 156.8 | 96.1 | 35 | -15.9 | 0 | 0 | 0 | 117.4 | | |
| 500 | H | 34.5 | Very low | 34.3 | Very low | 174 Ų | 174 | 128.1 Ų | 128.1 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | trans | 12.5 | 154.7 | 142.8 | -52.6 | -91.1 | 0 | 0 | 0 | 121.2 | | |
| 501 | S | 32.5 | Very low | 34.3 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | cis | -166.4 | 155 | 40 | -46.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 502 | S | 33.4 | Very low | 33.4 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | trans | 62.5 | 153 | 144.1 | 63.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 503 | C | 36.3 | Very low | 33.4 | Very low | 105 Ų | 105 | 131 Ų | 131 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | cis | -168.4 | 144.2 | -14.8 | -108.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 504 | L | 37.2 | Very low | 33.3 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | 63.5 | 154.6 | 145.2 | -55 | 171.4 | 0 | 0 | 0 | 118.6 | | |
| 505 | Q | 37.9 | Very low | 33.4 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | cis | -159 | 172.7 | -3.9 | -134.7 | 166.7 | 5.7 | 0 | 0 | 112.7 | | |
| 506 | A | 32 | Very low | 33.5 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | 61.5 | 115.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 507 | S | 32.5 | Very low | 33.5 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | | 73.1 | 138.9 | 59.9 | 78.5 | 0 | 0 | 0 | 0 | 114 | | |
| 508 | S | 33.1 | Very low | 33.6 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | cis | -178.3 | 158.2 | 1.1 | 38.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 509 | S | 32.2 | Very low | 33.5 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | trans | 67.4 | 170.2 | 160.1 | 81.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 510 | Q | 36.8 | Very low | 32.6 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | | | cis | -152.9 | 134.4 | 8 | -143.7 | 159.4 | 116.2 | 0 | 0 | 111.5 | | |
| 511 | Q | 34.4 | Very low | 32.3 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | | | trans | 41.4 | 147.8 | 133.2 | -58.9 | -171.5 | 31.7 | 0 | 0 | 125.9 | | |
| 512 | T | 31.1 | Very low | 32.2 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | trans | 71.3 | 127.2 | 140.5 | 46.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 513 | A | 31.1 | Very low | 32.1 | Very low | 109 Ų | 109 | 125 Ų | 125 | 90% | 0.901 | 74% | 0.737 | S | S | * | * | | | trans | 62.4 | 155.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 514 | G | 29.1 | Very low | 31.9 | Very low | 69 Ų | 69 | 127 Ų | 127 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | cis | 154.8 | 162.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 515 | S | 31.2 | Very low | 31.5 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | trans | 74.5 | 120.6 | 169 | -140.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 516 | Q | 31.1 | Very low | 31 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | | 63.4 | 137.2 | 128.6 | -75.6 | 179.4 | -5.3 | 0 | 0 | 124.6 | | |
| 517 | H | 30.4 | Very low | 30.9 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | trans | 64.7 | 157.4 | 139.7 | -69.1 | -44.6 | 0 | 0 | 0 | 119 | | |
| 518 | S | 27.1 | Very low | 30.7 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | cis | -157.3 | -174.9 | -10.9 | 38.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 519 | H | 31.8 | Very low | 30.5 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | | | trans | -77.1 | -177.8 | -174.3 | -52.5 | -89.3 | 0 | 0 | 0 | 116.1 | | |
| 520 | S | 28.3 | Very low | 30.3 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | 86.8 | 124 | -179.8 | 79 | 0 | 0 | 0 | 0 | 113.9 | | |
| 521 | N | 28.2 | Very low | 30.6 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | cis | 79.7 | 139.9 | 21.4 | -158.3 | 23.8 | 0 | 0 | 0 | 115.4 | | |
| 522 | T | 30.6 | Very low | 31.4 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | | | trans | 111.1 | 88.8 | 164.6 | -43.1 | 0 | 0 | 0 | 0 | 119 | | |
| 523 | H | 32.6 | Very low | 31.7 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 68% | 0.676 | 75% | 0.749 | S | S | * | * | | | trans | 56 | 124.1 | 130.9 | -69.8 | -87.9 | 0 | 0 | 0 | 125.9 | | |
| 524 | H | 30.6 | Very low | 32.7 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | trans | 80.7 | 155.2 | 130.1 | -69.1 | -44.7 | 0 | 0 | 0 | 124.8 | | |
| 525 | F | 29.5 | Very low | 33 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | | | trans | 69.8 | 151.8 | 169.8 | -55.8 | -73 | 0 | 0 | 0 | 115.7 | | |
| 526 | V | 28 | Very low | 34.9 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | cis | -154.3 | 159.7 | -2.4 | 101.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 527 | H | 28.8 | Very low | 36.1 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 68% | 0.676 | 76% | 0.755 | S | S | * | * | | | trans | -0.2 | 145 | 163.1 | -73.6 | -122.7 | 0 | 0 | 0 | 125.1 | | |
| 528 | H | 29.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | | | | 91.9 | 126.7 | 126 | -82.3 | -31 | 0 | 0 | 0 | 126.5 | | |
| 529 | I | 28.1 | Very low | 36.6 | Very low | 119 Ų | 119 | 137 Ų | 137 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | | | trans | 63.9 | 115.7 | 137.6 | -45.5 | 154.5 | 0 | 0 | 0 | 119.8 | | |
| 530 | H | 29.2 | Very low | 36.8 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | | -175.6 | 142 | 107.4 | -102.7 | -74 | 0 | 0 | 0 | 114.6 | | |
| 531 | H | 41.9 | Very low | 38.5 | Very low | 175 Ų | 175 | 136 Ų | 136 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -79.1 | 174 | 164.2 | -75.4 | -73.2 | 0 | 0 | 0 | 110.4 | | |
| 532 | P | 50.9 | Low | 38.6 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | cis | -154.3 | 178.6 | 30.2 | 45.7 | -24.8 | 0 | 0 | 0 | 120.5 | | |
| 533 | A | 38.7 | Very low | 38.7 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | 55.9 | 162.3 | 138.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 534 | P | 50.7 | Low | 38.5 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | cis | -129.6 | -165.3 | 11.7 | 41 | -21.8 | 0 | 0 | 0 | 116.5 | | |
| 535 | Q | 36.2 | Very low | 39.6 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -124.3 | -148.7 | -174.1 | -37.6 | -176.8 | -31.9 | 0 | 0 | 111.4 | | |
| 536 | P | 70.4 | Confident | 39.6 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | | | cis | -115 | -171.5 | -0.1 | 44.1 | -31.3 | 0 | 0 | 0 | 113.5 | | |
| 537 | P | 56.1 | Low | 39.5 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | cis | -107.9 | -133.2 | -10.4 | 43.3 | -30.5 | 0 | 0 | 0 | 110.2 | | |
| 538 | G | 36 | Very low | 40.9 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | cis | 159.3 | 168.2 | 1.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 539 | T | 32.1 | Very low | 41.2 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | cis | -135.9 | -116.9 | -5.6 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 540 | L | 36.5 | Very low | 41.4 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -154.1 | 156.6 | -171 | -70.8 | 178.5 | 0 | 0 | 0 | 114.2 | | |
| 541 | P | 64 | Low | 41.5 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | | | cis | -120.3 | -147.5 | -10.5 | 36.4 | -15.2 | 0 | 0 | 0 | 110.2 | | |
| 542 | F | 31.1 | Very low | 42 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | cis | -166.5 | -179.8 | -5.5 | -133.8 | 5.6 | 0 | 0 | 0 | 107.6 | | |
| 543 | Q | 31.8 | Very low | 41.1 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | | | cis | -148 | -126.1 | -6.1 | -160.5 | 171.6 | -10.2 | 0 | 0 | 110.7 | | |
| 544 | E | 28.6 | Very low | 40.8 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | | | trans | -167.5 | 177.7 | -160.1 | -116.8 | -167.9 | 105 | 0 | 0 | 111.6 | | |
| 545 | P | 54.2 | Low | 39.9 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | cis | -141.1 | -176.4 | -4.7 | 39.9 | -20.3 | 0 | 0 | 0 | 118.2 | | |
| 546 | S | 29.1 | Very low | 40.6 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | | | trans | 100.1 | 149 | 141.2 | 75.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 547 | C | 26 | Very low | 38.6 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -140 | -152.4 | -171.1 | -43.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 548 | P | 57.1 | Low | 38.3 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | cis | -121.1 | -126.3 | -34.8 | 22.6 | 4.1 | 0 | 0 | 0 | 111.2 | | |
| 549 | V | 37.3 | Very low | 38 | Very low | 115 Ų | 115 | 129 Ų | 129 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | | | cis | -169.5 | 154.2 | -2.2 | 84.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 550 | E | 32.1 | Very low | 37.9 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | trans | 64.3 | 161.1 | 153.2 | -72.4 | -148 | 116.9 | 0 | 0 | 124 | | |
| 551 | R | 31.7 | Very low | 37.6 | Very low | 212 Ų | 212 | 123.7 Ų | 123.7 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | cis | -162.5 | -151.9 | -27.3 | -144.5 | -157.9 | -173.5 | 116.8 | -7.4 | 111 | | |
| 552 | P | 51.5 | Low | 36 | Very low | 98 Ų | 98 | 126 Ų | 126 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | -134.9 | -169.1 | -138.6 | 44.4 | -21.6 | 0 | 0 | 0 | 118.1 | | |
| 553 | S | 31.5 | Very low | 35.9 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | | 151.3 | 151.4 | 126.1 | -66.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 554 | A | 32.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | 72 | 103.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 125.7 | | |
| 555 | L | 32.5 | Very low | 35.8 | Very low | 164 Ų | 164 | 118.7 Ų | 118.7 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | | 3 | 171.7 | 115 | -54.3 | 173.3 | 0 | 0 | 0 | 121.2 | | |
| 556 | P | 51.3 | Low | 34.6 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | | -146.5 | 166.9 | -52.2 | 43.5 | -26.1 | 0 | 0 | 0 | 117.2 | | |
| 557 | A | 27.6 | Very low | 34.7 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | 61.6 | -178.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 558 | P | 49.2 | Very low | 34.9 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | -134.8 | 179.7 | -9.8 | 36.2 | -14.7 | 0 | 0 | 0 | 117.4 | | |
| 559 | C | 29.2 | Very low | 33.7 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | | | trans | 54 | 117.2 | 147.6 | 68.9 | 0 | 0 | 0 | 0 | 125.7 | | |
| 560 | A | 30.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | | | | 57 | 130.4 | 123.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 561 | G | 29.7 | Very low | 33.2 | Very low | 72 Ų | 72 | 115.9 Ų | 115.9 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 171.3 | 131.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 562 | V | 31.4 | Very low | 33.2 | Very low | 157 Ų | 157 | 113.5 Ų | 113.5 | 95% | 0.952 | 77% | 0.767 | S | S | * | * | | | trans | 4.4 | 149.8 | 157.6 | -73.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 563 | G | 28.9 | Very low | 32 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | 149.8 | 120.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 564 | N | 28.3 | Very low | 32.1 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -74.8 | 155.3 | 163.8 | -89.4 | 1.8 | 0 | 0 | 0 | 111 | | |
| 565 | S | 29.1 | Very low | 32 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | 28.6 | 129 | 144.1 | -48.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 566 | S | 30.3 | Very low | 32.1 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | | -174.9 | 165.7 | 79.7 | -69.6 | 0 | 0 | 0 | 0 | 114 | | |
| 567 | S | 31.1 | Very low | 31.6 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 47.2 | 98.3 | 145.3 | 61.3 | 0 | 0 | 0 | 0 | 120 | | |
| 568 | S | 30.5 | Very low | 31.9 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | | 26.3 | 113.8 | 119.5 | 59.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 569 | N | 30.9 | Very low | 31.1 | Very low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | | 168.2 | 152.9 | 129.8 | -85.4 | -19.9 | 0 | 0 | 0 | 108.3 | | |
| 570 | A | 29 | Very low | 31.9 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | cis | -172.4 | -171.2 | -20.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 571 | S | 29.8 | Very low | 32.2 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | 72.9 | 113.4 | 149.9 | -59.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 572 | H | 32.6 | Very low | 32.1 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | | | trans | 68 | 126.7 | 137.2 | -68.8 | -78.2 | 0 | 0 | 0 | 120.1 | | |
| 573 | Y | 26.6 | Very low | 32.1 | Very low | 198 Ų | 198 | 129.7 Ų | 129.7 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | | | | 51.1 | 103.1 | 81.4 | -81.8 | -99.6 | 0 | 0 | 0 | 111.2 | | |
| 574 | H | 33.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | | 178.8 | 166.3 | 92.2 | -95.8 | -80.7 | 0 | 0 | 0 | 109.1 | | |
| 575 | D | 29.9 | Very low | 33.1 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | | | cis | -140.8 | -88.9 | 0.3 | -160.5 | -124.9 | 0 | 0 | 0 | 113.9 | | |
| 576 | Q | 36.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | | | trans | -160.7 | 162.6 | -156.2 | -73.7 | -176.3 | 93.9 | 0 | 0 | 113.4 | | |
| 577 | Q | 39.1 | Very low | 33.8 | Very low | 152 Ų | 152 | 130 Ų | 130 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | | | trans | 64.6 | 143 | 144.6 | -74.3 | 170.4 | 49.8 | 0 | 0 | 120 | | |
| 578 | T | 35.5 | Very low | 34.3 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | cis | -155.5 | 173.5 | -12.2 | 0.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 579 | L | 31.5 | Very low | 34.9 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | | | trans | -64.2 | 176.6 | 179.1 | -61.3 | 176.1 | 0 | 0 | 0 | 114.4 | | |
| 580 | P | 45.5 | Very low | 35 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | | | cis | -151.6 | 163.2 | 22.1 | 44.5 | -23.6 | 0 | 0 | 0 | 121.9 | | |
| 581 | V | 36.5 | Very low | 35.3 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | 64.3 | 145.1 | 136.7 | 169.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 582 | D | 28.3 | Very low | 35.4 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | cis | -144.4 | -160.6 | 16.7 | -145.1 | -22.2 | 0 | 0 | 0 | 115.9 | | |
| 583 | L | 32.4 | Very low | 35.7 | Very low | 148 Ų | 148 | 131 Ų | 131 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -105.5 | 170.6 | -157.6 | -68.3 | 159.3 | 0 | 0 | 0 | 119.7 | | |
| 584 | S | 38.7 | Very low | 36.2 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 79.9 | 150.6 | 141.6 | -80.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 585 | N | 37.6 | Very low | 36.2 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | cis | -171.4 | 155 | -16.6 | -162.4 | -15.9 | 0 | 0 | 0 | 113.2 | | |
| 586 | S | 36.7 | Very low | 36.5 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | 69.9 | 156.3 | 151.1 | -76.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 587 | S | 38.5 | Very low | 36.3 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | cis | -175.4 | -175.9 | -19.9 | -170.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 588 | V | 41.8 | Very low | 36 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | | | trans | 89.6 | 143.9 | 162.6 | 178.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 589 | R | 42.4 | Very low | 35.8 | Very low | 238 Ų | 238 | 125.4 Ų | 125.4 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | | | cis | -167.1 | 168.1 | -27 | -96 | -174.8 | -169.7 | -84.1 | 0.2 | 110.7 | | |
| 590 | G | 33.9 | Very low | 35.8 | Very low | 80 Ų | 80 | 121.4 Ų | 121.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -174.9 | 176.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 591 | G | 35.1 | Very low | 35.2 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | | | cis | 127.1 | 128.9 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 592 | G | 32.6 | Very low | 35.1 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | cis | 169.8 | 138.2 | -15.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 593 | A | 38.7 | Very low | 35.2 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 95% | 0.95 | 82% | 0.819 | S | S | * | * | | | trans | 63.1 | 139.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 594 | G | 37.2 | Very low | 35.4 | Very low | 84 Ų | 84 | 118 Ų | 118 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | cis | 171.5 | 153.7 | -12.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 595 | G | 33.1 | Very low | 35 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | | | trans | 102.6 | 148 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 596 | A | 35.7 | Very low | 35 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | cis | -166 | 161.7 | -12 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 597 | S | 32.4 | Very low | 35.4 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | 86.9 | 154.1 | 158.8 | -65.4 | 0 | 0 | 0 | 0 | 123.6 | | |
| 598 | F | 31.2 | Very low | 35.1 | Very low | 194 Ų | 194 | 122.9 Ų | 122.9 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -100.3 | 172.4 | -165.1 | -77.8 | -111.7 | 0 | 0 | 0 | 113.7 | | |
| 599 | H | 32.9 | Very low | 34.9 | Very low | 185 Ų | 185 | 123.1 Ų | 123.1 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | | | cis | -143.5 | 168.5 | 21.9 | -75.8 | -109.3 | 0 | 0 | 0 | 112.2 | | |
| 600 | G | 30.2 | Very low | 34.4 | Very low | 77 Ų | 77 | 118.2 Ų | 118.2 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | trans | 133.4 | 61.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 601 | S | 34 | Very low | 34.1 | Very low | 112 Ų | 112 | 118 Ų | 118 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | | | trans | -28.9 | 146.7 | 173.6 | -47.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 602 | T | 33.1 | Very low | 33.7 | Very low | 139 Ų | 139 | 119.2 Ų | 119.2 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | cis | -166.8 | 135.9 | -12.7 | 23.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 603 | S | 31.3 | Very low | 33.8 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | | | trans | -121 | 160.1 | 173.5 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 604 | A | 36.8 | Very low | 33.5 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -55.9 | 151.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 605 | F | 29 | Very low | 33.3 | Very low | 198 Ų | 198 | 128 Ų | 128 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | | | trans | -143.2 | 138.3 | 154.2 | -92.6 | -76.8 | 0 | 0 | 0 | 110.8 | | |
| 606 | D | 37.7 | Very low | 34.2 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | -128.8 | 139.1 | 149.1 | 180 | 30.1 | 0 | 0 | 0 | 104 | | |
| 607 | P | 46.1 | Very low | 34.7 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | | -150.3 | 154.1 | 102.7 | 37.4 | -20 | 0 | 0 | 0 | 116.7 | | |
| 608 | C | 32.8 | Very low | 34.6 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | 77.2 | 98.4 | 148 | -69 | 0 | 0 | 0 | 0 | 120 | | |
| 609 | C | 36.8 | Very low | 34.6 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | | | trans | 15 | 138.6 | 133.6 | -53.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 610 | P | 31.8 | Very low | 34.5 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | | -128.2 | 171.1 | 116.1 | 38.9 | -33.8 | 0 | 0 | 0 | 112.8 | | |
| 611 | G | 27.8 | Very low | 34.6 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 111.1 | 93.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 612 | S | 27.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -65.5 | 138.5 | 167.3 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 613 | S | 33 | Very low | 34.3 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -116.6 | 76.6 | 157.5 | -75.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 614 | S | 33.9 | Very low | 34.4 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | -67 | 148.1 | 150.1 | 50 | 0 | 0 | 0 | 0 | 109.5 | | |
| 615 | R | 33.2 | Very low | 34.6 | Very low | 235 Ų | 235 | 130 Ų | 130 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | cis | -163.6 | 171.7 | -16.3 | -119.9 | -166.1 | 172.6 | -146.4 | -0.2 | 105.6 | | |
| 616 | P | 51.8 | Low | 34.5 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -87.6 | -168.2 | -178.6 | 39.1 | -35.8 | 0 | 0 | 0 | 111.5 | | |
| 617 | P | 44.7 | Very low | 35 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | | -140.3 | 173.6 | 85.4 | 39.8 | -26 | 0 | 0 | 0 | 114.9 | | |
| 618 | A | 31.9 | Very low | 34.4 | Very low | 84 Ų | 84 | 122 Ų | 122 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | | | trans | -76.5 | 170.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 619 | Y | 29.8 | Very low | 34.4 | Very low | 219 Ų | 219 | 120.9 Ų | 120.9 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | | | trans | -144.4 | 148.7 | 152.5 | -137 | -89.1 | 0 | 0 | 0 | 111.5 | | |
| 620 | V | 32.2 | Very low | 34.6 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | | | trans | -136.8 | 123.8 | 178.4 | 169.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 621 | S | 32.6 | Very low | 34.6 | Very low | 79 Ų | 79 | 114.2 Ų | 114.2 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | | | trans | 52.9 | 133.3 | 163.1 | -52.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 622 | H | 29.1 | Very low | 34.9 | Very low | 178 Ų | 178 | 116.6 Ų | 116.6 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | | | | 179.5 | 149.9 | 74.3 | -97.7 | -79.2 | 0 | 0 | 0 | 113.2 | | |
| 623 | A | 30.6 | Very low | 35.3 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | | | trans | 68 | 160.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 624 | T | 32.9 | Very low | 35.3 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | | | trans | -84.4 | 167.2 | -172.6 | -12.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 625 | P | 41.6 | Very low | 35.2 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | | | | -141.6 | 174.1 | 76.7 | 35.5 | -16.5 | 0 | 0 | 0 | 115.7 | | |
| 626 | G | 27.7 | Very low | 35.4 | Very low | 66 Ų | 66 | 114.7 Ų | 114.7 | 68% | 0.68 | 69% | 0.693 | S | S | * | * | | | trans | -97.3 | -158.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 627 | P | 48.2 | Very low | 34.5 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 80% | 0.799 | 69% | 0.69 | S | S | * | * | | | cis | -123.3 | -165 | 1 | 41.1 | -24.8 | 0 | 0 | 0 | 113.8 | | |
| 628 | S | 32.9 | Very low | 33.9 | Very low | 88 Ų | 88 | 112.8 Ų | 112.8 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | | | trans | 74 | 128.5 | -177.8 | 78.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 629 | Q | 32 | Very low | 33.8 | Very low | 86 Ų | 86 | 113.8 Ų | 113.8 | 40% | 0.402 | 69% | 0.687 | S | S | . | * | | | cis | 85.7 | 72.4 | -7.7 | -163.1 | 105.8 | -18.3 | 0 | 0 | 119.9 | H839 S840 H841 | Q629-H839 CarbonylContact O-C 3.17Å; Q629-H839 VanDerWaalsContact O-O 3.07Å; Q629-S840 WeakPolarHBondContact CG-O 3.47Å; Q629-S840 CarbonylContact O-C 3.11Å; Q629-S840 VanDerWaalsContact O-CA 3.28Å; Q629-S840 WeakPolarHBondContact O-CA 3.42Å; Q629-S840 PolarHBondContact O-N 2.89Å; Q629-H841 CarbonylContact C-O 3.39Å; Q629-H841 VanDerWaalsContact C-O 3.29Å; Q629-H841 PolarHBondContact O-N 2.86Å |
| 630 | P | 41.7 | Very low | 34 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 58% | 0.584 | 69% | 0.688 | S | S | * | * | | | trans | -139.4 | 156 | 155.3 | 37.1 | -22 | 0 | 0 | 0 | 115.2 | H839 H841 | P630-H839 HydrophobicContact CB-CB 4.28Å; P630-H841 CarbonylContact C-O 3.58Å; P630-H841 VanDerWaalsContact C-O 3.23Å; P630-H841 WeakPolarHBondContact CA-O 2.91Å; P630-H841 VanDerWaalsContact N-O 3.09Å |
| 631 | A | 30.9 | Very low | 34.1 | Very low | 31 Ų | 31 | 113.1 Ų | 113.1 | 26% | 0.256 | 70% | 0.696 | S | S | . | * | | | cis | -168.8 | 158.8 | -22.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | S840 | A631-S840 VanDerWaalsContact CB-OG 3.24Å; A631-S840 WeakPolarHBondContact CB-OG 3.18Å |
| 632 | V | 34.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 113.4 Ų | 113.4 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | | | trans | 57 | 171.1 | 168.9 | -87 | 0 | 0 | 0 | 0 | 117.4 | | |
| 633 | V | 36.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 71% | 0.709 | 70% | 0.701 | S | S | * | * | | | cis | -170.4 | 145.5 | -22.1 | 57.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 634 | D | 33.1 | Very low | 35 | Very low | 127 Ų | 127 | 111 Ų | 111 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | | | cis | -140.8 | 155.5 | -11.9 | -120 | -16.5 | 0 | 0 | 0 | 107.9 | | |
| 635 | S | 30.7 | Very low | 35 | Very low | 83 Ų | 83 | 109.2 Ų | 109.2 | 58% | 0.58 | 66% | 0.663 | S | S | * | * | | | | 50 | 110.7 | 83.5 | -43.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 636 | F | 39.1 | Very low | 34.6 | Very low | 209 Ų | 209 | 108.7 Ų | 108.7 | 92% | 0.917 | 66% | 0.657 | S | S | * | * | | | | -156.3 | 117.6 | 123.6 | -92 | -76 | 0 | 0 | 0 | 106.6 | | |
| 637 | S | 32.7 | Very low | 34.7 | Very low | 92 Ų | 92 | 113.3 Ų | 113.3 | 64% | 0.643 | 66% | 0.661 | S | S | * | * | | | cis | 122.9 | 137.6 | 17.7 | 169.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 638 | S | 31.3 | Very low | 34.3 | Very low | 99 Ų | 99 | 112.7 Ų | 112.7 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | | | cis | -160.9 | 172.6 | -11.7 | -87.1 | 0 | 0 | 0 | 0 | 110 | | |
| 639 | S | 29.7 | Very low | 34.3 | Very low | 106 Ų | 106 | 116.6 Ų | 116.6 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | | | trans | -70.4 | -166.5 | 154.4 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 640 | M | 34.9 | Very low | 35 | Very low | 177 Ų | 177 | 117.7 Ų | 117.7 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | | | trans | 80 | 133 | 175 | -41.7 | -177.4 | -155.2 | 0 | 0 | 112.6 | | |
| 641 | V | 34 | Very low | 34.4 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 87% | 0.867 | 69% | 0.689 | S | S | * | * | S | Bend | cis | -127.3 | 162.4 | 22.9 | 170.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 642 | A | 32.5 | Very low | 34.4 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 85.6 | 131.9 | 165 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 643 | Q | 34 | Very low | 34.3 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | | | trans | 66.7 | 145.2 | 168.4 | -83.9 | -166.6 | -73.6 | 0 | 0 | 117.3 | L666 | Q643-L666 WeakPolarHBondContact O-CD1 3.26Š|
| 644 | P | 45.1 | Very low | 33.9 | Very low | 56 Ų | 56 | 136.8 Ų | 136.8 | 36% | 0.364 | 73% | 0.733 | S | S | . | * | | | | -88.7 | 0 | -115.2 | 22.5 | -0.5 | 0 | 0 | 0 | 127.9 | L666 H667 | P644-L666 VanDerWaalsContact CB-C 3.44Å; P644-L666 HydrophobicContact CB-CB 4.42Å; P644-L666 WeakPolarHBondContact CD-O 3.3Å; P644-L666 VanDerWaalsContact CG-C 3.44Å; P644-L666 HydrophobicContact CG-CB 4.47Å; P644-L666 VanDerWaalsContact CG-O 3.26Å; P644-L666 WeakPolarHBondContact CG-O 3.45Å; P644-H667 VanDerWaalsContact C-CD2 3.45Å; P644-H667 VanDerWaalsContact C-CG 3.44Å; P644-H667 VanDerWaalsContact C-N 3.32Å; P644-H667 VanDerWaalsContact CB-CA 3.4Å; P644-H667 HydrophobicContact CB-CB 3.04Å; P644-H667 HydrophobicContact CG-CB 4.38Å; P644-H667 PolarHBondContact O-CD2 2.89Å; P644-H667 VanDerWaalsContact O-CD2 3.31Å |
| 645 | Q | 32.1 | Very low | 33.6 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 45% | 0.449 | 73% | 0.734 | S | S | . | * | | | | 0 | 178.5 | 0 | -168.3 | 150.5 | -31.9 | 0 | 0 | 122.1 | L666 H667 | Q645-L666 HydrophobicContact CB-CB 3.54Å; Q645-L666 HydrophobicContact CB-CD2 3.18Å; Q645-L666 HydrophobicContact CB-CG 3.63Å; Q645-L666 HydrophobicContact CG-CB 4.37Å; Q645-L666 HydrophobicContact CG-CD2 4.2Å; Q645-L666 HydrophobicContact CG-CG 4.44Å; Q645-L666 VanDerWaalsContact OE1-CG 3.29Å; Q645-H667 PolarHBondContact N-CD2 3.49Å; Q645-H667 VanDerWaalsContact O-CA 3.24Å; Q645-H667 WeakPolarHBondContact O-CA 3.29Å; Q645-H667 PolarHBondContact O-CD2 3.5Å; Q645-H667 VanDerWaalsContact O-CG 3.31Å |
| 646 | T | 33.1 | Very low | 33.6 | Very low | 113 Ų | 113 | 142 Ų | 142 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | | | trans | -88.1 | 177.8 | -159.5 | 47.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 647 | Q | 29.7 | Very low | 33 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | trans | -110 | -152.6 | -176.8 | -156.4 | -161.7 | 15.6 | 0 | 0 | 112.5 | | |
| 648 | P | 39.9 | Very low | 33.8 | Very low | 109 Ų | 109 | 141 Ų | 141 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | | | | -101.8 | -171.8 | -110.3 | 39.1 | -26 | 0 | 0 | 0 | 119.7 | | |
| 649 | Q | 33 | Very low | 33.8 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | | | trans | -60.7 | 174.4 | 171.8 | -66.3 | -83 | -13.7 | 0 | 0 | 114.8 | | |
| 650 | P | 46.5 | Very low | 33.8 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | cis | -141.2 | 179.4 | 10.5 | 43.5 | -24.4 | 0 | 0 | 0 | 118.6 | | |
| 651 | C | 29.1 | Very low | 33.6 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | | | trans | 30.3 | 117.4 | 150.2 | -62.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 652 | R | 30 | Very low | 33.4 | Very low | 256 Ų | 256 | 142.8 Ų | 142.8 | 97% | 0.966 | 74% | 0.743 | S | S | * | * | | | | -174.8 | 168.7 | 127.3 | -109.1 | -178.7 | -176.4 | -156.7 | 1 | 114.3 | | |
| 653 | H | 33 | Very low | 33.5 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | -97.1 | 133.9 | 172.7 | -75.2 | 85 | 0 | 0 | 0 | 111.8 | | |
| 654 | Y | 28.4 | Very low | 33.4 | Very low | 211 Ų | 211 | 147.7 Ų | 147.7 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | | | | 176 | 136 | 120.3 | -129.7 | -111.1 | 0 | 0 | 0 | 113.3 | | |
| 655 | M | 27.6 | Very low | 32.6 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | trans | 33.7 | 149.2 | 153.2 | -77.3 | -61.8 | -162.2 | 0 | 0 | 126.9 | | |
| 656 | H | 28.7 | Very low | 32.6 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | | | trans | 85.1 | 138 | 153.2 | -83.3 | -72.1 | 0 | 0 | 0 | 123 | | |
| 657 | Q | 28.2 | Very low | 32.6 | Very low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | | | trans | -79.9 | 174.3 | 168.8 | -90 | -169.4 | -9 | 0 | 0 | 111.5 | | |
| 658 | P | 47.8 | Very low | 32.7 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | | | cis | -145.4 | -174.5 | 25 | 44.3 | -24.6 | 0 | 0 | 0 | 118.5 | | |
| 659 | Y | 31.9 | Very low | 32.4 | Very low | 233 Ų | 233 | 147 Ų | 147 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | | | trans | 55.5 | 131 | 159.1 | -75.4 | -74.6 | 0 | 0 | 0 | 122.1 | | |
| 660 | G | 29.7 | Very low | 32.9 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | | | trans | 118.5 | 97.2 | 131.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 661 | S | 30.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | 60 | 121.1 | 131.8 | -153.6 | 0 | 0 | 0 | 0 | 124 | | |
| 662 | L | 31.5 | Very low | 32.6 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | trans | 62 | 96.4 | 141.7 | -65.3 | 174.1 | 0 | 0 | 0 | 123 | | |
| 663 | T | 33.1 | Very low | 32.7 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | | 43.3 | 124.9 | 124.9 | 58.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 664 | R | 32.4 | Very low | 32.7 | Very low | 229 Ų | 229 | 134.7 Ų | 134.7 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | | | trans | 97.8 | 94.4 | 133.9 | -159.5 | 170.9 | -175 | -172 | -0.3 | 120.2 | | |
| 665 | S | 29.1 | Very low | 33.7 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 50% | 0.497 | 72% | 0.723 | S | S | . | * | | | | 79.4 | 146.6 | 125.7 | -67.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 666 | L | 30.9 | Very low | 33.8 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 43% | 0.429 | 73% | 0.728 | S | S | . | * | | | cis | 175.2 | 0 | 10.4 | -94 | 161.8 | 0 | 0 | 0 | 104.7 | Q643 P644 Q645 | Q643-L666 WeakPolarHBondContact O-CD1 3.26Å; P644-L666 VanDerWaalsContact CB-C 3.44Å; P644-L666 HydrophobicContact CB-CB 4.42Å; P644-L666 WeakPolarHBondContact CD-O 3.3Å; P644-L666 VanDerWaalsContact CG-C 3.44Å; P644-L666 HydrophobicContact CG-CB 4.47Å; P644-L666 VanDerWaalsContact CG-O 3.26Å; P644-L666 WeakPolarHBondContact CG-O 3.45Å; Q645-L666 HydrophobicContact CB-CB 3.54Å; Q645-L666 HydrophobicContact CB-CD2 3.18Å; Q645-L666 HydrophobicContact CB-CG 3.63Å; Q645-L666 HydrophobicContact CG-CB 4.37Å; Q645-L666 HydrophobicContact CG-CD2 4.2Å; Q645-L666 HydrophobicContact CG-CG 4.44Å; Q645-L666 VanDerWaalsContact OE1-CG 3.29Å |
| 667 | H | 34.3 | Very low | 33.9 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 45% | 0.454 | 72% | 0.719 | S | S | . | * | | | | 0 | 176 | 0 | -141.7 | -153.4 | 0 | 0 | 0 | 109.5 | P644 Q645 | P644-H667 VanDerWaalsContact C-CD2 3.45Å; P644-H667 VanDerWaalsContact C-CG 3.44Å; P644-H667 VanDerWaalsContact C-N 3.32Å; P644-H667 VanDerWaalsContact CB-CA 3.4Å; P644-H667 HydrophobicContact CB-CB 3.04Å; P644-H667 HydrophobicContact CG-CB 4.38Å; P644-H667 PolarHBondContact O-CD2 2.89Å; P644-H667 VanDerWaalsContact O-CD2 3.31Å; Q645-H667 PolarHBondContact N-CD2 3.49Å; Q645-H667 VanDerWaalsContact O-CA 3.24Å; Q645-H667 WeakPolarHBondContact O-CA 3.29Å; Q645-H667 PolarHBondContact O-CD2 3.5Å; Q645-H667 VanDerWaalsContact O-CG 3.31Å |
| 668 | H | 32 | Very low | 34.1 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 54% | 0.537 | 72% | 0.723 | S | S | . | * | | | trans | 6.1 | 131.6 | 140.6 | -68.6 | -144.4 | 0 | 0 | 0 | 120.1 | | |
| 669 | Q | 32.9 | Very low | 33.2 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | | | | 76.5 | 142.5 | 66.3 | -61.5 | -110 | 24.4 | 0 | 0 | 114.5 | | |
| 670 | P | 44.3 | Very low | 33.2 | Very low | 121 Ų | 121 | 121.9 Ų | 121.9 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | cis | -124.2 | -174.4 | -21.6 | 30.8 | -10.1 | 0 | 0 | 0 | 112.9 | | |
| 671 | S | 32.8 | Very low | 34.1 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | | | trans | -103.3 | 139.2 | -164.8 | 55 | 0 | 0 | 0 | 0 | 116.7 | | |
| 672 | S | 34.8 | Very low | 34.5 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | | | trans | -168.5 | 158.1 | 136 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 673 | A | 34.1 | Very low | 34.5 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | | | trans | 68.7 | 154.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 674 | C | 31.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 126 Ų | 126 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | | | trans | -135.3 | -171.8 | 179.7 | -45.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 675 | P | 49.3 | Very low | 35.4 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | | | cis | -134.3 | -174.9 | -10.8 | 21.9 | 4.6 | 0 | 0 | 0 | 114 | | |
| 676 | H | 31 | Very low | 35.6 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | | | trans | 69 | 159.6 | 163.7 | -49.2 | -65.5 | 0 | 0 | 0 | 118.6 | | |
| 677 | S | 30.6 | Very low | 36.6 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | cis | -172.7 | 143.8 | -36.4 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 678 | H | 32 | Very low | 37.8 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | | | trans | 60.8 | 155.3 | 165.8 | -64.8 | -78.3 | 0 | 0 | 0 | 119.5 | | |
| 679 | G | 29.7 | Very low | 38.5 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | 143.3 | 77 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 680 | T | 30.8 | Very low | 38.6 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | -82.1 | 169.2 | 147.1 | 14.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 681 | P | 49.1 | Very low | 38.1 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | cis | -137.2 | -170.6 | 4 | 40.8 | -20.7 | 0 | 0 | 0 | 116.5 | | |
| 682 | Q | 38.5 | Very low | 37.9 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | -11.9 | 150.7 | 156.2 | -163 | -148 | 84.5 | 0 | 0 | 120.9 | | |
| 683 | L | 31.2 | Very low | 37.8 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -161.4 | 162.2 | 134.9 | -109.4 | 167.6 | 0 | 0 | 0 | 115.1 | | |
| 684 | T | 36.5 | Very low | 37.9 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | | | trans | -84.8 | 169.4 | 176.7 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 685 | P | 48.7 | Very low | 37.9 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | | -157.2 | -172.2 | 53.8 | 44.2 | -20.1 | 0 | 0 | 0 | 120.2 | | |
| 686 | Q | 33.8 | Very low | 37.8 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -85.3 | -176.7 | 168.8 | -109.6 | -143.2 | 21.3 | 0 | 0 | 111.9 | | |
| 687 | P | 51.9 | Low | 37.9 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | cis | -139.7 | -136.4 | 26 | 49.7 | -27.6 | 0 | 0 | 0 | 114.9 | | |
| 688 | P | 58.1 | Low | 37.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | trans | -123.7 | -160.8 | -143.8 | 40.5 | -14.8 | 0 | 0 | 0 | 114.1 | | |
| 689 | P | 47.6 | Very low | 37.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | | -153.9 | -178.5 | 77.8 | 38.3 | -16 | 0 | 0 | 0 | 117.2 | | |
| 690 | Q | 34.2 | Very low | 37.7 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | 67.1 | 139.5 | 170.3 | -39.4 | -59.2 | -21.4 | 0 | 0 | 117.3 | | |
| 691 | G | 33.6 | Very low | 37.8 | Very low | 62 Ų | 62 | 136.9 Ų | 136.9 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | | | cis | 166.9 | 128.8 | -11.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 692 | E | 28.8 | Very low | 37.7 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | | | trans | 42.6 | 156.9 | 137.3 | -48.7 | -157.7 | 129.5 | 0 | 0 | 122.3 | | |
| 693 | F | 32.6 | Very low | 37.5 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 77% | 0.772 | 75% | 0.748 | S | S | * | * | | | cis | -162.1 | 172.9 | -32 | -122.2 | -83.3 | 0 | 0 | 0 | 107.5 | | |
| 694 | L | 36.6 | Very low | 38.2 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | -42.8 | 154 | 179 | -58.4 | 162.5 | 0 | 0 | 0 | 119 | | |
| 695 | I | 31.9 | Very low | 37.9 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | trans | -155.2 | 138.1 | 142.5 | -100.7 | 153.8 | 0 | 0 | 0 | 110.9 | | |
| 696 | P | 46.1 | Very low | 37.5 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 58% | 0.578 | 75% | 0.748 | S | S | * | * | | | trans | -118.5 | -175.6 | 169.5 | 26.4 | -6.2 | 0 | 0 | 0 | 114.1 | | |
| 697 | H | 33 | Very low | 38.1 | Very low | 173 Ų | 173 | 135 Ų | 135 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | | | trans | 75.4 | 156.2 | 176.1 | -41.8 | -74.7 | 0 | 0 | 0 | 114.8 | | |
| 698 | S | 28.3 | Very low | 37.2 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | | | cis | -160.2 | -173.8 | -0.6 | -134.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 699 | F | 30.1 | Very low | 35.9 | Very low | 178 Ų | 178 | 133 Ų | 133 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | 76.3 | 148.8 | 167.9 | -50.6 | -72.7 | 0 | 0 | 0 | 117.4 | | |
| 700 | H | 31.3 | Very low | 35.3 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | cis | -146.7 | 151 | -1.5 | -130.5 | -60.8 | 0 | 0 | 0 | 112.3 | | |
| 701 | T | 32.9 | Very low | 35.2 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | trans | -74 | 165.7 | 168.1 | 27.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 702 | P | 46.1 | Very low | 35.2 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | cis | -148.8 | -176 | 41.6 | 43.1 | -21.3 | 0 | 0 | 0 | 120.1 | | |
| 703 | L | 33.2 | Very low | 36.9 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -57.3 | 175.5 | 161.1 | -103.7 | 71.7 | 0 | 0 | 0 | 113.4 | | |
| 704 | P | 46.5 | Very low | 37.7 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | cis | -132.7 | -170.6 | 21.3 | 45.6 | -28.3 | 0 | 0 | 0 | 114 | | |
| 705 | S | 31.2 | Very low | 37.5 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | cis | -155.6 | 140.3 | 1.6 | 7.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 706 | H | 39.4 | Very low | 38.7 | Very low | 184 Ų | 184 | 127 Ų | 127 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | | | trans | -82.3 | 163.3 | 153 | -79 | -66.7 | 0 | 0 | 0 | 109.2 | | |
| 707 | P | 45.9 | Very low | 39.3 | Very low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | | -157.6 | 169.4 | 66.9 | 43.2 | -21.9 | 0 | 0 | 0 | 120.2 | | |
| 708 | A | 33.8 | Very low | 40.7 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | | | trans | 61.5 | 152.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 709 | G | 30.7 | Very low | 42 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | cis | -178.6 | 178.1 | -2.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 710 | H | 35.5 | Very low | 42.1 | Very low | 189 Ų | 189 | 125.8 Ų | 125.8 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | | | trans | -51.3 | 149.5 | -175.1 | -47 | -98.1 | 0 | 0 | 0 | 117.1 | | |
| 711 | S | 31.2 | Very low | 42.2 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | | 166.9 | -177.9 | 119 | 51 | 0 | 0 | 0 | 0 | 112.4 | | |
| 712 | V | 34.9 | Very low | 42.3 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | | | trans | -125.3 | -171.3 | -168.8 | -123.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 713 | P | 64.8 | Low | 41.8 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | -89.2 | 176.1 | -151.8 | 45.1 | -41.2 | 0 | 0 | 0 | 113.3 | | |
| 714 | P | 49.2 | Very low | 41.7 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | | -160.3 | 156.6 | 87.1 | 41.8 | -21.3 | 0 | 0 | 0 | 119.8 | | |
| 715 | A | 31.2 | Very low | 41.1 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | 70.4 | 172.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 716 | P | 57.8 | Low | 41.9 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | -124.7 | -142.6 | -158.5 | 47.3 | -32.6 | 0 | 0 | 0 | 112.3 | | |
| 717 | P | 59.4 | Low | 41.6 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | cis | -117.3 | -144.5 | -32.1 | 41.9 | -24.6 | 0 | 0 | 0 | 109.4 | | |
| 718 | P | 60.6 | Low | 41 | Very low | 115 Ų | 115 | 123 Ų | 123 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | | | cis | -121.6 | -134 | -11.2 | 30.5 | -2.9 | 0 | 0 | 0 | 110.4 | | |
| 719 | P | 55.8 | Low | 41 | Very low | 115 Ų | 115 | 124 Ų | 124 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | cis | -141.9 | -153.8 | -5.2 | 46.8 | -24.6 | 0 | 0 | 0 | 117.3 | | |
| 720 | L | 32.9 | Very low | 41 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -20 | 140.2 | 174.3 | -50.2 | -179.4 | 0 | 0 | 0 | 119 | | |
| 721 | S | 34.1 | Very low | 41.8 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | cis | -152.4 | 138.3 | 41.8 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 722 | A | 35 | Very low | 41.9 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | | 63.5 | 133.8 | 94.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 723 | H | 34.5 | Very low | 41.9 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -158.7 | 157.7 | 26.5 | -117 | -74.4 | 0 | 0 | 0 | 114 | | |
| 724 | H | 32.3 | Very low | 40.5 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 79% | 0.787 | 77% | 0.768 | S | S | * | * | | | trans | 75.7 | 122.4 | 157.5 | -62.9 | -59.2 | 0 | 0 | 0 | 123.9 | | |
| 725 | L | 34 | Very low | 39.8 | Very low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | -73.9 | 172.9 | 169.5 | -78.7 | 157.4 | 0 | 0 | 0 | 113.5 | | |
| 726 | P | 48.1 | Very low | 39.8 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | cis | -115.1 | -146.2 | 12.1 | 28.3 | -4.6 | 0 | 0 | 0 | 112.3 | | |
| 727 | T | 31.4 | Very low | 39.5 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | cis | -162.5 | 174.4 | 15.4 | -15.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 728 | S | 34.1 | Very low | 39 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -157.1 | -172.5 | 5.7 | -158.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 729 | T | 32.6 | Very low | 37.5 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -93.7 | 150.6 | -179.2 | 50.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 730 | V | 31.8 | Very low | 36.6 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | -139.1 | 137.2 | 168.2 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 731 | P | 51.9 | Low | 36.8 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -99 | -179 | -179.5 | 39.2 | -36.2 | 0 | 0 | 0 | 114.5 | | |
| 732 | L | 33.3 | Very low | 36.7 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -110 | 138.8 | 172.2 | -98 | 72.8 | 0 | 0 | 0 | 112.8 | | |
| 733 | A | 35.1 | Very low | 37 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | | 41 | 151.1 | 124.9 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 734 | Q | 36.3 | Very low | 36.8 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | 101 | 144.2 | 149 | -61.3 | -167.2 | 6.4 | 0 | 0 | 122.2 | | |
| 735 | H | 32.8 | Very low | 37.1 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | trans | 75.8 | 165 | 160.7 | -83.3 | -73.7 | 0 | 0 | 0 | 121.7 | | |
| 736 | L | 31.9 | Very low | 37 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -111.9 | -149.4 | -160.7 | -67.1 | 157.7 | 0 | 0 | 0 | 111.8 | | |
| 737 | P | 51.6 | Low | 36.3 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | | -101 | -164.2 | -123.4 | 40.2 | -19.8 | 0 | 0 | 0 | 112.1 | | |
| 738 | P | 48.7 | Very low | 36.7 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | | | cis | -139.3 | -167.6 | 7.8 | 44.8 | -25 | 0 | 0 | 0 | 116.9 | | |
| 739 | D | 29.9 | Very low | 37.8 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | 57.5 | 111.4 | 157.2 | -60.6 | -40.1 | 0 | 0 | 0 | 120.9 | | |
| 740 | H | 36.2 | Very low | 38.1 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | | | | -172.5 | 174.1 | 101 | -97.2 | -70.1 | 0 | 0 | 0 | 111.5 | | |
| 741 | Q | 37 | Very low | 38.7 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -89.4 | 136.8 | -162.1 | -56.7 | 166.4 | -3.4 | 0 | 0 | 114.2 | | |
| 742 | T | 32.6 | Very low | 38.4 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | | 168.3 | 138 | 102.9 | 35.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 743 | L | 40.7 | Very low | 39.1 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | 30.6 | 103.1 | 150.2 | -68.3 | 162.8 | 0 | 0 | 0 | 120.1 | | |
| 744 | Q | 30.6 | Very low | 39.7 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | | | | -151.3 | 158.4 | 123 | -83.8 | -133.5 | -16.9 | 0 | 0 | 110.6 | | |
| 745 | H | 37.9 | Very low | 40.5 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | | | trans | -83 | 126.2 | -168.5 | -64.5 | -93.8 | 0 | 0 | 0 | 113.2 | | |
| 746 | H | 33.1 | Very low | 41.5 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | | | trans | -137.5 | 128.5 | 164.1 | -88.7 | -86.6 | 0 | 0 | 0 | 110.2 | | |
| 747 | M | 32.4 | Very low | 42.1 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | | | trans | -105.5 | 127.2 | 162.6 | -71.9 | -149.6 | 74.6 | 0 | 0 | 109.9 | | |
| 748 | P | 40.8 | Very low | 42.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | | | trans | -90.5 | 168.2 | 171.2 | 35.5 | -32.6 | 0 | 0 | 0 | 112.6 | | |
| 749 | P | 56.1 | Low | 43.4 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | | | trans | -119.4 | 153.9 | -152.6 | 40.4 | -30.5 | 0 | 0 | 0 | 117.3 | | |
| 750 | L | 38.8 | Very low | 45.1 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | | | trans | -148.8 | 162 | 156.3 | -66.9 | 178.7 | 0 | 0 | 0 | 107.3 | | |
| 751 | G | 44.8 | Very low | 46.7 | Very low | 37 Ų | 37 | 132.4 Ų | 132.4 | 38% | 0.381 | 68% | 0.682 | S | S | . | * | | | cis | -172.9 | 173.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S753 | G751-S753 PolarHBondContact O-N 3.42Š|
| 752 | P | 46.3 | Very low | 48.5 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 28.6 | -156.6 | 34.5 | -39 | 0 | 0 | 0 | 117.2 | | |
| 753 | S | 47.1 | Very low | 50.7 | Low | 80 Ų | 80 | 127.9 Ų | 127.9 | 56% | 0.559 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -47 | -176 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | G751 Q755 R756 | G751-S753 PolarHBondContact O-N 3.42Å; S753-Q755 PolarHBondContact O-N 3.08Å; S753-R756 PolarHBondContact O-N 3.09Å |
| 754 | V | 48.9 | Very low | 52.6 | Low | 42 Ų | 42 | 125.9 Ų | 125.9 | 26% | 0.255 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -61.1 | -40.6 | -167.2 | -177 | 0 | 0 | 0 | 0 | 112.6 | V380 R756 M757 H758 | V380-V754 HydrophobicContact CG2-CB 4.48Å; V380-V754 HydrophobicContact CG2-CG1 4.26Å; V754-R756 VanDerWaalsContact C-N 3.29Å; V754-R756 PolarHBondContact O-N 2.87Å; V754-M757 WeakPolarHBondContact O-CB 3.4Å; V754-M757 PolarHBondContact O-N 3.13Å; V754-M757 VanDerWaalsContact O-N 3.09Å; V754-H758 PolarHBondContact O-N 2.8Å |
| 755 | Q | 52.1 | Low | 54.7 | Low | 145 Ų | 145 | 123.3 Ų | 123.3 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.2 | -28.9 | -174.9 | -155.6 | 170.3 | 41.1 | 0 | 0 | 113 | S753 Q759 | S753-Q755 PolarHBondContact O-N 3.08Å; Q755-Q759 WeakPolarHBondContact O-CB 3.37Å; Q755-Q759 PolarHBondContact O-N 2.72Å |
| 756 | R | 53.2 | Low | 56.4 | Low | 207 Ų | 207 | 120.4 Ų | 120.4 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.2 | -38.4 | 173.2 | -169.2 | -178.8 | -65 | 169.4 | 1.3 | 111.5 | S753 V754 H760 | S753-R756 PolarHBondContact O-N 3.09Å; V754-R756 VanDerWaalsContact C-N 3.29Å; V754-R756 PolarHBondContact O-N 2.87Å; R756-H760 PolarHBondContact O-N 3.47Å |
| 757 | M | 45.1 | Very low | 58.6 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 69% | 0.69 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.4 | -46.6 | 175.7 | -161.2 | -168.5 | -53.6 | 0 | 0 | 110.9 | V754 Q759 H760 E761 | V754-M757 WeakPolarHBondContact O-CB 3.4Å; V754-M757 PolarHBondContact O-N 3.13Å; V754-M757 VanDerWaalsContact O-N 3.09Å; M757-Q759 VanDerWaalsContact C-N 3.35Å; M757-Q759 PolarHBondContact O-N 3.44Å; M757-H760 PolarHBondContact O-N 2.99Å; M757-E761 WeakPolarHBondContact O-CB 3.41Å; M757-E761 PolarHBondContact O-N 3.08Å |
| 758 | H | 61.8 | Low | 60.6 | Low | 113 Ų | 113 | 108.5 Ų | 108.5 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.3 | -38.8 | 178.2 | -159.8 | 86.7 | 0 | 0 | 0 | 112.4 | V754 E761 M762 | V754-H758 PolarHBondContact O-N 2.8Å; H758-E761 PolarHBondContact O-N 2.87Å; H758-M762 WeakPolarHBondContact O-CB 3.32Å; H758-M762 PolarHBondContact O-N 2.77Å |
| 759 | Q | 65.3 | Low | 62.2 | Low | 132 Ų | 132 | 109 Ų | 109 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.2 | -42.4 | 174.3 | -169.2 | -177.8 | 97.4 | 0 | 0 | 112 | Q755 M757 M762 L763 | Q755-Q759 WeakPolarHBondContact O-CB 3.37Å; Q755-Q759 PolarHBondContact O-N 2.72Å; M757-Q759 VanDerWaalsContact C-N 3.35Å; M757-Q759 PolarHBondContact O-N 3.44Å; Q759-M762 PolarHBondContact O-N 3.05Å; Q759-L763 HydrophobicContact CG-CD1 4.26Å; Q759-L763 WeakPolarHBondContact O-CB 3.09Å; Q759-L763 VanDerWaalsContact O-CG 3.31Å; Q759-L763 WeakPolarHBondContact O-CG 3.32Å; Q759-L763 PolarHBondContact O-N 2.9Å |
| 760 | H | 66.6 | Low | 62.9 | Low | 120 Ų | 120 | 110 Ų | 110 | 56% | 0.556 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 174.7 | -169.5 | 98.8 | 0 | 0 | 0 | 111.4 | R756 M757 L763 Q764 | R756-H760 PolarHBondContact O-N 3.47Å; M757-H760 PolarHBondContact O-N 2.99Å; H760-L763 PolarHBondContact O-N 3.36Å; H760-Q764 VanDerWaalsContact O-CB 3.27Å; H760-Q764 WeakPolarHBondContact O-CB 3.33Å; H760-Q764 PolarHBondContact O-N 2.88Å |
| 761 | E | 69.8 | Low | 64.1 | Low | 77 Ų | 77 | 109.4 Ų | 109.4 | 36% | 0.36 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 178.9 | -156.4 | -163.9 | -167 | 0 | 0 | 112 | M757 H758 Q764 R765 | M757-E761 WeakPolarHBondContact O-CB 3.41Å; M757-E761 PolarHBondContact O-N 3.08Å; H758-E761 PolarHBondContact O-N 2.87Å; E761-Q764 PolarHBondContact O-N 3.35Å; E761-R765 WeakPolarHBondContact O-CG 3.36Å; E761-R765 PolarHBondContact O-N 2.83Å; E761-R765 IonicContact OE1-CZ 3.25Å; E761-R765 IonicContact OE1-NH1 3.66Å; E761-R765 PolarHBondContact OE1-NH1 2.86Å; E761-R765 IonicContact OE1-NH2 2.67Å; E761-R765 PolarHBondContact OE1-NH2 3.03Å; E761-R765 IonicContact OE2-CZ 2.72Å; E761-R765 IonicContact OE2-NH1 2.68Å; E761-R765 PolarHBondContact OE2-NH1 3Å; E761-R765 IonicContact OE2-NH2 3.82Å; E761-R765 PolarHBondContact OE2-NH2 3.19Å |
| 762 | M | 75.6 | Confident | 65.1 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 51% | 0.512 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 175.6 | -156.3 | -174.8 | 84.4 | 0 | 0 | 112.1 | H758 Q759 Q764 R765 M766 | H758-M762 WeakPolarHBondContact O-CB 3.32Å; H758-M762 PolarHBondContact O-N 2.77Å; Q759-M762 PolarHBondContact O-N 3.05Å; M762-Q764 VanDerWaalsContact C-N 3.33Å; M762-R765 PolarHBondContact O-N 2.81Å; M762-M766 WeakPolarHBondContact O-CB 3.43Å; M762-M766 WeakPolarHBondContact O-CG 3.4Å; M762-M766 PolarHBondContact O-N 2.85Å |
| 763 | L | 77.1 | Confident | 65.8 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 170.2 | -75.4 | 169.7 | 0 | 0 | 0 | 111.4 | Q759 H760 M766 E767 | Q759-L763 HydrophobicContact CG-CD1 4.26Å; Q759-L763 WeakPolarHBondContact O-CB 3.09Å; Q759-L763 VanDerWaalsContact O-CG 3.31Å; Q759-L763 WeakPolarHBondContact O-CG 3.32Å; Q759-L763 PolarHBondContact O-N 2.9Å; H760-L763 PolarHBondContact O-N 3.36Å; L763-M766 PolarHBondContact O-N 2.82Å; L763-E767 VanDerWaalsContact O-CB 3.3Å; L763-E767 WeakPolarHBondContact O-CB 3.41Å; L763-E767 PolarHBondContact O-N 3.48Å |
| 764 | Q | 81.1 | Confident | 66.4 | Low | 110 Ų | 110 | 120.7 Ų | 120.7 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 177 | -164.4 | -179.5 | 81.8 | 0 | 0 | 111.6 | H760 E761 M762 E767 V768 | H760-Q764 VanDerWaalsContact O-CB 3.27Å; H760-Q764 WeakPolarHBondContact O-CB 3.33Å; H760-Q764 PolarHBondContact O-N 2.88Å; E761-Q764 PolarHBondContact O-N 3.35Å; M762-Q764 VanDerWaalsContact C-N 3.33Å; Q764-E767 PolarHBondContact O-N 3.24Å; Q764-V768 WeakPolarHBondContact O-CB 3.34Å; Q764-V768 VanDerWaalsContact O-CG2 3.25Å; Q764-V768 WeakPolarHBondContact O-CG2 3.32Å; Q764-V768 PolarHBondContact O-N 3.41Å |
| 765 | R | 75.8 | Confident | 66.2 | Low | 135 Ų | 135 | 124.7 Ų | 124.7 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.3 | -44.4 | 170.4 | -75.5 | -175.8 | -179 | 103.3 | 9 | 112 | E761 M762 V768 Q769 | E761-R765 WeakPolarHBondContact O-CG 3.36Å; E761-R765 PolarHBondContact O-N 2.83Å; E761-R765 IonicContact OE1-CZ 3.25Å; E761-R765 IonicContact OE1-NH1 3.66Å; E761-R765 PolarHBondContact OE1-NH1 2.86Å; E761-R765 IonicContact OE1-NH2 2.67Å; E761-R765 PolarHBondContact OE1-NH2 3.03Å; E761-R765 IonicContact OE2-CZ 2.72Å; E761-R765 IonicContact OE2-NH1 2.68Å; E761-R765 PolarHBondContact OE2-NH1 3Å; E761-R765 IonicContact OE2-NH2 3.82Å; E761-R765 PolarHBondContact OE2-NH2 3.19Å; M762-R765 PolarHBondContact O-N 2.81Å; R765-V768 PolarHBondContact O-N 3.43Å; R765-Q769 WeakPolarHBondContact O-CB 3.46Å; R765-Q769 PolarHBondContact O-N 3.28Å |
| 766 | M | 73.8 | Confident | 65.7 | Low | 114 Ų | 114 | 124.2 Ų | 124.2 | 56% | 0.562 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.5 | -40.7 | 175.3 | -71.8 | -126.6 | -68.2 | 0 | 0 | 112.1 | M762 L763 Q769 R770 | M762-M766 WeakPolarHBondContact O-CB 3.43Å; M762-M766 WeakPolarHBondContact O-CG 3.4Å; M762-M766 PolarHBondContact O-N 2.85Å; L763-M766 PolarHBondContact O-N 2.82Å; M766-Q769 PolarHBondContact O-N 3.43Å; M766-R770 WeakPolarHBondContact O-CB 3.47Å; M766-R770 PolarHBondContact O-N 2.91Å |
| 767 | E | 78.1 | Confident | 65 | Low | 50 Ų | 50 | 120.7 Ų | 120.7 | 23% | 0.234 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -68.9 | -38.2 | 176.6 | 176.9 | 61.5 | -178.4 | 0 | 0 | 112 | L763 Q764 R770 R771 | L763-E767 VanDerWaalsContact O-CB 3.3Å; L763-E767 WeakPolarHBondContact O-CB 3.41Å; L763-E767 PolarHBondContact O-N 3.48Å; Q764-E767 PolarHBondContact O-N 3.24Å; E767-R770 VanDerWaalsContact CD-NH2 3.27Å; E767-R770 PolarHBondContact O-N 2.98Å; E767-R770 IonicContact OE1-CZ 3.48Å; E767-R770 IonicContact OE1-NH2 2.68Å; E767-R770 PolarHBondContact OE1-NH2 2.85Å; E767-R770 IonicContact OE2-CZ 2.63Å; E767-R770 IonicContact OE2-NE 3.56Å; E767-R770 PolarHBondContact OE2-NE 3.04Å; E767-R770 IonicContact OE2-NH2 3.45Å; E767-R770 PolarHBondContact OE2-NH2 3.34Å; E767-R771 WeakPolarHBondContact O-CB 3.47Å; E767-R771 VanDerWaalsContact O-CG 3.25Å; E767-R771 WeakPolarHBondContact O-CG 3.09Å; E767-R771 PolarHBondContact O-N 3.39Å; E767-R771 IonicContact OE1-CZ 2.85Å; E767-R771 IonicContact OE1-NE 3.2Å; E767-R771 PolarHBondContact OE1-NE 3.47Å; E767-R771 IonicContact OE1-NH2 2.69Å; E767-R771 PolarHBondContact OE1-NH2 3.07Å |
| 768 | V | 74.3 | Confident | 64.8 | Low | 61 Ų | 61 | 119.6 Ų | 119.6 | 37% | 0.37 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65 | -39.4 | 171.4 | 166.3 | 0 | 0 | 0 | 0 | 111 | Q764 R765 R771 R772 | Q764-V768 WeakPolarHBondContact O-CB 3.34Å; Q764-V768 VanDerWaalsContact O-CG2 3.25Å; Q764-V768 WeakPolarHBondContact O-CG2 3.32Å; Q764-V768 PolarHBondContact O-N 3.41Å; R765-V768 PolarHBondContact O-N 3.43Å; V768-R771 PolarHBondContact O-N 3.45Å; V768-R772 WeakPolarHBondContact O-CB 3.49Å; V768-R772 VanDerWaalsContact O-CG 3.27Å; V768-R772 WeakPolarHBondContact O-CG 3.45Å; V768-R772 PolarHBondContact O-N 2.86Å |
| 769 | Q | 74.3 | Confident | 63.8 | Low | 125 Ų | 125 | 126 Ų | 126 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.3 | -42.2 | 174.7 | -174.2 | 166.7 | -32.2 | 0 | 0 | 111.5 | R765 M766 R771 R772 M773 | R765-Q769 WeakPolarHBondContact O-CB 3.46Å; R765-Q769 PolarHBondContact O-N 3.28Å; M766-Q769 PolarHBondContact O-N 3.43Å; Q769-R771 PolarHBondContact O-N 3.44Å; Q769-R772 PolarHBondContact O-N 3.35Å; Q769-M773 WeakPolarHBondContact O-CG 3.32Å; Q769-M773 PolarHBondContact O-N 2.84Å |
| 770 | R | 70.4 | Confident | 62.2 | Low | 139 Ų | 139 | 124 Ų | 124 | 53% | 0.525 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.7 | -45.1 | 172.9 | -167.4 | -179.6 | 71.6 | 104.8 | 2 | 111.3 | M766 E767 M773 M774 | M766-R770 WeakPolarHBondContact O-CB 3.47Å; M766-R770 PolarHBondContact O-N 2.91Å; E767-R770 VanDerWaalsContact CD-NH2 3.27Å; E767-R770 PolarHBondContact O-N 2.98Å; E767-R770 IonicContact OE1-CZ 3.48Å; E767-R770 IonicContact OE1-NH2 2.68Å; E767-R770 PolarHBondContact OE1-NH2 2.85Å; E767-R770 IonicContact OE2-CZ 2.63Å; E767-R770 IonicContact OE2-NE 3.56Å; E767-R770 PolarHBondContact OE2-NE 3.04Å; E767-R770 IonicContact OE2-NH2 3.45Å; E767-R770 PolarHBondContact OE2-NH2 3.34Å; R770-M773 CarbonylContact O-C 3.57Å; R770-M773 PolarHBondContact O-N 3.4Å; R770-M774 WeakPolarHBondContact O-CB 3.26Å; R770-M774 WeakPolarHBondContact O-CG 3.19Å; R770-M774 PolarHBondContact O-N 3.17Å |
| 771 | R | 65 | Low | 60.9 | Low | 146 Ų | 146 | 124 Ų | 124 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.1 | -39.5 | 175.7 | -73.7 | 176 | -170.5 | -144.2 | 1 | 112.6 | E767 V768 Q769 M773 M774 Q775 | E767-R771 WeakPolarHBondContact O-CB 3.47Å; E767-R771 VanDerWaalsContact O-CG 3.25Å; E767-R771 WeakPolarHBondContact O-CG 3.09Å; E767-R771 PolarHBondContact O-N 3.39Å; E767-R771 IonicContact OE1-CZ 2.85Å; E767-R771 IonicContact OE1-NE 3.2Å; E767-R771 PolarHBondContact OE1-NE 3.47Å; E767-R771 IonicContact OE1-NH2 2.69Å; E767-R771 PolarHBondContact OE1-NH2 3.07Å; V768-R771 PolarHBondContact O-N 3.45Å; Q769-R771 PolarHBondContact O-N 3.44Å; R771-M773 VanDerWaalsContact C-N 3.31Å; R771-M773 PolarHBondContact O-N 3.05Å; R771-M774 CarbonylContact O-C 3.58Å; R771-M774 PolarHBondContact O-N 3.01Å; R771-Q775 WeakPolarHBondContact O-CG 3.43Å; R771-Q775 PolarHBondContact O-N 3.46Å |
| 772 | R | 65.9 | Low | 59.3 | Low | 188 Ų | 188 | 127.7 Ų | 127.7 | 71% | 0.709 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.1 | -31.5 | 173.6 | -73.3 | 174.5 | -167.9 | -160.9 | 5.5 | 113.1 | V768 Q769 M774 | V768-R772 WeakPolarHBondContact O-CB 3.49Å; V768-R772 VanDerWaalsContact O-CG 3.27Å; V768-R772 WeakPolarHBondContact O-CG 3.45Å; V768-R772 PolarHBondContact O-N 2.86Å; Q769-R772 PolarHBondContact O-N 3.35Å; R772-M774 VanDerWaalsContact C-N 3.31Å |
| 773 | M | 60.8 | Low | 57.5 | Low | 145 Ų | 145 | 134 Ų | 134 | 71% | 0.714 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.9 | -7.1 | 171.9 | -62.2 | -162.1 | -54.9 | 0 | 0 | 113.6 | Q769 R770 R771 | Q769-M773 WeakPolarHBondContact O-CG 3.32Å; Q769-M773 PolarHBondContact O-N 2.84Å; R770-M773 CarbonylContact O-C 3.57Å; R770-M773 PolarHBondContact O-N 3.4Å; R771-M773 VanDerWaalsContact C-N 3.31Å; R771-M773 PolarHBondContact O-N 3.05Å |
| 774 | M | 58.8 | Low | 56.2 | Low | 147 Ų | 147 | 134.7 Ų | 134.7 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 28.6 | 179.9 | -65.1 | -71.3 | -80 | 0 | 0 | 112.4 | R770 R771 R772 | R770-M774 WeakPolarHBondContact O-CB 3.26Å; R770-M774 WeakPolarHBondContact O-CG 3.19Å; R770-M774 PolarHBondContact O-N 3.17Å; R771-M774 CarbonylContact O-C 3.58Å; R771-M774 PolarHBondContact O-N 3.01Å; R772-M774 VanDerWaalsContact C-N 3.31Å |
| 775 | Q | 45.7 | Very low | 54.8 | Low | 126 Ų | 126 | 134.8 Ų | 134.8 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | | | trans | -134.9 | 110.6 | 174.7 | -79.3 | 178.7 | -5.2 | 0 | 0 | 108.9 | R771 | R771-Q775 WeakPolarHBondContact O-CG 3.43Å; R771-Q775 PolarHBondContact O-N 3.46Å |
| 776 | H | 41.7 | Very low | 53.4 | Low | 134 Ų | 134 | 134 Ų | 134 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | | | cis | -137 | 159.5 | -4.2 | -71.3 | -108.5 | 0 | 0 | 0 | 108.7 | T778 | H776-T778 PolarHBondContact ND1-OG1 3.45Š|
| 777 | P | 38.7 | Very low | 52 | Low | 134 Ų | 134 | 137 Ų | 137 | 87% | 0.87 | 67% | 0.67 | S | S | * | * | | | | -136.1 | 92.2 | 102.6 | 35.9 | -25.3 | 0 | 0 | 0 | 113 | R779 | P777-R779 PolarHBondContact O-N 2.84Š|
| 778 | T | 40 | Very low | 50.4 | Low | 116 Ų | 116 | 140.3 Ų | 140.3 | 71% | 0.712 | 70% | 0.696 | S | S | * | * | | | trans | -90.8 | 88.7 | 176.3 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | H776 | H776-T778 PolarHBondContact ND1-OG1 3.45Š|
| 779 | R | 41.4 | Very low | 48.9 | Very low | 248 Ų | 248 | 145.9 Ų | 145.9 | 94% | 0.936 | 72% | 0.718 | S | S | * | * | | | trans | -164 | 66.9 | 143.7 | -159.3 | 178.6 | -179.2 | 104.9 | -0.2 | 113.3 | P777 | P777-R779 PolarHBondContact O-N 2.84Š|
| 780 | A | 31.8 | Very low | 47.2 | Very low | 90 Ų | 90 | 149.5 Ų | 149.5 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | | | trans | -153.2 | 137.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 781 | H | 38.5 | Very low | 45.5 | Very low | 119 Ų | 119 | 151 Ų | 151 | 55% | 0.551 | 74% | 0.741 | S | S | * | * | | | trans | 70.4 | 130.3 | 160.5 | -88 | -112.6 | 0 | 0 | 0 | 122.4 | R1010 | H781-R1010 PolarHBondContact NE2-NH1 3.02Š|
| 782 | E | 37.6 | Very low | 44.2 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | | | trans | 56.4 | 104.8 | 145.2 | -74.8 | 145.7 | 176.1 | 0 | 0 | 121.6 | | |
| 783 | R | 36.4 | Very low | 43.1 | Very low | 236 Ų | 236 | 148.9 Ų | 148.9 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | | -73.5 | 141.6 | 117 | -78.5 | -175.4 | 167.6 | 110.3 | -5.1 | 108.7 | | |
| 784 | P | 51 | Low | 41.8 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 148.8 | 162.1 | 31.5 | -33.9 | 0 | 0 | 0 | 110.3 | | |
| 785 | P | 50.9 | Low | 40.7 | Very low | 113 Ų | 113 | 153.2 Ų | 153.2 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 149.2 | 169.4 | 31.9 | -34 | 0 | 0 | 0 | 111 | | |
| 786 | P | 46.7 | Very low | 40.1 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 153.9 | 166.8 | 30.5 | -34.4 | 0 | 0 | 0 | 110.7 | | |
| 787 | H | 43.1 | Very low | 39.7 | Very low | 178 Ų | 178 | 152.8 Ų | 152.8 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 129.7 | 172 | -97.8 | 31.8 | 0 | 0 | 0 | 110.8 | | |
| 788 | P | 46.1 | Very low | 39.4 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 130.3 | 170.2 | 30 | -32.4 | 0 | 0 | 0 | 110.1 | | |
| 789 | H | 41.8 | Very low | 39.3 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 136.5 | 171.9 | -81.8 | -111.6 | 0 | 0 | 0 | 110.7 | M791 | H789-M791 PolarHBondContact O-N 2.99Å; H789-M791 VanDerWaalsContact O-N 3.12Å |
| 790 | R | 38.2 | Very low | 38.9 | Very low | 201 Ų | 201 | 149.5 Ų | 149.5 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | | | trans | -76.7 | 93.9 | -178.9 | -178.6 | -172.1 | -178.9 | 136.1 | 0.9 | 111 | H792 | R790-H792 PolarHBondContact NE-NE2 3.26Å; R790-H792 PolarHBondContact NH2-NE2 2.87Å |
| 791 | M | 34.7 | Very low | 39.2 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 124.2 | 167.7 | -69.4 | -61 | -71.7 | 0 | 0 | 110.7 | H789 | H789-M791 PolarHBondContact O-N 2.99Å; H789-M791 VanDerWaalsContact O-N 3.12Å |
| 792 | H | 38.6 | Very low | 38.9 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 130.7 | 167.4 | -90 | -104.4 | 0 | 0 | 0 | 109.6 | R790 | R790-H792 PolarHBondContact NE-NE2 3.26Å; R790-H792 PolarHBondContact NH2-NE2 2.87Å |
| 793 | P | 43.1 | Very low | 38.8 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 119.6 | 158.4 | -1.8 | 20 | 0 | 0 | 0 | 108.5 | | |
| 794 | N | 33.1 | Very low | 39 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | | | trans | -146.5 | 75.4 | 174.7 | -167.8 | 38.7 | 0 | 0 | 0 | 111.9 | | |
| 795 | Y | 36.6 | Very low | 38.3 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 95% | 0.945 | 79% | 0.787 | S | S | * | * | | | trans | -141.7 | 129.3 | 161.5 | -97 | -77.8 | 0 | 0 | 0 | 109.7 | | |
| 796 | G | 32.8 | Very low | 37.6 | Very low | 50 Ų | 50 | 151.8 Ų | 151.8 | 52% | 0.515 | 79% | 0.791 | S | S | . | * | | | trans | -113.9 | -174.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 797 | H | 33 | Very low | 36.8 | Very low | 200 Ų | 200 | 154 Ų | 154 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | | | trans | 70.4 | 123.2 | -166 | -41.4 | 86.9 | 0 | 0 | 0 | 112.1 | | |
| 798 | G | 32.8 | Very low | 36.3 | Very low | 67 Ų | 67 | 150.3 Ų | 150.3 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | cis | 113.1 | 104.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 799 | H | 36.8 | Very low | 35.6 | Very low | 198 Ų | 198 | 149.8 Ų | 149.8 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -133.7 | 138.8 | 167.9 | -85.7 | -76.9 | 0 | 0 | 0 | 111.4 | | |
| 800 | H | 34.3 | Very low | 35.3 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -66.2 | 136.3 | 176.3 | -105 | -126.9 | 0 | 0 | 0 | 112.4 | | |
| 801 | I | 36.9 | Very low | 35.1 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | | | trans | -132.1 | 150.5 | 133.7 | -57.9 | -175.2 | 0 | 0 | 0 | 107 | | |
| 802 | H | 32.9 | Very low | 34.9 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | | | trans | -132.4 | 126.1 | -149.5 | -175.5 | -91.6 | 0 | 0 | 0 | 112.5 | | |
| 803 | V | 33.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 150 Ų | 150 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -133.2 | 130.3 | 170 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 804 | P | 42.1 | Very low | 34 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | -86 | 157.8 | -155.3 | 32.8 | -37.6 | 0 | 0 | 0 | 115.9 | | |
| 805 | Q | 35.6 | Very low | 33.9 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -81.6 | 149.9 | 170.4 | -60.9 | 173.1 | -15.3 | 0 | 0 | 112 | | |
| 806 | T | 36.1 | Very low | 33.7 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -140.3 | 122.2 | 148.2 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 807 | M | 30.7 | Very low | 33.5 | Very low | 164 Ų | 164 | 158.3 Ų | 158.3 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | | | trans | 31.2 | 146 | 142 | -58.2 | -60.8 | 97.3 | 0 | 0 | 120.6 | | |
| 808 | S | 33 | Very low | 33.7 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | cis | -179.2 | 177.7 | -10.5 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 809 | S | 31 | Very low | 33.4 | Very low | 108 Ų | 108 | 156.3 Ų | 156.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | 78.6 | 135.5 | 161.3 | 75.7 | 0 | 0 | 0 | 0 | 120 | | |
| 810 | H | 34.2 | Very low | 33.1 | Very low | 186 Ų | 186 | 158.5 Ų | 158.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -72.4 | 157 | 158.4 | -83.6 | -62.6 | 0 | 0 | 0 | 110.4 | | |
| 811 | P | 34.2 | Very low | 32.9 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | | -124.1 | -179.2 | 115.1 | 36.2 | -33 | 0 | 0 | 0 | 113.7 | | |
| 812 | R | 30.3 | Very low | 32.6 | Very low | 236 Ų | 236 | 158.6 Ų | 158.6 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | trans | -93.1 | 164 | -178.9 | -69.4 | 174.4 | 169.4 | 175.3 | -4.3 | 112.6 | | |
| 813 | Q | 30 | Very low | 32.6 | Very low | 168 Ų | 168 | 154.4 Ų | 154.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 17.2 | 142.3 | 143.4 | -59.9 | -66 | -1.3 | 0 | 0 | 120.7 | | |
| 814 | P | 33.4 | Very low | 32.6 | Very low | 118 Ų | 118 | 156.2 Ų | 156.2 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | trans | -77.8 | 145.9 | 168.9 | 34.5 | -33.9 | 0 | 0 | 0 | 112.2 | | |
| 815 | E | 31.2 | Very low | 32.2 | Very low | 183 Ų | 183 | 160 Ų | 160 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | trans | -120.4 | 127.1 | 170.6 | -68.5 | -176.7 | 144.3 | 0 | 0 | 110.4 | | |
| 816 | Q | 31.6 | Very low | 32.2 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | | 168.1 | 111.1 | 122 | -91.2 | -174.7 | 20.7 | 0 | 0 | 111.7 | | |
| 817 | R | 29.5 | Very low | 32 | Very low | 249 Ų | 249 | 154 Ų | 154 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | | | | -145 | 136.5 | 129.4 | -151 | 171.4 | -170.9 | 177.9 | 2.9 | 108.8 | | |
| 818 | T | 37.3 | Very low | 32 | Very low | 112 Ų | 112 | 152.9 Ų | 152.9 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | | | trans | -80.3 | 163.9 | -166.6 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 819 | T | 27.3 | Very low | 32.6 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | | | | 173 | 106.2 | 103.2 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 820 | W | 29.8 | Very low | 32.6 | Very low | 244 Ų | 244 | 154.7 Ų | 154.7 | 92% | 0.924 | 82% | 0.817 | S | S | * | * | | | trans | 47.8 | 107.1 | 155.7 | -59.3 | 117 | 0 | 0 | 0 | 122.3 | | |
| 821 | E | 30 | Very low | 32.6 | Very low | 164 Ų | 164 | 150 Ų | 150 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | trans | -78.9 | 144.5 | 154.3 | 164.9 | -174.5 | -145.3 | 0 | 0 | 111.8 | | |
| 822 | L | 31.3 | Very low | 32.5 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | | | trans | -151.1 | 124.5 | 145.9 | -72.6 | -178.4 | 0 | 0 | 0 | 106.8 | | |
| 823 | G | 31.8 | Very low | 32.5 | Very low | 49 Ų | 49 | 148 Ų | 148 | 51% | 0.505 | 80% | 0.804 | S | S | . | * | | | cis | 112.1 | 90.3 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 824 | I | 33.7 | Very low | 32.7 | Very low | 177 Ų | 177 | 146 Ų | 146 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | | | trans | -156.2 | 156.4 | 166 | -97.2 | 141 | 0 | 0 | 0 | 109.3 | | |
| 825 | E | 33.8 | Very low | 32.7 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -66.2 | 170 | -156.7 | -56 | -179.7 | 105.8 | 0 | 0 | 118.7 | | |
| 826 | A | 36.3 | Very low | 32.6 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | -93.2 | 123 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 827 | G | 32.4 | Very low | 32.8 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | -155.9 | 110.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 828 | V | 30.8 | Very low | 32.9 | Very low | 141 Ų | 141 | 134 Ų | 134 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -59.1 | 147.8 | 165.6 | 164.8 | 0 | 0 | 0 | 0 | 110 | | |
| 829 | P | 44 | Very low | 32.6 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | cis | -140.9 | -161.9 | 25.9 | 25.4 | 2.5 | 0 | 0 | 0 | 116.3 | | |
| 830 | V | 32.1 | Very low | 33 | Very low | 137 Ų | 137 | 130 Ų | 130 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | trans | 83.3 | 128.7 | 157.2 | -169.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 831 | A | 34.6 | Very low | 33.3 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | -106.4 | 145.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 832 | S | 31.6 | Very low | 34 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | trans | -165 | 132.1 | 150.3 | -83.4 | 0 | 0 | 0 | 0 | 112 | | |
| 833 | Y | 30.1 | Very low | 34.5 | Very low | 212 Ų | 212 | 118.9 Ų | 118.9 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | | | trans | 10.3 | 133.2 | 144.9 | -60.4 | -93.2 | 0 | 0 | 0 | 118.6 | | |
| 834 | T | 34 | Very low | 35 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | | | cis | -163.4 | 179.3 | -4.6 | 2.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 835 | S | 33.4 | Very low | 35.1 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | | | cis | -140.1 | -161.3 | 24.6 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 836 | G | 30.2 | Very low | 35.2 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | | | cis | 91.8 | 130.7 | 5.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 837 | H | 35.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 67% | 0.667 | 72% | 0.721 | S | S | * | * | | | cis | -153 | 127.2 | -5.6 | 170.8 | 99.2 | 0 | 0 | 0 | 112.1 | H839 | H837-H839 AromaticContact CE1-CG 4Å; H837-H839 AromaticContact CE1-ND1 3.69Å |
| 838 | L | 31 | Very low | 35.7 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | | | trans | -146.9 | 159.9 | 148.3 | -81 | -174.8 | 0 | 0 | 0 | 108.2 | | |
| 839 | H | 31.6 | Very low | 36 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 52% | 0.519 | 72% | 0.716 | S | S | . | * | | | trans | -108.7 | -146.2 | -142.8 | -151 | 34.2 | 0 | 0 | 0 | 118.5 | Q629 P630 H837 | Q629-H839 CarbonylContact O-C 3.17Å; Q629-H839 VanDerWaalsContact O-O 3.07Å; P630-H839 HydrophobicContact CB-CB 4.28Å; H837-H839 AromaticContact CE1-CG 4Å; H837-H839 AromaticContact CE1-ND1 3.69Å |
| 840 | S | 35.4 | Very low | 35.8 | Very low | 30 Ų | 30 | 133.4 Ų | 133.4 | 21% | 0.21 | 72% | 0.722 | C | S | . | * | | | trans | -120.9 | -43.7 | -133.9 | 53.9 | 0 | 0 | 0 | 0 | 124.8 | Q629 A631 | Q629-S840 WeakPolarHBondContact CG-O 3.47Å; Q629-S840 CarbonylContact O-C 3.11Å; Q629-S840 VanDerWaalsContact O-CA 3.28Å; Q629-S840 WeakPolarHBondContact O-CA 3.42Å; Q629-S840 PolarHBondContact O-N 2.89Å; A631-S840 VanDerWaalsContact CB-OG 3.24Å; A631-S840 WeakPolarHBondContact CB-OG 3.18Å |
| 841 | H | 35 | Very low | 36.1 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 60% | 0.602 | 73% | 0.726 | S | S | * | * | | | trans | -129.6 | 172.5 | -162.9 | -55 | -68.9 | 0 | 0 | 0 | 118.7 | Q629 P630 | Q629-H841 CarbonylContact C-O 3.39Å; Q629-H841 VanDerWaalsContact C-O 3.29Å; Q629-H841 PolarHBondContact O-N 2.86Å; P630-H841 CarbonylContact C-O 3.58Å; P630-H841 VanDerWaalsContact C-O 3.23Å; P630-H841 WeakPolarHBondContact CA-O 2.91Å; P630-H841 VanDerWaalsContact N-O 3.09Å |
| 842 | L | 46.3 | Very low | 36.3 | Very low | 103 Ų | 103 | 138 Ų | 138 | 54% | 0.539 | 72% | 0.724 | S | S | . | * | | | trans | -79.6 | 175.4 | 178.7 | -87.4 | 131.3 | 0 | 0 | 0 | 114.2 | | |
| 843 | P | 41.6 | Very low | 36.5 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | | | | -141.4 | -179.3 | 101.5 | 39.9 | -26.8 | 0 | 0 | 0 | 116.5 | | |
| 844 | H | 41.5 | Very low | 36.6 | Very low | 162 Ų | 162 | 141 Ų | 141 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | | | trans | -85.4 | 168 | -167.7 | -46.5 | -83.5 | 0 | 0 | 0 | 115.9 | | |
| 845 | Y | 36.8 | Very low | 36.7 | Very low | 239 Ų | 239 | 140.5 Ų | 140.5 | 94% | 0.937 | 73% | 0.73 | S | S | * | * | | | trans | -136.9 | 149.5 | 156.6 | -107.2 | -87.7 | 0 | 0 | 0 | 112.6 | | |
| 846 | H | 35.3 | Very low | 36.7 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | | | trans | -105.9 | 170.6 | -174.7 | -110.1 | -92.9 | 0 | 0 | 0 | 113.6 | | |
| 847 | T | 37.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.9 | 178.5 | 47.9 | 0 | 0 | 0 | 0 | 115 | | |
| 848 | P | 40.3 | Very low | 36.5 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 151.8 | 179.8 | 31.9 | -36.2 | 0 | 0 | 0 | 113.8 | | |
| 849 | P | 38.6 | Very low | 36.5 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 158.8 | -177 | 35.1 | -36.3 | 0 | 0 | 0 | 114.4 | | |
| 850 | R | 39.2 | Very low | 36.6 | Very low | 221 Ų | 221 | 144.7 Ų | 144.7 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 128.9 | 168.2 | -60.5 | 168.2 | 76.5 | -178.9 | 6 | 109.5 | | |
| 851 | L | 38.6 | Very low | 36.4 | Very low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 130.4 | 169 | -70.1 | 175.3 | 0 | 0 | 0 | 110.5 | | |
| 852 | H | 38.5 | Very low | 36.3 | Very low | 148 Ų | 148 | 149.6 Ų | 149.6 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 160.2 | 176.2 | -85.8 | -113 | 0 | 0 | 0 | 111.5 | | |
| 853 | H | 36.6 | Very low | 35.6 | Very low | 189 Ų | 189 | 148.1 Ų | 148.1 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 144.2 | 167.4 | -80.1 | -90.3 | 0 | 0 | 0 | 112.3 | | |
| 854 | F | 30.9 | Very low | 35.1 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | | | trans | -126.7 | 151.7 | 153.8 | -88.8 | -89 | 0 | 0 | 0 | 110.1 | | |
| 855 | P | 36.8 | Very low | 34.6 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | -93.4 | 162.2 | -165.8 | 37.2 | -35.7 | 0 | 0 | 0 | 113.4 | | |
| 856 | I | 32.8 | Very low | 34.4 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 86% | 0.862 | 78% | 0.775 | S | S | * | * | | | trans | -128.8 | 127 | 167 | -58.9 | -179.7 | 0 | 0 | 0 | 109.8 | | |
| 857 | S | 26.9 | Very low | 34.5 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -166.7 | 146.5 | 170.5 | -81.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 858 | L | 36 | Very low | 34.3 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | cis | -156.8 | -164.2 | 4.4 | -127.4 | 168.2 | 0 | 0 | 0 | 109 | | |
| 859 | M | 31 | Very low | 33.7 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | 78.6 | 147 | 175.8 | -49.9 | -68.9 | 97.5 | 0 | 0 | 116.1 | | |
| 860 | H | 32.4 | Very low | 33.9 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 65% | 0.648 | 78% | 0.775 | S | S | * | * | | | cis | -175.9 | 137.7 | -44.5 | -117.7 | -141.1 | 0 | 0 | 0 | 106.8 | | |
| 861 | T | 32.6 | Very low | 33.8 | Very low | 119 Ų | 119 | 144 Ų | 144 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | | | trans | 37.1 | 125.3 | 154.1 | 58.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 862 | T | 32.3 | Very low | 33.7 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | cis | -163.4 | 158.5 | 49.5 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 863 | G | 30.3 | Very low | 33.8 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | 140.7 | 118.2 | 157 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 864 | I | 32.2 | Very low | 34 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | trans | -20.7 | 154.2 | 147.2 | 51.9 | 171.7 | 0 | 0 | 0 | 118.2 | | |
| 865 | S | 30 | Very low | 34.4 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | cis | -151.7 | -177.8 | -7.3 | -152.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 866 | E | 34.3 | Very low | 34.4 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | | | trans | -20.9 | 127.5 | 170.3 | -57.2 | 140.4 | 107.2 | 0 | 0 | 119.4 | | |
| 867 | V | 37.5 | Very low | 34.8 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | | | | -139.9 | 131.7 | 117.1 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 868 | T | 33.3 | Very low | 35.4 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -91 | 124.4 | -179.3 | -66.3 | 0 | 0 | 0 | 0 | 112 | | |
| 869 | Y | 28.1 | Very low | 35.2 | Very low | 224 Ų | 224 | 150.5 Ų | 150.5 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 123.3 | 164.8 | -143.8 | -81.6 | 0 | 0 | 0 | 109.7 | | |
| 870 | P | 42.3 | Very low | 35.9 | Very low | 88 Ų | 88 | 150.5 Ų | 150.5 | 57% | 0.571 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 158.1 | -167.3 | 35.7 | -36.6 | 0 | 0 | 0 | 115.1 | | |
| 871 | H | 36.4 | Very low | 36.5 | Very low | 173 Ų | 173 | 147 Ų | 147 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | | | trans | 68.9 | 70.6 | 163 | -72.1 | -71.4 | 0 | 0 | 0 | 120.7 | | |
| 872 | I | 36.3 | Very low | 36.8 | Very low | 166 Ų | 166 | 150 Ų | 150 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | | -125.1 | 94.9 | 128.1 | -55.2 | -179 | 0 | 0 | 0 | 108.8 | | |
| 873 | R | 42 | Very low | 37.6 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -142.6 | 57.3 | -177 | -87 | -69 | -174 | 160.5 | -0 | 113.1 | | |
| 874 | Y | 39.8 | Very low | 38.3 | Very low | 217 Ų | 217 | 151.3 Ų | 151.3 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -157.2 | 124.3 | 164.8 | -122.3 | -109.2 | 0 | 0 | 0 | 104.8 | | |
| 875 | I | 38.6 | Very low | 40.1 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | S | Bend | cis | -136.5 | 99.4 | 7.3 | -57.5 | 163.7 | 0 | 0 | 0 | 109 | | |
| 876 | S | 38.3 | Very low | 41.2 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -152.2 | 73.8 | 173.8 | -90.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 877 | S | 40.2 | Very low | 42.6 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | trans | -158.7 | 65.6 | 174 | -69.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 878 | R | 39.4 | Very low | 44 | Very low | 239 Ų | 239 | 144 Ų | 144 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -176.7 | 47.5 | 153.8 | 54.6 | 179.8 | 177.5 | -140.2 | 0.5 | 113 | | |
| 879 | M | 32.9 | Very low | 45.6 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 84% | 0.837 | 72% | 0.721 | S | S | * | * | | | trans | -144.1 | 55.9 | 171.3 | -156.9 | 69.4 | 73.2 | 0 | 0 | 110.1 | G881 | M879-G881 PolarHBondContact O-N 2.79Š|
| 880 | T | 44.2 | Very low | 47.2 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | | | trans | -70.7 | 118.1 | 170.8 | 44 | 0 | 0 | 0 | 0 | 109.1 | | |
| 881 | G | 45.2 | Very low | 48.2 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 107.6 | 54.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | M879 | M879-G881 PolarHBondContact O-N 2.79Š|
| 882 | F | 39.2 | Very low | 49.2 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 79% | 0.789 | 67% | 0.665 | S | S | * | * | | | trans | -147.1 | 120.1 | 141.9 | -99.4 | -72.7 | 0 | 0 | 0 | 108.9 | R884 | F882-R884 PolarHBondContact O-N 2.79Å; F882-R884 VanDerWaalsContact O-N 3.1Å |
| 883 | G | 48.2 | Very low | 50.2 | Low | 86 Ų | 86 | 128.3 Ų | 128.3 | 89% | 0.887 | 65% | 0.652 | S | S | * | * | | | trans | -74 | 97.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 884 | R | 46.5 | Very low | 50.7 | Low | 158 Ų | 158 | 125.3 Ų | 125.3 | 60% | 0.596 | 65% | 0.647 | S | S | * | * | | | trans | -87.1 | 127.2 | 167.3 | -65.2 | -165.3 | 179.7 | -76.7 | -5.3 | 108.4 | F882 D888 | F882-R884 PolarHBondContact O-N 2.79Å; F882-R884 VanDerWaalsContact O-N 3.1Å; R884-D888 HydrophobicContact CB-CB 4.07Å; R884-D888 WeakPolarHBondContact CB-OD2 3.5Å; R884-D888 WeakPolarHBondContact CD-OD2 3.5Å; R884-D888 WeakPolarHBondContact CG-OD2 3.4Å; R884-D888 IonicContact CZ-OD2 3.46Å; R884-D888 IonicContact NE-OD2 3.94Å; R884-D888 IonicContact NH1-OD2 3.83Å; R884-D888 PolarHBondContact NH1-OD2 3.3Å |
| 885 | T | 69.8 | Low | 51.4 | Low | 88 Ų | 88 | 124.1 Ų | 124.1 | 54% | 0.54 | 64% | 0.641 | S | S | . | * | | | trans | -69.4 | 164.5 | 176.4 | 51.7 | 0 | 0 | 0 | 0 | 110.4 | E887 D888 L889 | T885-E887 PolarHBondContact O-N 3.38Å; T885-D888 WeakPolarHBondContact O-CB 3.26Å; T885-D888 PolarHBondContact O-N 3.34Å; T885-D888 WeakPolarHBondContact OG1-CB 3.3Å; T885-D888 PolarHBondContact OG1-N 3.16Å; T885-D888 VanDerWaalsContact OG1-N 3.16Å; T885-L889 PolarHBondContact O-N 2.82Å; T885-L889 VanDerWaalsContact O-N 3.15Å |
| 886 | Y | 52.6 | Low | 52.1 | Low | 174 Ų | 174 | 121.8 Ų | 121.8 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -58.7 | -35.7 | 170.5 | -178.7 | -114.9 | 0 | 0 | 0 | 111.3 | L889 L890 | Y886-L889 CarbonylContact O-C 3.29Å; Y886-L889 WeakPolarHBondContact O-CA 3.43Å; Y886-L889 WeakPolarHBondContact O-CB 3.32Å; Y886-L889 PolarHBondContact O-N 2.88Å; Y886-L890 HydrophobicContact CD1-CD1 3.87Å; Y886-L890 HydrophobicContact CD1-CG 4.49Å; Y886-L890 HydrophobicContact CE1-CD1 3.54Å; Y886-L890 HydrophobicContact CE1-CG 4.17Å; Y886-L890 PolarHBondContact O-N 3.27Å |
| 887 | E | 63.1 | Low | 52.5 | Low | 106 Ų | 106 | 118 Ų | 118 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -56.8 | -46 | 168.4 | -67.5 | -57.9 | 133.9 | 0 | 0 | 113.1 | T885 L889 L890 H891 | T885-E887 PolarHBondContact O-N 3.38Å; E887-L889 PolarHBondContact O-N 3.29Å; E887-L890 PolarHBondContact O-N 3.27Å; E887-L890 VanDerWaalsContact O-N 3.15Å; E887-H891 PolarHBondContact O-N 3.18Å; E887-H891 PolarHBondContact O-ND1 2.97Å; E887-H891 IonicContact OE2-CE1 2.79Å; E887-H891 PolarHBondContact OE2-CE1 3.37Å; E887-H891 IonicContact OE2-ND1 2.79Å |
| 888 | D | 67.3 | Low | 53.1 | Low | 58 Ų | 58 | 119.1 Ų | 119.1 | 31% | 0.31 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.9 | -26.9 | 179.2 | -153.1 | 55.4 | 0 | 0 | 0 | 111.5 | R884 T885 L892 | R884-D888 HydrophobicContact CB-CB 4.07Å; R884-D888 WeakPolarHBondContact CB-OD2 3.5Å; R884-D888 WeakPolarHBondContact CD-OD2 3.5Å; R884-D888 WeakPolarHBondContact CG-OD2 3.4Å; R884-D888 IonicContact CZ-OD2 3.46Å; R884-D888 IonicContact NE-OD2 3.94Å; R884-D888 IonicContact NH1-OD2 3.83Å; R884-D888 PolarHBondContact NH1-OD2 3.3Å; T885-D888 WeakPolarHBondContact O-CB 3.26Å; T885-D888 PolarHBondContact O-N 3.34Å; T885-D888 WeakPolarHBondContact OG1-CB 3.3Å; T885-D888 PolarHBondContact OG1-N 3.16Å; T885-D888 VanDerWaalsContact OG1-N 3.16Å; D888-L892 VanDerWaalsContact O-CB 3.31Å; D888-L892 WeakPolarHBondContact O-CB 3.39Å; D888-L892 WeakPolarHBondContact O-CD1 3.42Å; D888-L892 WeakPolarHBondContact O-CG 3.49Å; D888-L892 PolarHBondContact O-N 2.93Å; D888-L892 VanDerWaalsContact O-N 3.15Å |
| 889 | L | 66.8 | Low | 53.7 | Low | 105 Ų | 105 | 111.4 Ų | 111.4 | 55% | 0.55 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.1 | -40 | 170.9 | -95.9 | 158.8 | 0 | 0 | 0 | 113.1 | T885 Y886 E887 L892 E893 | T885-L889 PolarHBondContact O-N 2.82Å; T885-L889 VanDerWaalsContact O-N 3.15Å; Y886-L889 CarbonylContact O-C 3.29Å; Y886-L889 WeakPolarHBondContact O-CA 3.43Å; Y886-L889 WeakPolarHBondContact O-CB 3.32Å; Y886-L889 PolarHBondContact O-N 2.88Å; E887-L889 PolarHBondContact O-N 3.29Å; L889-L892 CarbonylContact O-C 3.48Å; L889-L892 WeakPolarHBondContact O-CB 3.49Å; L889-L892 PolarHBondContact O-N 3.46Å; L889-E893 PolarHBondContact O-N 3.04Å |
| 890 | L | 61.4 | Low | 55 | Low | 65 Ų | 65 | 108 Ų | 108 | 34% | 0.34 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67 | -45.7 | 174.2 | -79.9 | 171 | 0 | 0 | 0 | 111.8 | Y886 E887 L892 E893 E894 | Y886-L890 HydrophobicContact CD1-CD1 3.87Å; Y886-L890 HydrophobicContact CD1-CG 4.49Å; Y886-L890 HydrophobicContact CE1-CD1 3.54Å; Y886-L890 HydrophobicContact CE1-CG 4.17Å; Y886-L890 PolarHBondContact O-N 3.27Å; E887-L890 PolarHBondContact O-N 3.27Å; E887-L890 VanDerWaalsContact O-N 3.15Å; L890-L892 PolarHBondContact O-N 2.82Å; L890-E893 CarbonylContact O-C 3.23Å; L890-E893 WeakPolarHBondContact O-CA 3.19Å; L890-E893 PolarHBondContact O-N 3.3Å; L890-E894 WeakPolarHBondContact O-CB 3.24Å; L890-E894 PolarHBondContact O-N 3.08Å |
| 891 | H | 63.1 | Low | 56.5 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 44% | 0.435 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.4 | -25.9 | 172.7 | -66.6 | 94.9 | 0 | 0 | 0 | 111.7 | E887 E894 R895 | E887-H891 PolarHBondContact O-N 3.18Å; E887-H891 PolarHBondContact O-ND1 2.97Å; E887-H891 IonicContact OE2-CE1 2.79Å; E887-H891 PolarHBondContact OE2-CE1 3.37Å; E887-H891 IonicContact OE2-ND1 2.79Å; H891-E894 IonicContact CD2-OE2 3.47Å; H891-R895 WeakPolarHBondContact O-CB 3.37Å; H891-R895 VanDerWaalsContact O-CD 3.24Å; H891-R895 WeakPolarHBondContact O-CD 3.09Å; H891-R895 WeakPolarHBondContact O-CG 3.29Å; H891-R895 PolarHBondContact O-N 3.04Å |
| 892 | L | 57.5 | Low | 58.5 | Low | 56 Ų | 56 | 107.7 Ų | 107.7 | 29% | 0.293 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.5 | -43.2 | 166.3 | -95.2 | 163.3 | 0 | 0 | 0 | 111.9 | D888 L889 L890 E894 L896 | D888-L892 VanDerWaalsContact O-CB 3.31Å; D888-L892 WeakPolarHBondContact O-CB 3.39Å; D888-L892 WeakPolarHBondContact O-CD1 3.42Å; D888-L892 WeakPolarHBondContact O-CG 3.49Å; D888-L892 PolarHBondContact O-N 2.93Å; D888-L892 VanDerWaalsContact O-N 3.15Å; L889-L892 CarbonylContact O-C 3.48Å; L889-L892 WeakPolarHBondContact O-CB 3.49Å; L889-L892 PolarHBondContact O-N 3.46Å; L890-L892 PolarHBondContact O-N 2.82Å; L892-E894 VanDerWaalsContact C-N 3.28Å; L892-E894 PolarHBondContact O-N 3.2Å; L892-L896 HydrophobicContact CD2-CD1 3.95Å; L892-L896 HydrophobicContact CD2-CG 4.38Å; L892-L896 WeakPolarHBondContact O-CA 3.5Å; L892-L896 WeakPolarHBondContact O-CB 3.42Å; L892-L896 WeakPolarHBondContact O-CD1 3.39Å; L892-L896 WeakPolarHBondContact O-CG 3.11Å; L892-L896 PolarHBondContact O-N 3.21Å |
| 893 | E | 59.1 | Low | 60.9 | Low | 122 Ų | 122 | 99.3 Ų | 99.3 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.5 | -24.9 | 175.4 | -174.8 | 160.5 | -161.5 | 0 | 0 | 112.9 | L889 L890 L896 G897 | L889-E893 PolarHBondContact O-N 3.04Å; L890-E893 CarbonylContact O-C 3.23Å; L890-E893 WeakPolarHBondContact O-CA 3.19Å; L890-E893 PolarHBondContact O-N 3.3Å; E893-L896 CarbonylContact O-C 3.57Å; E893-G897 WeakPolarHBondContact O-CA 3.44Å; E893-G897 PolarHBondContact O-N 2.95Å |
| 894 | E | 52.3 | Low | 63 | Low | 138 Ų | 138 | 98.4 Ų | 98.4 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -77.7 | -50 | 172.2 | -173 | 179.9 | -148.6 | 0 | 0 | 111.2 | L890 H891 L892 L896 G897 | L890-E894 WeakPolarHBondContact O-CB 3.24Å; L890-E894 PolarHBondContact O-N 3.08Å; H891-E894 IonicContact CD2-OE2 3.47Å; L892-E894 VanDerWaalsContact C-N 3.28Å; L892-E894 PolarHBondContact O-N 3.2Å; E894-L896 PolarHBondContact O-N 2.9Å; E894-G897 PolarHBondContact O-N 2.84Å |
| 895 | R | 53.4 | Low | 65.1 | Low | 192 Ų | 192 | 94.4 Ų | 94.4 | 73% | 0.725 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.9 | -27.4 | 172.8 | -75.3 | 160.9 | 38 | 81.3 | 3.1 | 112.9 | H891 | H891-R895 WeakPolarHBondContact O-CB 3.37Å; H891-R895 VanDerWaalsContact O-CD 3.24Å; H891-R895 WeakPolarHBondContact O-CD 3.09Å; H891-R895 WeakPolarHBondContact O-CG 3.29Å; H891-R895 PolarHBondContact O-N 3.04Å |
| 896 | L | 53.9 | Low | 66.2 | Low | 96 Ų | 96 | 91.8 Ų | 91.8 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 4.3 | 172.3 | -57.8 | 168.7 | 0 | 0 | 0 | 112.1 | L892 E893 E894 T898 V899 | L892-L896 HydrophobicContact CD2-CD1 3.95Å; L892-L896 HydrophobicContact CD2-CG 4.38Å; L892-L896 WeakPolarHBondContact O-CA 3.5Å; L892-L896 WeakPolarHBondContact O-CB 3.42Å; L892-L896 WeakPolarHBondContact O-CD1 3.39Å; L892-L896 WeakPolarHBondContact O-CG 3.11Å; L892-L896 PolarHBondContact O-N 3.21Å; E893-L896 CarbonylContact O-C 3.57Å; E894-L896 PolarHBondContact O-N 2.9Å; L896-T898 PolarHBondContact O-N 2.81Å; L896-T898 VanDerWaalsContact O-N 3.09Å; L896-V899 HydrophobicContact CB-CB 4.46Å; L896-V899 HydrophobicContact CB-CG2 3.84Å; L896-V899 HydrophobicContact CD2-CG2 3.72Å; L896-V899 HydrophobicContact CG-CG2 4.4Å; L896-V899 WeakPolarHBondContact O-CB 3.27Å; L896-V899 WeakPolarHBondContact O-CG2 3.2Å; L896-V899 PolarHBondContact O-N 2.9Å |
| 897 | G | 46.7 | Very low | 68.1 | Low | 37 Ų | 37 | 84 Ų | 84 | 38% | 0.381 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -16.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E893 E894 | E893-G897 WeakPolarHBondContact O-CA 3.44Å; E893-G897 PolarHBondContact O-N 2.95Å; E894-G897 PolarHBondContact O-N 2.84Å |
| 898 | T | 51.5 | Low | 69.5 | Low | 123 Ų | 123 | 78.9 Ų | 78.9 | 76% | 0.755 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 6.1 | 173.3 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | L896 N900 | L896-T898 PolarHBondContact O-N 2.81Å; L896-T898 VanDerWaalsContact O-N 3.09Å; T898-N900 PolarHBondContact O-N 3.23Å |
| 899 | V | 52.5 | Low | 70.7 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 47% | 0.467 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -76.6 | 98 | -178.9 | 175 | 0 | 0 | 0 | 0 | 110.6 | L896 R901 | L896-V899 HydrophobicContact CB-CB 4.46Å; L896-V899 HydrophobicContact CB-CG2 3.84Å; L896-V899 HydrophobicContact CD2-CG2 3.72Å; L896-V899 HydrophobicContact CG-CG2 4.4Å; L896-V899 WeakPolarHBondContact O-CB 3.27Å; L896-V899 WeakPolarHBondContact O-CG2 3.2Å; L896-V899 PolarHBondContact O-N 2.9Å; V899-R901 PolarHBondContact O-N 3.38Å |
| 900 | N | 60.1 | Low | 72 | Confident | 98 Ų | 98 | 85 Ų | 85 | 52% | 0.524 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 53.8 | 29.5 | 152.6 | -52.2 | -28.9 | 0 | 0 | 0 | 115.7 | T898 G902 T1002 | T898-N900 PolarHBondContact O-N 3.23Å; N900-G902 VanDerWaalsContact C-N 3.33Å; N900-G902 PolarHBondContact O-N 3.19Å; N900-T1002 CarbonylContact C-O 3.57Å; N900-T1002 WeakPolarHBondContact CA-O 3.26Å; N900-T1002 WeakPolarHBondContact CB-O 3.01Å; N900-T1002 VanDerWaalsContact O-O 3.08Å |
| 901 | R | 75.4 | Confident | 73.4 | Confident | 185 Ų | 185 | 82.1 Ų | 82.1 | 70% | 0.698 | 42% | 0.415 | S | S | * | . | | | trans | -71.9 | 98.4 | 149.8 | -71.4 | -177.4 | 179 | 135.8 | 1.5 | 105.9 | V899 | V899-R901 PolarHBondContact O-N 3.38Š|
| 902 | G | 87.4 | Confident | 74.8 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 24% | 0.237 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -63 | 169 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N900 L1000 | N900-G902 VanDerWaalsContact C-N 3.33Å; N900-G902 PolarHBondContact O-N 3.19Å; G902-L1000 CarbonylContact C-O 3.37Å; G902-L1000 WeakPolarHBondContact CA-O 3.44Å |
| 903 | A | 90.2 | Very high | 76.5 | Confident | 5 Ų | 5 | 81.5 Ų | 81.5 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 140.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | T907 I908 L1000 K1004 I1013 | A903-T907 HydrophobicContact CB-CG2 3.84Å; A903-I908 HydrophobicContact CB-CD1 4.32Å; A903-I908 HydrophobicContact CB-CG1 3.64Å; A903-L1000 PolarHBondContact N-O 2.63Å; A903-K1004 HydrophobicContact CB-CB 3.86Å; A903-I1013 HydrophobicContact CB-CD1 3.69Å |
| 904 | S | 91.8 | Very high | 78.1 | Confident | 67 Ų | 67 | 79 Ų | 79 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 155.6 | 169 | 78.4 | 0 | 0 | 0 | 0 | 110.2 | G906 T907 I908 | S904-G906 VanDerWaalsContact C-N 3.27Å; S904-G906 PolarHBondContact O-N 3.25Å; S904-T907 CarbonylContact O-C 3.43Å; S904-T907 WeakPolarHBondContact O-CA 3.32Å; S904-T907 VanDerWaalsContact O-CB 3.26Å; S904-T907 WeakPolarHBondContact O-CB 3.43Å; S904-T907 PolarHBondContact O-N 3.26Å; S904-T907 WeakPolarHBondContact OG-CB 3.41Å; S904-T907 PolarHBondContact OG-N 3.35Å; S904-T907 PolarHBondContact OG-OG1 2.62Å; S904-I908 WeakPolarHBondContact O-CG1 3.25Å; S904-I908 PolarHBondContact O-N 2.59Å |
| 905 | Q | 91.9 | Very high | 80 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54.2 | -45 | 177.3 | -174.5 | 63.3 | 21.2 | 0 | 0 | 111.8 | T907 I908 E909 | Q905-T907 VanDerWaalsContact C-N 3.27Å; Q905-T907 PolarHBondContact O-N 3.41Å; Q905-I908 WeakPolarHBondContact O-CB 3.25Å; Q905-I908 PolarHBondContact O-N 3.19Å; Q905-I908 VanDerWaalsContact O-N 3.14Å; Q905-E909 WeakPolarHBondContact CG-OE1 3.42Å; Q905-E909 PolarHBondContact NE2-OE1 2.81Å; Q905-E909 WeakPolarHBondContact O-CG 3.36Å; Q905-E909 PolarHBondContact O-N 3.08Å |
| 906 | G | 92.5 | Very high | 81.8 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.8 | -15.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S904 R910 | S904-G906 VanDerWaalsContact C-N 3.27Å; S904-G906 PolarHBondContact O-N 3.25Å; G906-R910 WeakPolarHBondContact O-CG 3.43Å; G906-R910 PolarHBondContact O-NE 2.78Å |
| 907 | T | 91.3 | Very high | 83.6 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75 | -51.5 | 163.7 | -61.3 | 0 | 0 | 0 | 0 | 109.2 | A903 S904 Q905 E909 R910 C911 I1013 E1014 | A903-T907 HydrophobicContact CB-CG2 3.84Å; S904-T907 CarbonylContact O-C 3.43Å; S904-T907 WeakPolarHBondContact O-CA 3.32Å; S904-T907 VanDerWaalsContact O-CB 3.26Å; S904-T907 WeakPolarHBondContact O-CB 3.43Å; S904-T907 PolarHBondContact O-N 3.26Å; S904-T907 WeakPolarHBondContact OG-CB 3.41Å; S904-T907 PolarHBondContact OG-N 3.35Å; S904-T907 PolarHBondContact OG-OG1 2.62Å; Q905-T907 VanDerWaalsContact C-N 3.27Å; Q905-T907 PolarHBondContact O-N 3.41Å; T907-E909 VanDerWaalsContact C-N 3.31Å; T907-E909 PolarHBondContact O-N 3.15Å; T907-R910 PolarHBondContact O-N 3.3Å; T907-R910 VanDerWaalsContact O-N 3.16Å; T907-C911 VanDerWaalsContact O-CB 3.27Å; T907-C911 WeakPolarHBondContact O-CB 3.41Å; T907-C911 PolarHBondContact O-N 3.36Å; T907-C911 PolarHBondContact O-SG 2.89Å; T907-I1013 HydrophobicContact CG2-CD1 4.22Å; T907-E1014 HydrophobicContact CG2-CG 3.72Å; T907-E1014 WeakPolarHBondContact CG2-OE1 3.34Å |
| 908 | I | 93.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.3 | -49.6 | -179.8 | -61.5 | 167.4 | 0 | 0 | 0 | 110.1 | A903 S904 Q905 R910 C911 T912 D997 L1000 L1001 I1013 | A903-I908 HydrophobicContact CB-CD1 4.32Å; A903-I908 HydrophobicContact CB-CG1 3.64Å; S904-I908 WeakPolarHBondContact O-CG1 3.25Å; S904-I908 PolarHBondContact O-N 2.59Å; Q905-I908 WeakPolarHBondContact O-CB 3.25Å; Q905-I908 PolarHBondContact O-N 3.19Å; Q905-I908 VanDerWaalsContact O-N 3.14Å; I908-R910 VanDerWaalsContact C-N 3.34Å; I908-R910 PolarHBondContact O-N 2.85Å; I908-C911 PolarHBondContact O-N 3.16Å; I908-T912 WeakPolarHBondContact O-CB 3.43Å; I908-T912 WeakPolarHBondContact O-CG2 3.16Å; I908-T912 PolarHBondContact O-N 3.34Å; I908-T912 VanDerWaalsContact O-N 3.15Å; I908-T912 PolarHBondContact O-OG1 3.24Å; I908-D997 WeakPolarHBondContact CG2-OD1 3.41Å; I908-L1000 HydrophobicContact CD1-CB 3.63Å; I908-L1000 HydrophobicContact CG1-CB 3.79Å; I908-L1000 HydrophobicContact CG1-CD1 4.19Å; I908-L1000 HydrophobicContact CG2-CD1 3.93Å; I908-L1001 HydrophobicContact CD1-CD2 4.02Å; I908-L1001 HydrophobicContact CD1-CG 3.91Å; I908-I1013 HydrophobicContact CG1-CD1 4.37Å |
| 909 | E | 93 | Very high | 87.1 | Confident | 113 Ų | 113 | 72.2 Ų | 72.2 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.4 | -29.3 | -178.5 | -71.6 | 166.5 | 177.9 | 0 | 0 | 114.4 | Q905 T907 | Q905-E909 WeakPolarHBondContact CG-OE1 3.42Å; Q905-E909 PolarHBondContact NE2-OE1 2.81Å; Q905-E909 WeakPolarHBondContact O-CG 3.36Å; Q905-E909 PolarHBondContact O-N 3.08Å; T907-E909 VanDerWaalsContact C-N 3.31Å; T907-E909 PolarHBondContact O-N 3.15Å |
| 910 | R | 92.6 | Very high | 88.1 | Confident | 179 Ų | 179 | 76.7 Ų | 76.7 | 68% | 0.675 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -85.1 | -31.1 | 174.3 | -72.4 | -178.4 | -63.8 | 145.4 | 6.8 | 113.4 | G906 T907 I908 | G906-R910 WeakPolarHBondContact O-CG 3.43Å; G906-R910 PolarHBondContact O-NE 2.78Å; T907-R910 PolarHBondContact O-N 3.3Å; T907-R910 VanDerWaalsContact O-N 3.16Å; I908-R910 VanDerWaalsContact C-N 3.34Å; I908-R910 PolarHBondContact O-N 2.85Å |
| 911 | C | 91.4 | Very high | 88.1 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -96 | 5.9 | -173.2 | -55 | 0 | 0 | 0 | 0 | 113.3 | T907 I908 P986 I1013 L1017 | T907-C911 VanDerWaalsContact O-CB 3.27Å; T907-C911 WeakPolarHBondContact O-CB 3.41Å; T907-C911 PolarHBondContact O-N 3.36Å; T907-C911 PolarHBondContact O-SG 2.89Å; I908-C911 PolarHBondContact O-N 3.16Å; C911-P986 WeakPolarHBondContact O-CD 3.31Å; C911-P986 WeakPolarHBondContact O-CG 3.39Å; C911-I1013 HydrophobicContact CB-CB 4.11Å; C911-I1013 HydrophobicContact CB-CD1 3.98Å; C911-I1013 HydrophobicContact CB-CG1 3.99Å; C911-L1017 HydrophobicContact CB-CD1 4.2Å; C911-L1017 WeakPolarHBondContact SG-CD1 3.33Å |
| 912 | T | 92.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 3% | 0.025 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -153 | 154.2 | -173.7 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | I908 P914 R983 R984 L985 L1000 I1013 | I908-T912 WeakPolarHBondContact O-CB 3.43Å; I908-T912 WeakPolarHBondContact O-CG2 3.16Å; I908-T912 PolarHBondContact O-N 3.34Å; I908-T912 VanDerWaalsContact O-N 3.15Å; I908-T912 PolarHBondContact O-OG1 3.24Å; T912-P914 VanDerWaalsContact O-CD 3.26Å; T912-P914 WeakPolarHBondContact O-CD 3.49Å; T912-R983 WeakPolarHBondContact OG1-CD 3.44Å; T912-R983 WeakPolarHBondContact OG1-CG 3.47Å; T912-R983 PolarHBondContact OG1-NH1 2.88Å; T912-R984 WeakPolarHBondContact CB-O 3.4Å; T912-L985 HydrophobicContact CG2-CD2 3.46Å; T912-L985 VanDerWaalsContact CG2-CD2 3.46Å; T912-L1000 HydrophobicContact CG2-CD1 4.18Å; T912-I1013 HydrophobicContact CG2-CD1 4.38Å; T912-I1013 HydrophobicContact CG2-CG2 4.42Å |
| 913 | Y | 93.8 | Very high | 85.2 | Confident | 133 Ų | 133 | 80.1 Ų | 80.1 | 52% | 0.522 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 98.5 | -169.2 | -56.5 | -81.8 | 0 | 0 | 0 | 111.5 | H915 R983 R984 | Y913-H915 PolarHBondContact O-ND1 3.09Å; Y913-R983 WeakPolarHBondContact O-CA 3.33Å; Y913-R984 PolarHBondContact N-O 3.4Å; Y913-R984 PolarHBondContact O-N 3.5Å |
| 914 | P | 92.2 | Very high | 83.3 | Confident | 69 Ų | 69 | 87.5 Ų | 87.5 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 139.3 | 170.9 | 31.6 | -33.7 | 0 | 0 | 0 | 109.9 | T912 V982 | T912-P914 VanDerWaalsContact O-CD 3.26Å; T912-P914 WeakPolarHBondContact O-CD 3.49Å; P914-V982 WeakPolarHBondContact CA-O 3.27Å |
| 915 | H | 92.1 | Very high | 81.2 | Confident | 72 Ų | 72 | 90.3 Ų | 90.3 | 33% | 0.333 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 164.9 | 176.8 | 57.2 | -66.1 | 0 | 0 | 0 | 110 | Y913 V982 L990 | Y913-H915 PolarHBondContact O-ND1 3.09Å; H915-V982 PolarHBondContact N-O 2.83Å; H915-V982 VanDerWaalsContact O-CG2 3.26Å; H915-V982 WeakPolarHBondContact O-CG2 3.43Å; H915-V982 PolarHBondContact O-N 2.71Å; H915-L990 WeakPolarHBondContact CE1-CD1 3.17Å |
| 916 | K | 92.2 | Very high | 79.2 | Confident | 114 Ų | 114 | 91.8 Ų | 91.8 | 50% | 0.496 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 134.7 | 166 | -68 | -51.7 | -153.7 | 165.1 | 0 | 109.7 | K918 G979 E980 D981 | K916-K918 PolarHBondContact O-N 3.4Å; K916-G979 WeakPolarHBondContact CD-O 3.37Å; K916-G979 WeakPolarHBondContact CE-O 3.27Å; K916-G979 PolarHBondContact NZ-O 3.37Å; K916-E980 WeakPolarHBondContact CA-O 3.36Å; K916-D981 VanDerWaalsContact CD-OD1 3.32Å; K916-D981 WeakPolarHBondContact CD-OD1 3.3Å; K916-D981 WeakPolarHBondContact CE-OD1 3.32Å; K916-D981 IonicContact NZ-OD1 3.87Å; K916-D981 PolarHBondContact NZ-OD1 3.45Å; K916-D981 IonicContact NZ-OD2 2.86Å; K916-D981 PolarHBondContact NZ-OD2 2.85Å |
| 917 | Y | 91.7 | Very high | 77.1 | Confident | 15 Ų | 15 | 95.6 Ų | 95.6 | 6% | 0.059 | 45% | 0.446 | C | S | . | . | | | trans | -66.2 | 126.5 | 172.1 | -176.4 | -118.7 | 0 | 0 | 0 | 108.2 | K919 E967 L976 E977 G979 E980 L990 | Y917-K919 HydrophobicContact CE1-CB 3.95Å; Y917-E967 HydrophobicContact CE2-CB 4.25Å; Y917-L976 HydrophobicContact CD1-CB 3.71Å; Y917-L976 HydrophobicContact CD2-CB 4.3Å; Y917-L976 HydrophobicContact CD2-CD1 4.22Å; Y917-L976 HydrophobicContact CE1-CB 3.78Å; Y917-L976 WeakPolarHBondContact CE1-O 3.38Å; Y917-L976 HydrophobicContact CE2-CB 4.35Å; Y917-L976 HydrophobicContact CE2-CD1 4.25Å; Y917-L976 HydrophobicContact CG-CB 3.98Å; Y917-E977 WeakPolarHBondContact CD1-O 3.45Å; Y917-G979 PolarHBondContact O-N 2.88Å; Y917-E980 PolarHBondContact N-O 3.33Å; Y917-L990 HydrophobicContact CD2-CD2 3.75Å; Y917-L990 HydrophobicContact CE2-CD2 3.88Å |
| 918 | K | 87.9 | Confident | 75.2 | Confident | 158 Ų | 158 | 103.3 Ų | 103.3 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | | | trans | -110.9 | 113.1 | 167.1 | -162.6 | -175.6 | -179 | 178.7 | 0 | 106.5 | K916 K920 E978 | K916-K918 PolarHBondContact O-N 3.4Å; K918-K920 PolarHBondContact O-N 2.76Å; K918-E978 WeakPolarHBondContact CG-OE1 3.3Å |
| 919 | K | 83.4 | Confident | 73 | Confident | 85 Ų | 85 | 112.1 Ų | 112.1 | 37% | 0.37 | 52% | 0.522 | S | S | . | . | | | trans | -59 | 118.9 | 173.8 | -175.4 | 171.3 | 177.6 | 177.3 | 0 | 106.4 | Y917 V921 E966 E978 | Y917-K919 HydrophobicContact CE1-CB 3.95Å; K919-V921 VanDerWaalsContact C-N 3.27Å; K919-V921 PolarHBondContact O-N 2.86Å; K919-E966 IonicContact NZ-OE1 3.35Å; K919-E966 PolarHBondContact NZ-OE1 2.98Å; K919-E978 HydrophobicContact CB-CB 4.34Å |
| 920 | K | 73 | Confident | 71 | Confident | 170 Ų | 170 | 111.2 Ų | 111.2 | 74% | 0.739 | 52% | 0.521 | S | S | * | . | | | trans | -70.6 | 96 | 169 | -74.2 | -179.7 | -179.6 | 174.7 | 0 | 106.4 | K918 L922 | K918-K920 PolarHBondContact O-N 2.76Å; K920-L922 PolarHBondContact O-N 2.74Å |
| 921 | V | 60.6 | Low | 69.4 | Low | 91 Ų | 91 | 106.5 Ų | 106.5 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | | | trans | -57.9 | 99.7 | 155.1 | -178.8 | 0 | 0 | 0 | 0 | 105.2 | K919 E923 | K919-V921 VanDerWaalsContact C-N 3.27Å; K919-V921 PolarHBondContact O-N 2.86Å; V921-E923 PolarHBondContact O-N 3.45Å |
| 922 | L | 55.8 | Low | 67.8 | Low | 139 Ų | 139 | 111.5 Ų | 111.5 | 73% | 0.728 | 54% | 0.544 | S | S | * | . | | | trans | -64.3 | 116.1 | 165 | -175.8 | 72 | 0 | 0 | 0 | 104.9 | K920 R924 | K920-L922 PolarHBondContact O-N 2.74Å; L922-R924 VanDerWaalsContact C-N 3.25Å; L922-R924 PolarHBondContact O-N 3.05Å |
| 923 | E | 46.8 | Very low | 66 | Low | 149 Ų | 149 | 118.4 Ų | 118.4 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -66.6 | 81.9 | -172.1 | -75.8 | -180 | 103.1 | 0 | 0 | 111.8 | V921 I926 | V921-E923 PolarHBondContact O-N 3.45Å; E923-I926 HydrophobicContact CB-CD1 4.08Å; E923-I926 HydrophobicContact CB-CG1 4.06Å |
| 924 | R | 49.9 | Very low | 64.3 | Low | 160 Ų | 160 | 113.6 Ų | 113.6 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | | | trans | -93.1 | -8.6 | 162.7 | -63.1 | -166.8 | 64.1 | 156.1 | -2.8 | 111.9 | L922 I926 D962 | L922-R924 VanDerWaalsContact C-N 3.25Å; L922-R924 PolarHBondContact O-N 3.05Å; R924-I926 VanDerWaalsContact C-N 3.27Å; R924-I926 PolarHBondContact O-N 3.36Å; R924-D962 IonicContact CZ-OD2 2.78Å; R924-D962 IonicContact NH1-OD2 3.51Å; R924-D962 PolarHBondContact NH1-OD2 2.83Å |
| 925 | D | 47.5 | Very low | 62.6 | Low | 125 Ų | 125 | 118.1 Ų | 118.1 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -84.4 | 16.7 | 175.6 | -64.2 | -26.8 | 0 | 0 | 0 | 114.2 | D927 Q928 | D925-D927 PolarHBondContact O-N 3.25Å; D925-Q928 PolarHBondContact O-N 3.31Å; D925-Q928 VanDerWaalsContact O-N 3.13Å |
| 926 | I | 50 | Low | 61 | Low | 106 Ų | 106 | 117.2 Ų | 117.2 | 54% | 0.544 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -62.4 | -24 | 175.6 | -69.7 | 176.3 | 0 | 0 | 0 | 111.5 | E923 R924 Q928 Q929 | E923-I926 HydrophobicContact CB-CD1 4.08Å; E923-I926 HydrophobicContact CB-CG1 4.06Å; R924-I926 VanDerWaalsContact C-N 3.27Å; R924-I926 PolarHBondContact O-N 3.36Å; I926-Q928 PolarHBondContact O-N 3.3Å; I926-Q928 VanDerWaalsContact O-N 3.1Å; I926-Q929 PolarHBondContact O-N 2.86Å |
| 927 | D | 48.7 | Very low | 59.4 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 60% | 0.599 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -69.7 | 2.4 | 174.2 | -79.9 | -31.9 | 0 | 0 | 0 | 114.8 | D925 | D925-D927 PolarHBondContact O-N 3.25Š|
| 928 | Q | 50.8 | Low | 57.9 | Low | 171 Ų | 171 | 120.2 Ų | 120.2 | 80% | 0.799 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -98.7 | 5.5 | 175.4 | -140.2 | 82.2 | 130.2 | 0 | 0 | 115.6 | D925 I926 | D925-Q928 PolarHBondContact O-N 3.31Å; D925-Q928 VanDerWaalsContact O-N 3.13Å; I926-Q928 PolarHBondContact O-N 3.3Å; I926-Q928 VanDerWaalsContact O-N 3.1Å |
| 929 | Q | 48.3 | Very low | 56 | Low | 185 Ų | 185 | 116 Ų | 116 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -118.9 | 1.1 | 173.2 | -75.3 | -174.9 | 79.3 | 0 | 0 | 115.1 | I926 | I926-Q929 PolarHBondContact O-N 2.86Š|
| 930 | L | 51 | Low | 54.5 | Low | 95 Ų | 95 | 118.9 Ų | 118.9 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -83 | 117.9 | 169 | -77.7 | 164.8 | 0 | 0 | 0 | 110.2 | A934 | L930-A934 HydrophobicContact CD2-CB 4.34Š|
| 931 | T | 57 | Low | 53.6 | Low | 80 Ų | 80 | 117.4 Ų | 117.4 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | | | trans | -66 | 151.9 | 179.7 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | E933 A934 | T931-E933 PolarHBondContact O-N 3.36Å; T931-A934 WeakPolarHBondContact O-CB 3.48Å; T931-A934 PolarHBondContact O-N 2.98Å |
| 932 | P | 58 | Low | 52.8 | Low | 108 Ų | 108 | 121 Ų | 121 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -55.2 | -25.9 | 176.2 | -27 | 35.6 | 0 | 0 | 0 | 113.9 | A936 | P932-A936 WeakPolarHBondContact O-CB 3.26Å; P932-A936 PolarHBondContact O-N 3.23Å; P932-A936 VanDerWaalsContact O-N 3.07Å |
| 933 | E | 56 | Low | 52.6 | Low | 149 Ų | 149 | 124 Ų | 124 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.1 | -29.2 | 178.9 | -62.4 | 174 | -130.9 | 0 | 0 | 113.2 | T931 S937 | T931-E933 PolarHBondContact O-N 3.36Å; E933-S937 WeakPolarHBondContact O-CB 3.35Å; E933-S937 PolarHBondContact O-N 2.82Å; E933-S937 VanDerWaalsContact O-N 3.14Å; E933-S937 PolarHBondContact O-OG 2.89Å |
| 934 | A | 56.9 | Low | 52.3 | Low | 32 Ų | 32 | 120.9 Ų | 120.9 | 26% | 0.264 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.1 | -49.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | L930 T931 A936 S937 I938 | L930-A934 HydrophobicContact CD2-CB 4.34Å; T931-A934 WeakPolarHBondContact O-CB 3.48Å; T931-A934 PolarHBondContact O-N 2.98Å; A934-A936 VanDerWaalsContact C-N 3.34Å; A934-A936 PolarHBondContact O-N 2.9Å; A934-S937 WeakPolarHBondContact O-CB 3.38Å; A934-S937 PolarHBondContact O-N 2.67Å; A934-I938 PolarHBondContact O-N 2.86Å; A934-I938 VanDerWaalsContact O-N 3.11Å |
| 935 | W | 56.7 | Low | 52 | Low | 164 Ų | 164 | 119.5 Ų | 119.5 | 62% | 0.621 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.1 | -42.6 | 174 | -76.9 | 99.5 | 0 | 0 | 0 | 112.2 | S937 I938 G939 | W935-S937 PolarHBondContact O-N 3.13Å; W935-S937 VanDerWaalsContact O-N 3.14Å; W935-I938 PolarHBondContact O-N 2.82Å; W935-G939 PolarHBondContact O-N 3.27Å |
| 936 | A | 58.3 | Low | 51.9 | Low | 54 Ų | 54 | 119.9 Ų | 119.9 | 45% | 0.446 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.8 | -8.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P932 A934 K940 | P932-A936 WeakPolarHBondContact O-CB 3.26Å; P932-A936 PolarHBondContact O-N 3.23Å; P932-A936 VanDerWaalsContact O-N 3.07Å; A934-A936 VanDerWaalsContact C-N 3.34Å; A934-A936 PolarHBondContact O-N 2.9Å; A936-K940 WeakPolarHBondContact O-CE 3.13Å; A936-K940 PolarHBondContact O-NZ 2.77Å |
| 937 | S | 58.8 | Low | 51.6 | Low | 70 Ų | 70 | 123.2 Ų | 123.2 | 49% | 0.49 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -98.9 | -36.5 | 175.5 | -60 | 0 | 0 | 0 | 0 | 112.1 | E933 A934 W935 | E933-S937 WeakPolarHBondContact O-CB 3.35Å; E933-S937 PolarHBondContact O-N 2.82Å; E933-S937 VanDerWaalsContact O-N 3.14Å; E933-S937 PolarHBondContact O-OG 2.89Å; A934-S937 WeakPolarHBondContact O-CB 3.38Å; A934-S937 PolarHBondContact O-N 2.67Å; W935-S937 PolarHBondContact O-N 3.13Å; W935-S937 VanDerWaalsContact O-N 3.14Å |
| 938 | I | 59.3 | Low | 51.1 | Low | 121 Ų | 121 | 123.8 Ų | 123.8 | 62% | 0.621 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67.3 | -40.3 | 175.9 | -65 | 166.7 | 0 | 0 | 0 | 111.2 | A934 W935 K940 | A934-I938 PolarHBondContact O-N 2.86Å; A934-I938 VanDerWaalsContact O-N 3.11Å; W935-I938 PolarHBondContact O-N 2.82Å; I938-K940 PolarHBondContact O-N 2.76Å |
| 939 | G | 49.2 | Very low | 50.9 | Low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -0.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | W935 | W935-G939 PolarHBondContact O-N 3.27Š|
| 940 | K | 50.9 | Low | 51 | Low | 146 Ų | 146 | 127.7 Ų | 127.7 | 64% | 0.635 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -11.3 | -176.6 | -71.5 | 172.2 | 178.2 | 131.9 | 0 | 114.4 | A936 I938 | A936-K940 WeakPolarHBondContact O-CE 3.13Å; A936-K940 PolarHBondContact O-NZ 2.77Å; I938-K940 PolarHBondContact O-N 2.76Å |
| 941 | N | 54 | Low | 50.4 | Low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -101.4 | 16.6 | -165.6 | -67.1 | 6.6 | 0 | 0 | 0 | 114.6 | | |
| 942 | M | 45.2 | Very low | 49.6 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | trans | -124.7 | 87.8 | 177.9 | -65.2 | -145.1 | 77.6 | 0 | 0 | 112.8 | A944 | M942-A944 PolarHBondContact O-N 3.14Š|
| 943 | H | 51.2 | Low | 48.7 | Very low | 202 Ų | 202 | 132.5 Ų | 132.5 | 94% | 0.935 | 72% | 0.72 | S | S | * | * | | | trans | -77.6 | 103.8 | 157 | -91.5 | -94.6 | 0 | 0 | 0 | 109.2 | | |
| 944 | A | 40.5 | Very low | 47.8 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | | | trans | -134.2 | 148.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | M942 | M942-A944 PolarHBondContact O-N 3.14Š|
| 945 | T | 43.5 | Very low | 46.9 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | -68.3 | 145.8 | -163.3 | 42.6 | 0 | 0 | 0 | 0 | 115.3 | E947 | T945-E947 PolarHBondContact O-N 2.87Å; T945-E947 VanDerWaalsContact O-N 3.16Å |
| 946 | P | 45.3 | Very low | 46 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -88.4 | 38.2 | -170.6 | 37.9 | -38.9 | 0 | 0 | 0 | 115.6 | | |
| 947 | E | 44.4 | Very low | 45.7 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -127.3 | 86.5 | 178 | -72.4 | -153.2 | 121 | 0 | 0 | 113.7 | T945 | T945-E947 PolarHBondContact O-N 2.87Å; T945-E947 VanDerWaalsContact O-N 3.16Å |
| 948 | S | 38.1 | Very low | 45.1 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | 179.2 | 72.4 | 147.3 | -84.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 949 | R | 45.2 | Very low | 44.7 | Very low | 249 Ų | 249 | 151.9 Ų | 151.9 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | | | trans | -103.8 | 69.2 | 170.8 | -84.6 | -170.3 | 173.9 | 175.6 | -0.4 | 112.7 | | |
| 950 | K | 50.4 | Low | 44.5 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -172.2 | 116.8 | 162.9 | -117 | 170.3 | -177.2 | 175.9 | 0 | 108.4 | | |
| 951 | L | 39.8 | Very low | 44.2 | Very low | 132 Ų | 132 | 149 Ų | 149 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | S | Bend | | -167.2 | 171.7 | 59.5 | -86.4 | 162.7 | 0 | 0 | 0 | 111.2 | | |
| 952 | H | 39.4 | Very low | 43.7 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | trans | 59.2 | 87.1 | 164.9 | -51.8 | 125.1 | 0 | 0 | 0 | 117.4 | | |
| 953 | G | 39.6 | Very low | 43.7 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -81.6 | 125.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 954 | K | 37.6 | Very low | 43.5 | Very low | 173 Ų | 173 | 143 Ų | 143 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -140.2 | 111.7 | 145.6 | -90 | -168.3 | 160.6 | -147.4 | 0 | 107.5 | D956 | K954-D956 IonicContact NZ-OD1 3.81Š|
| 955 | Q | 38.5 | Very low | 43.9 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | trans | -81.6 | 106.7 | 152.3 | -70.9 | 170.2 | -86.8 | 0 | 0 | 105 | | |
| 956 | D | 37.2 | Very low | 44.9 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | | | trans | -84.6 | 116.8 | 160 | -66.9 | -50.2 | 0 | 0 | 0 | 105.4 | K954 D958 | K954-D956 IonicContact NZ-OD1 3.81Å; D956-D958 PolarHBondContact O-N 3.34Å; D956-D958 VanDerWaalsContact O-N 3.09Å |
| 957 | E | 51.8 | Low | 46.7 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | | | trans | -76.1 | 91 | -176.4 | -66.5 | 175.2 | 130.9 | 0 | 0 | 110.2 | E959 | E957-E959 PolarHBondContact O-N 2.99Š|
| 958 | D | 46.1 | Very low | 49 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | | | trans | -89.2 | 37.8 | 174.4 | -158.1 | 29 | 0 | 0 | 0 | 112.5 | D956 G960 | D956-D958 PolarHBondContact O-N 3.34Å; D956-D958 VanDerWaalsContact O-N 3.09Å; D958-G960 PolarHBondContact O-N 2.78Å |
| 959 | E | 51.7 | Low | 51.6 | Low | 172 Ų | 172 | 128.8 Ų | 128.8 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | | | trans | -91.7 | 78.7 | 168.3 | -86.7 | -76.5 | 133.7 | 0 | 0 | 108.2 | E957 | E957-E959 PolarHBondContact O-N 2.99Š|
| 960 | G | 44.5 | Very low | 53.9 | Low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 64% | 0.641 | S | S | * | * | | | trans | -169.1 | 18.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | D958 | D958-G960 PolarHBondContact O-N 2.78Š|
| 961 | A | 44.9 | Very low | 56 | Low | 78 Ų | 78 | 113.7 Ų | 113.7 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -119.1 | -23.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 962 | D | 42.8 | Very low | 58.6 | Low | 87 Ų | 87 | 109.9 Ų | 109.9 | 47% | 0.465 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -88.9 | -16.5 | -168.6 | -82.7 | -0.5 | 0 | 0 | 0 | 115.2 | R924 D964 T965 | R924-D962 IonicContact CZ-OD2 2.78Å; R924-D962 IonicContact NH1-OD2 3.51Å; R924-D962 PolarHBondContact NH1-OD2 2.83Å; D962-D964 PolarHBondContact O-N 3.11Å; D962-T965 PolarHBondContact O-OG1 3.31Å |
| 963 | E | 46.1 | Very low | 61.1 | Low | 168 Ų | 168 | 108.4 Ų | 108.4 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -69.4 | -28.8 | -176.3 | -79.1 | -163.4 | 132 | 0 | 0 | 115.1 | T965 E966 | E963-T965 PolarHBondContact O-N 3.28Å; E963-E966 WeakPolarHBondContact O-CG 3.47Å; E963-E966 PolarHBondContact O-N 3.48Å |
| 964 | D | 45.2 | Very low | 63.7 | Low | 129 Ų | 129 | 107.7 Ų | 107.7 | 69% | 0.69 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -77.2 | 8 | -178.2 | -164.6 | 27.6 | 0 | 0 | 0 | 113.8 | D962 K968 | D962-D964 PolarHBondContact O-N 3.11Å; D964-K968 PolarHBondContact O-NZ 3.22Å; D964-K968 IonicContact OD1-NZ 3.36Å; D964-K968 PolarHBondContact OD1-NZ 3.32Å |
| 965 | T | 50.6 | Low | 66.2 | Low | 115 Ų | 115 | 103.3 Ų | 103.3 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -79.9 | 0.4 | 168.9 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | D962 E963 E967 | D962-T965 PolarHBondContact O-OG1 3.31Å; E963-T965 PolarHBondContact O-N 3.28Å; T965-E967 PolarHBondContact O-N 2.68Å |
| 966 | E | 64.3 | Low | 68.8 | Low | 62 Ų | 62 | 94.5 Ų | 94.5 | 29% | 0.29 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -56.8 | 119.8 | 170.5 | -71.8 | -172.1 | 142.2 | 0 | 0 | 111.7 | K919 E963 K968 I975 | K919-E966 IonicContact NZ-OE1 3.35Å; K919-E966 PolarHBondContact NZ-OE1 2.98Å; E963-E966 WeakPolarHBondContact O-CG 3.47Å; E963-E966 PolarHBondContact O-N 3.48Å; E966-K968 PolarHBondContact O-N 3.18Å; E966-K968 VanDerWaalsContact O-N 3.16Å; E966-I975 HydrophobicContact CB-CG2 4.04Å |
| 967 | E | 82.9 | Confident | 71.3 | Confident | 80 Ų | 80 | 95.2 Ų | 95.2 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | | | trans | -62.3 | 117.8 | -177.3 | -61.8 | -173.8 | -141.5 | 0 | 0 | 109.1 | Y917 T965 L976 L990 | Y917-E967 HydrophobicContact CE2-CB 4.25Å; T965-E967 PolarHBondContact O-N 2.68Å; E967-L976 HydrophobicContact CB-CD1 4.04Å; E967-L976 VanDerWaalsContact O-CB 3.23Å; E967-L976 WeakPolarHBondContact O-CB 3.34Å; E967-L976 WeakPolarHBondContact O-CG 3.41Å; E967-L976 PolarHBondContact O-N 3.06Å; E967-L990 VanDerWaalsContact OE2-CD2 3.26Å; E967-L990 WeakPolarHBondContact OE2-CD2 3.24Å |
| 968 | K | 91.2 | Very high | 73.1 | Confident | 90 Ų | 90 | 92 Ų | 92 | 39% | 0.391 | 51% | 0.506 | S | S | . | . | B | Isolated β-bridge | trans | -116.5 | 130.8 | -174 | 43.6 | -176.5 | 155.7 | -83.5 | 0 | 111.4 | D964 E966 T970 S974 | D964-K968 PolarHBondContact O-NZ 3.22Å; D964-K968 IonicContact OD1-NZ 3.36Å; D964-K968 PolarHBondContact OD1-NZ 3.32Å; E966-K968 PolarHBondContact O-N 3.18Å; E966-K968 VanDerWaalsContact O-N 3.16Å; K968-T970 PolarHBondContact O-N 2.89Å; K968-T970 VanDerWaalsContact O-N 3.13Å; K968-S974 CarbonylContact C-O 3.49Å; K968-S974 WeakPolarHBondContact CA-O 3.5Å; K968-S974 WeakPolarHBondContact CB-O 3.39Å |
| 969 | C | 94.1 | Very high | 75.2 | Confident | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 49% | 0.486 | C | S | . | . | | | trans | -69.8 | 110.8 | 179.4 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | I971 C972 L973 S974 L976 H992 | C969-I971 PolarHBondContact O-N 3.39Å; C969-C972 VanDerWaalsContact CB-SG 3.59Å; C969-C972 PolarHBondContact O-N 2.82Å; C969-L973 WeakPolarHBondContact O-CA 3.27Å; C969-L973 PolarHBondContact O-N 3.43Å; C969-S974 PolarHBondContact N-O 3.43Å; C969-L976 HydrophobicContact CB-CD2 3.88Å; C969-H992 VanDerWaalsContact CB-ND1 3.26Å; C969-H992 WeakPolarHBondContact CB-ND1 3.41Å; C969-H992 PolarHBondContact SG-N 3.41Å; C969-H992 VanDerWaalsContact SG-N 3.44Å |
| 970 | T | 93.3 | Very high | 77.2 | Confident | 66 Ų | 66 | 81.4 Ų | 81.4 | 41% | 0.405 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 5.3 | -173 | 78.2 | 0 | 0 | 0 | 0 | 114.9 | K968 I1008 | K968-T970 PolarHBondContact O-N 2.89Å; K968-T970 VanDerWaalsContact O-N 3.13Å; T970-I1008 HydrophobicContact CG2-CD1 3.73Å; T970-I1008 HydrophobicContact CG2-CG1 4.17Å; T970-I1008 WeakPolarHBondContact OG1-CG1 3.31Å |
| 971 | I | 93.8 | Very high | 79.6 | Confident | 56 Ų | 56 | 81.7 Ų | 81.7 | 29% | 0.287 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -49.4 | 178.3 | -56.9 | 171 | 0 | 0 | 0 | 110.4 | C969 F991 C995 V996 W999 P1007 | C969-I971 PolarHBondContact O-N 3.39Å; I971-F991 HydrophobicContact CD1-CB 4.27Å; I971-F991 HydrophobicContact CD1-CD1 3.66Å; I971-F991 HydrophobicContact CD1-CE1 4.27Å; I971-F991 HydrophobicContact CD1-CG 4.08Å; I971-F991 HydrophobicContact CG1-CD1 3.79Å; I971-F991 HydrophobicContact CG1-CE1 4.18Å; I971-C995 HydrophobicContact CB-CB 3.97Å; I971-C995 HydrophobicContact CD1-CB 3.98Å; I971-C995 HydrophobicContact CG2-CB 3.93Å; I971-V996 HydrophobicContact CD1-CB 3.86Å; I971-V996 HydrophobicContact CD1-CG2 4.25Å; I971-W999 HydrophobicContact CD1-CB 4.33Å; I971-P1007 HydrophobicContact CD1-CG 3.91Å; I971-P1007 HydrophobicContact CG1-CB 4.4Å; I971-P1007 HydrophobicContact CG1-CG 4.03Å |
| 972 | C | 94.8 | Very high | 82 | Confident | 52 Ų | 52 | 78 Ų | 78 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -19.1 | 176 | 60.4 | 0 | 0 | 0 | 0 | 113 | C969 S974 H992 | C969-C972 VanDerWaalsContact CB-SG 3.59Å; C969-C972 PolarHBondContact O-N 2.82Å; C972-S974 PolarHBondContact O-N 2.83Å; C972-S974 PolarHBondContact SG-N 3.35Å; C972-S974 VanDerWaalsContact SG-N 3.43Å; C972-H992 PolarHBondContact SG-ND1 3.22Å |
| 973 | L | 93.1 | Very high | 84.5 | Confident | 141 Ų | 141 | 74 Ų | 74 | 74% | 0.738 | 39% | 0.393 | S | S | * | . | | | trans | 67.3 | 13.1 | -172.5 | -49.1 | 177.7 | 0 | 0 | 0 | 115 | C969 | C969-L973 WeakPolarHBondContact O-CA 3.27Å; C969-L973 PolarHBondContact O-N 3.43Å |
| 974 | S | 92.6 | Very high | 86.8 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 152.3 | 168.9 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | K968 C969 C972 | K968-S974 CarbonylContact C-O 3.49Å; K968-S974 WeakPolarHBondContact CA-O 3.5Å; K968-S974 WeakPolarHBondContact CB-O 3.39Å; C969-S974 PolarHBondContact N-O 3.43Å; C972-S974 PolarHBondContact O-N 2.83Å; C972-S974 PolarHBondContact SG-N 3.35Å; C972-S974 VanDerWaalsContact SG-N 3.43Å |
| 975 | I | 91.6 | Very high | 89.2 | Confident | 81 Ų | 81 | 65 Ų | 65 | 42% | 0.415 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -61.1 | 154 | 162.4 | -64.1 | 156.4 | 0 | 0 | 0 | 109 | E966 | E966-I975 HydrophobicContact CB-CG2 4.04Å |
| 976 | L | 92.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 122.1 | 168.6 | -61.2 | 175.7 | 0 | 0 | 0 | 109.6 | Y917 E967 C969 E980 V982 L990 H992 | Y917-L976 HydrophobicContact CD1-CB 3.71Å; Y917-L976 HydrophobicContact CD2-CB 4.3Å; Y917-L976 HydrophobicContact CD2-CD1 4.22Å; Y917-L976 HydrophobicContact CE1-CB 3.78Å; Y917-L976 WeakPolarHBondContact CE1-O 3.38Å; Y917-L976 HydrophobicContact CE2-CB 4.35Å; Y917-L976 HydrophobicContact CE2-CD1 4.25Å; Y917-L976 HydrophobicContact CG-CB 3.98Å; E967-L976 HydrophobicContact CB-CD1 4.04Å; E967-L976 VanDerWaalsContact O-CB 3.23Å; E967-L976 WeakPolarHBondContact O-CB 3.34Å; E967-L976 WeakPolarHBondContact O-CG 3.41Å; E967-L976 PolarHBondContact O-N 3.06Å; C969-L976 HydrophobicContact CB-CD2 3.88Å; L976-E980 WeakPolarHBondContact CA-OE2 3.4Å; L976-V982 HydrophobicContact CD1-CG1 4.18Å; L976-V982 HydrophobicContact CD2-CG1 3.66Å; L976-V982 HydrophobicContact CG-CG1 4.41Å; L976-L990 HydrophobicContact CD1-CD2 3.49Å; L976-L990 VanDerWaalsContact CD1-CD2 3.49Å; L976-L990 HydrophobicContact CD1-CG 3.76Å; L976-H992 WeakPolarHBondContact CD2-NE2 3.34Å |
| 977 | E | 89.6 | Confident | 92.6 | Very high | 137 Ų | 137 | 58.3 Ų | 58.3 | 64% | 0.64 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -95 | 146.8 | 178.9 | -65 | 179.5 | -164.4 | 0 | 0 | 111.3 | Y917 G979 E980 | Y917-E977 WeakPolarHBondContact CD1-O 3.45Å; E977-G979 PolarHBondContact O-N 2.8Å; E977-E980 HydrophobicContact CB-CG 3.99Å; E977-E980 PolarHBondContact N-OE2 3.31Å; E977-E980 WeakPolarHBondContact O-CB 3.47Å; E977-E980 WeakPolarHBondContact O-CG 3.21Å; E977-E980 PolarHBondContact O-N 2.84Å; E977-E980 VanDerWaalsContact O-N 3.08Å |
| 978 | E | 90 | Very high | 93.1 | Very high | 120 Ų | 120 | 59 Ų | 59 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 129.4 | -176.8 | -177.4 | 162.9 | -155.6 | 0 | 0 | 111.5 | K918 K919 | K918-E978 WeakPolarHBondContact CG-OE1 3.3Å; K919-E978 HydrophobicContact CB-CB 4.34Å |
| 979 | G | 89.6 | Confident | 93.2 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -3.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K916 Y917 E977 | K916-G979 WeakPolarHBondContact CD-O 3.37Å; K916-G979 WeakPolarHBondContact CE-O 3.27Å; K916-G979 PolarHBondContact NZ-O 3.37Å; Y917-G979 PolarHBondContact O-N 2.88Å; E977-G979 PolarHBondContact O-N 2.8Å |
| 980 | E | 93.5 | Very high | 93.2 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 29% | 0.29 | 31% | 0.311 | S | S | . | . | | | trans | -67 | 150.9 | 172 | -74.7 | -166 | 114.7 | 0 | 0 | 112.9 | K916 Y917 L976 E977 V982 H992 | K916-E980 WeakPolarHBondContact CA-O 3.36Å; Y917-E980 PolarHBondContact N-O 3.33Å; L976-E980 WeakPolarHBondContact CA-OE2 3.4Å; E977-E980 HydrophobicContact CB-CG 3.99Å; E977-E980 PolarHBondContact N-OE2 3.31Å; E977-E980 WeakPolarHBondContact O-CB 3.47Å; E977-E980 WeakPolarHBondContact O-CG 3.21Å; E977-E980 PolarHBondContact O-N 2.84Å; E977-E980 VanDerWaalsContact O-N 3.08Å; E980-V982 PolarHBondContact O-N 2.86Å; E980-H992 IonicContact OE1-CD2 3.25Å; E980-H992 IonicContact OE1-NE2 2.68Å; E980-H992 PolarHBondContact OE1-NE2 3.01Å; E980-H992 IonicContact OE2-CD2 2.76Å; E980-H992 PolarHBondContact OE2-CD2 3.39Å; E980-H992 IonicContact OE2-CE1 2.62Å; E980-H992 IonicContact OE2-NE2 3.41Å; E980-H992 PolarHBondContact OE2-NE2 2.91Å |
| 981 | D | 95.5 | Very high | 93.3 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 109.3 | 173.8 | -66.1 | -66 | 0 | 0 | 0 | 110.5 | K916 Q993 | K916-D981 VanDerWaalsContact CD-OD1 3.32Å; K916-D981 WeakPolarHBondContact CD-OD1 3.3Å; K916-D981 WeakPolarHBondContact CE-OD1 3.32Å; K916-D981 IonicContact NZ-OD1 3.87Å; K916-D981 PolarHBondContact NZ-OD1 3.45Å; K916-D981 IonicContact NZ-OD2 2.86Å; K916-D981 PolarHBondContact NZ-OD2 2.85Å; D981-Q993 HydrophobicContact CB-CB 4.26Å; D981-Q993 WeakPolarHBondContact O-CB 3.46Å; D981-Q993 PolarHBondContact O-N 2.88Å |
| 982 | V | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 157 | -179.4 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | P914 H915 L976 E980 L990 F991 | P914-V982 WeakPolarHBondContact CA-O 3.27Å; H915-V982 PolarHBondContact N-O 2.83Å; H915-V982 VanDerWaalsContact O-CG2 3.26Å; H915-V982 WeakPolarHBondContact O-CG2 3.43Å; H915-V982 PolarHBondContact O-N 2.71Å; L976-V982 HydrophobicContact CD1-CG1 4.18Å; L976-V982 HydrophobicContact CD2-CG1 3.66Å; L976-V982 HydrophobicContact CG-CG1 4.41Å; E980-V982 PolarHBondContact O-N 2.86Å; V982-L990 HydrophobicContact CB-CD1 3.8Å; V982-L990 HydrophobicContact CB-CG 4.3Å; V982-L990 HydrophobicContact CG2-CD1 3.86Å; V982-F991 CarbonylContact C-O 3.5Å; V982-F991 WeakPolarHBondContact CA-O 3.17Å; V982-F991 VanDerWaalsContact CB-O 3.29Å; V982-F991 WeakPolarHBondContact CB-O 3.19Å |
| 983 | R | 94.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 124.1 | -178.8 | -176 | -172 | -78.1 | -82.9 | 18.3 | 109.7 | T912 Y913 F991 Q993 V996 D997 | T912-R983 WeakPolarHBondContact OG1-CD 3.44Å; T912-R983 WeakPolarHBondContact OG1-CG 3.47Å; T912-R983 PolarHBondContact OG1-NH1 2.88Å; Y913-R983 WeakPolarHBondContact O-CA 3.33Å; R983-F991 PolarHBondContact N-O 3.09Å; R983-F991 PolarHBondContact O-N 3.3Å; R983-Q993 HydrophobicContact CB-CB 4.2Å; R983-Q993 HydrophobicContact CB-CG 4.34Å; R983-V996 HydrophobicContact CB-CG1 3.88Å; R983-V996 HydrophobicContact CG-CG1 4.3Å; R983-D997 WeakPolarHBondContact CD-OD1 3.01Å; R983-D997 IonicContact CZ-OD1 2.82Å; R983-D997 IonicContact CZ-OD2 3.19Å; R983-D997 IonicContact NE-OD1 3.36Å; R983-D997 PolarHBondContact NE-OD1 3.31Å; R983-D997 IonicContact NE-OD2 2.77Å; R983-D997 PolarHBondContact NE-OD2 2.93Å; R983-D997 IonicContact NH2-OD1 2.67Å; R983-D997 PolarHBondContact NH2-OD1 3.09Å; R983-D997 IonicContact NH2-OD2 2.74Å; R983-D997 PolarHBondContact NH2-OD2 2.76Å |
| 984 | R | 95.1 | Very high | 93.6 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.9 | 175.6 | -148.1 | 176.7 | -172.8 | -168.9 | 0.5 | 109.6 | T912 Y913 M988 H989 L990 | T912-R984 WeakPolarHBondContact CB-O 3.4Å; Y913-R984 PolarHBondContact N-O 3.4Å; Y913-R984 PolarHBondContact O-N 3.5Å; R984-M988 WeakPolarHBondContact CG-O 3.5Å; R984-M988 PolarHBondContact NE-O 3.05Å; R984-M988 PolarHBondContact NH1-SD 2.79Å; R984-M988 VanDerWaalsContact NH1-SD 3.42Å; R984-M988 PolarHBondContact NH2-SD 3.23Å; R984-H989 WeakPolarHBondContact CA-O 3.24Å; R984-L990 HydrophobicContact CB-CD1 4.42Å |
| 985 | L | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | | | trans | -80.4 | 162.3 | 170.3 | -55.6 | -171 | 0 | 0 | 0 | 110.3 | T912 C987 M988 H989 F991 V996 L1000 C1006 I1013 | T912-L985 HydrophobicContact CG2-CD2 3.46Å; T912-L985 VanDerWaalsContact CG2-CD2 3.46Å; L985-C987 PolarHBondContact O-N 3.28Å; L985-M988 WeakPolarHBondContact O-CA 3.32Å; L985-M988 PolarHBondContact O-N 3.06Å; L985-H989 PolarHBondContact N-O 2.87Å; L985-F991 HydrophobicContact CD1-CD2 4.28Å; L985-F991 HydrophobicContact CD1-CE2 3.63Å; L985-F991 HydrophobicContact CG-CD2 4.21Å; L985-F991 HydrophobicContact CG-CE2 3.92Å; L985-V996 HydrophobicContact CD1-CG2 4.2Å; L985-V996 HydrophobicContact CD2-CG2 3.96Å; L985-V996 HydrophobicContact CG-CG2 4.42Å; L985-L1000 HydrophobicContact CD2-CD1 3.89Å; L985-C1006 HydrophobicContact CD1-CB 3.69Å; L985-I1013 HydrophobicContact CD1-CG2 4.43Å; L985-I1013 HydrophobicContact CD2-CG2 4.26Å |
| 986 | P | 93.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -37.3 | 176.9 | -29 | 39.3 | 0 | 0 | 0 | 112.1 | C911 M988 Q1016 | C911-P986 WeakPolarHBondContact O-CD 3.31Å; C911-P986 WeakPolarHBondContact O-CG 3.39Å; P986-M988 WeakPolarHBondContact O-CE 3.38Å; P986-M988 PolarHBondContact O-N 3.09Å; P986-Q1016 HydrophobicContact CB-CB 4.01Å; P986-Q1016 HydrophobicContact CB-CG 4.39Å; P986-Q1016 PolarHBondContact O-OE1 3Å |
| 987 | C | 93.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 23 | 170.3 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | L985 H989 C1009 V1011 | L985-C987 PolarHBondContact O-N 3.28Å; C987-H989 PolarHBondContact O-CE1 3.05Å; C987-H989 PolarHBondContact O-N 2.91Å; C987-H989 PolarHBondContact O-ND1 3.18Å; C987-C1009 PolarHBondContact SG-SG 3.18Å; C987-V1011 HydrophobicContact CB-CB 4.28Å; C987-V1011 HydrophobicContact CB-CG1 4.47Å |
| 988 | M | 92.5 | Very high | 94.3 | Very high | 95 Ų | 95 | 48.2 Ų | 48.2 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | | | trans | 61.2 | -7.6 | 173.4 | -62 | -67.7 | 100.3 | 0 | 0 | 118.1 | R984 L985 P986 | R984-M988 WeakPolarHBondContact CG-O 3.5Å; R984-M988 PolarHBondContact NE-O 3.05Å; R984-M988 PolarHBondContact NH1-SD 2.79Å; R984-M988 VanDerWaalsContact NH1-SD 3.42Å; R984-M988 PolarHBondContact NH2-SD 3.23Å; L985-M988 WeakPolarHBondContact O-CA 3.32Å; L985-M988 PolarHBondContact O-N 3.06Å; P986-M988 WeakPolarHBondContact O-CE 3.38Å; P986-M988 PolarHBondContact O-N 3.09Å |
| 989 | H | 93.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | | | trans | -64.7 | 146 | 176.3 | -65.9 | 87 | 0 | 0 | 0 | 112.7 | R984 L985 C987 F991 I1008 C1009 | R984-H989 WeakPolarHBondContact CA-O 3.24Å; L985-H989 PolarHBondContact N-O 2.87Å; C987-H989 PolarHBondContact O-CE1 3.05Å; C987-H989 PolarHBondContact O-N 2.91Å; C987-H989 PolarHBondContact O-ND1 3.18Å; H989-F991 HydrophobicContact CB-CE2 3.72Å; H989-F991 HydrophobicContact CB-CZ 3.99Å; H989-I1008 HydrophobicContact CB-CD1 4.29Å; H989-I1008 VanDerWaalsContact CD2-CD1 3.49Å; H989-I1008 WeakPolarHBondContact CD2-CD1 3.48Å; H989-I1008 WeakPolarHBondContact NE2-CG2 3.49Å; H989-C1009 VanDerWaalsContact CE1-SG 3.6Å |
| 990 | L | 94.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 13% | 0.131 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.2 | -173 | -169.2 | 62.7 | 0 | 0 | 0 | 112.8 | H915 Y917 E967 L976 V982 R984 | H915-L990 WeakPolarHBondContact CE1-CD1 3.17Å; Y917-L990 HydrophobicContact CD2-CD2 3.75Å; Y917-L990 HydrophobicContact CE2-CD2 3.88Å; E967-L990 VanDerWaalsContact OE2-CD2 3.26Å; E967-L990 WeakPolarHBondContact OE2-CD2 3.24Å; L976-L990 HydrophobicContact CD1-CD2 3.49Å; L976-L990 VanDerWaalsContact CD1-CD2 3.49Å; L976-L990 HydrophobicContact CD1-CG 3.76Å; V982-L990 HydrophobicContact CB-CD1 3.8Å; V982-L990 HydrophobicContact CB-CG 4.3Å; V982-L990 HydrophobicContact CG2-CD1 3.86Å; R984-L990 HydrophobicContact CB-CD1 4.42Å |
| 991 | F | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 158.7 | -179.8 | -51.3 | -87.6 | 0 | 0 | 0 | 110.2 | I971 V982 R983 L985 H989 Q993 V996 P1007 I1008 | I971-F991 HydrophobicContact CD1-CB 4.27Å; I971-F991 HydrophobicContact CD1-CD1 3.66Å; I971-F991 HydrophobicContact CD1-CE1 4.27Å; I971-F991 HydrophobicContact CD1-CG 4.08Å; I971-F991 HydrophobicContact CG1-CD1 3.79Å; I971-F991 HydrophobicContact CG1-CE1 4.18Å; V982-F991 CarbonylContact C-O 3.5Å; V982-F991 WeakPolarHBondContact CA-O 3.17Å; V982-F991 VanDerWaalsContact CB-O 3.29Å; V982-F991 WeakPolarHBondContact CB-O 3.19Å; R983-F991 PolarHBondContact N-O 3.09Å; R983-F991 PolarHBondContact O-N 3.3Å; L985-F991 HydrophobicContact CD1-CD2 4.28Å; L985-F991 HydrophobicContact CD1-CE2 3.63Å; L985-F991 HydrophobicContact CG-CD2 4.21Å; L985-F991 HydrophobicContact CG-CE2 3.92Å; H989-F991 HydrophobicContact CB-CE2 3.72Å; H989-F991 HydrophobicContact CB-CZ 3.99Å; F991-Q993 PolarHBondContact O-N 2.94Å; F991-V996 HydrophobicContact CB-CB 3.69Å; F991-V996 HydrophobicContact CB-CG1 3.98Å; F991-V996 HydrophobicContact CB-CG2 4.35Å; F991-V996 HydrophobicContact CD2-CB 4.05Å; F991-V996 HydrophobicContact CD2-CG1 4.48Å; F991-V996 HydrophobicContact CD2-CG2 3.75Å; F991-V996 HydrophobicContact CE2-CG2 4.28Å; F991-V996 HydrophobicContact CG-CB 3.95Å; F991-V996 HydrophobicContact CG-CG2 4.08Å; F991-P1007 HydrophobicContact CE1-CB 4.05Å; F991-P1007 HydrophobicContact CE1-CG 3.84Å; F991-P1007 HydrophobicContact CZ-CB 4.21Å; F991-P1007 HydrophobicContact CZ-CG 3.88Å; F991-I1008 HydrophobicContact CE1-CD1 3.68Å; F991-I1008 HydrophobicContact CE1-CG1 3.98Å; F991-I1008 HydrophobicContact CZ-CD1 3.59Å; F991-I1008 HydrophobicContact CZ-CG1 3.88Å |
| 992 | H | 96.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 133.4 | 160.6 | -67.1 | 113.4 | 0 | 0 | 0 | 110.5 | C969 C972 L976 E980 L994 C995 V996 | C969-H992 VanDerWaalsContact CB-ND1 3.26Å; C969-H992 WeakPolarHBondContact CB-ND1 3.41Å; C969-H992 PolarHBondContact SG-N 3.41Å; C969-H992 VanDerWaalsContact SG-N 3.44Å; C972-H992 PolarHBondContact SG-ND1 3.22Å; L976-H992 WeakPolarHBondContact CD2-NE2 3.34Å; E980-H992 IonicContact OE1-CD2 3.25Å; E980-H992 IonicContact OE1-NE2 2.68Å; E980-H992 PolarHBondContact OE1-NE2 3.01Å; E980-H992 IonicContact OE2-CD2 2.76Å; E980-H992 PolarHBondContact OE2-CD2 3.39Å; E980-H992 IonicContact OE2-CE1 2.62Å; E980-H992 IonicContact OE2-NE2 3.41Å; E980-H992 PolarHBondContact OE2-NE2 2.91Å; H992-L994 PolarHBondContact O-N 3.25Å; H992-C995 HydrophobicContact CB-CB 4Å; H992-C995 PolarHBondContact O-N 2.87Å; H992-C995 VanDerWaalsContact O-N 3.08Å; H992-V996 PolarHBondContact O-N 2.67Å; H992-V996 VanDerWaalsContact O-N 3.07Å |
| 993 | Q | 95.3 | Very high | 94.5 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.7 | -50.6 | -176.9 | 178.8 | 175.4 | -14.1 | 0 | 0 | 111.3 | D981 R983 F991 C995 V996 D997 | D981-Q993 HydrophobicContact CB-CB 4.26Å; D981-Q993 WeakPolarHBondContact O-CB 3.46Å; D981-Q993 PolarHBondContact O-N 2.88Å; R983-Q993 HydrophobicContact CB-CB 4.2Å; R983-Q993 HydrophobicContact CB-CG 4.34Å; F991-Q993 PolarHBondContact O-N 2.94Å; Q993-C995 VanDerWaalsContact C-N 3.29Å; Q993-C995 PolarHBondContact O-N 3.42Å; Q993-V996 PolarHBondContact O-N 2.88Å; Q993-D997 VanDerWaalsContact O-CB 3.29Å; Q993-D997 WeakPolarHBondContact O-CB 3.44Å; Q993-D997 PolarHBondContact O-N 3.23Å |
| 994 | L | 95.3 | Very high | 94.4 | Very high | 144 Ų | 144 | 50.6 Ų | 50.6 | 75% | 0.754 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.1 | -36.8 | 179.2 | -60.8 | 179 | 0 | 0 | 0 | 113.1 | H992 Q998 | H992-L994 PolarHBondContact O-N 3.25Å; L994-Q998 WeakPolarHBondContact O-CB 3.2Å; L994-Q998 PolarHBondContact O-N 3.02Å |
| 995 | C | 95.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.8 | -43.8 | -178.1 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | I971 H992 Q993 W999 | I971-C995 HydrophobicContact CB-CB 3.97Å; I971-C995 HydrophobicContact CD1-CB 3.98Å; I971-C995 HydrophobicContact CG2-CB 3.93Å; H992-C995 HydrophobicContact CB-CB 4Å; H992-C995 PolarHBondContact O-N 2.87Å; H992-C995 VanDerWaalsContact O-N 3.08Å; Q993-C995 VanDerWaalsContact C-N 3.29Å; Q993-C995 PolarHBondContact O-N 3.42Å; C995-W999 PolarHBondContact O-N 2.92Å |
| 996 | V | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -80.1 | -30.4 | -179.1 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | I971 R983 L985 F991 H992 Q993 W999 L1000 | I971-V996 HydrophobicContact CD1-CB 3.86Å; I971-V996 HydrophobicContact CD1-CG2 4.25Å; R983-V996 HydrophobicContact CB-CG1 3.88Å; R983-V996 HydrophobicContact CG-CG1 4.3Å; L985-V996 HydrophobicContact CD1-CG2 4.2Å; L985-V996 HydrophobicContact CD2-CG2 3.96Å; L985-V996 HydrophobicContact CG-CG2 4.42Å; F991-V996 HydrophobicContact CB-CB 3.69Å; F991-V996 HydrophobicContact CB-CG1 3.98Å; F991-V996 HydrophobicContact CB-CG2 4.35Å; F991-V996 HydrophobicContact CD2-CB 4.05Å; F991-V996 HydrophobicContact CD2-CG1 4.48Å; F991-V996 HydrophobicContact CD2-CG2 3.75Å; F991-V996 HydrophobicContact CE2-CG2 4.28Å; F991-V996 HydrophobicContact CG-CB 3.95Å; F991-V996 HydrophobicContact CG-CG2 4.08Å; H992-V996 PolarHBondContact O-N 2.67Å; H992-V996 VanDerWaalsContact O-N 3.07Å; Q993-V996 PolarHBondContact O-N 2.88Å; V996-W999 PolarHBondContact O-N 3.29Å; V996-L1000 HydrophobicContact CG2-CD1 3.99Å; V996-L1000 HydrophobicContact CG2-CG 4.07Å; V996-L1000 WeakPolarHBondContact O-CB 3.06Å; V996-L1000 VanDerWaalsContact O-CG 3.24Å; V996-L1000 WeakPolarHBondContact O-CG 3.47Å; V996-L1000 PolarHBondContact O-N 3.4Å |
| 997 | D | 95.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 173.3 | -70.7 | 3.3 | 0 | 0 | 0 | 110.1 | I908 R983 Q993 W999 L1000 L1001 | I908-D997 WeakPolarHBondContact CG2-OD1 3.41Å; R983-D997 WeakPolarHBondContact CD-OD1 3.01Å; R983-D997 IonicContact CZ-OD1 2.82Å; R983-D997 IonicContact CZ-OD2 3.19Å; R983-D997 IonicContact NE-OD1 3.36Å; R983-D997 PolarHBondContact NE-OD1 3.31Å; R983-D997 IonicContact NE-OD2 2.77Å; R983-D997 PolarHBondContact NE-OD2 2.93Å; R983-D997 IonicContact NH2-OD1 2.67Å; R983-D997 PolarHBondContact NH2-OD1 3.09Å; R983-D997 IonicContact NH2-OD2 2.74Å; R983-D997 PolarHBondContact NH2-OD2 2.76Å; Q993-D997 VanDerWaalsContact O-CB 3.29Å; Q993-D997 WeakPolarHBondContact O-CB 3.44Å; Q993-D997 PolarHBondContact O-N 3.23Å; D997-W999 VanDerWaalsContact C-N 3.27Å; D997-W999 PolarHBondContact O-N 3.44Å; D997-L1000 PolarHBondContact O-N 3.46Å; D997-L1001 WeakPolarHBondContact O-CB 3.07Å; D997-L1001 VanDerWaalsContact O-CG 3.27Å; D997-L1001 WeakPolarHBondContact O-CG 3.45Å; D997-L1001 PolarHBondContact O-N 3Å |
| 998 | Q | 95.6 | Very high | 94.2 | Very high | 126 Ų | 126 | 53.2 Ų | 53.2 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.4 | -33.5 | 176 | -176.4 | 59 | 96.8 | 0 | 0 | 112.8 | L994 | L994-Q998 WeakPolarHBondContact O-CB 3.2Å; L994-Q998 PolarHBondContact O-N 3.02Å |
| 999 | W | 95.1 | Very high | 94.3 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 37% | 0.367 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.7 | -50.4 | 172.3 | 174.2 | -86.5 | 0 | 0 | 0 | 111.9 | I971 C995 V996 D997 L1001 T1002 N1003 K1005 P1007 | I971-W999 HydrophobicContact CD1-CB 4.33Å; C995-W999 PolarHBondContact O-N 2.92Å; V996-W999 PolarHBondContact O-N 3.29Å; D997-W999 VanDerWaalsContact C-N 3.27Å; D997-W999 PolarHBondContact O-N 3.44Å; W999-L1001 VanDerWaalsContact C-N 3.31Å; W999-L1001 PolarHBondContact O-N 3.22Å; W999-T1002 CarbonylContact O-C 3.52Å; W999-T1002 WeakPolarHBondContact O-CA 3.19Å; W999-T1002 WeakPolarHBondContact O-CB 3.48Å; W999-T1002 PolarHBondContact O-N 2.93Å; W999-N1003 HydrophobicContact CZ2-CB 4.5Å; W999-N1003 PolarHBondContact NE1-O 2.77Å; W999-N1003 PolarHBondContact O-N 3.32Å; W999-K1005 PolarHBondContact NE1-O 2.79Å; W999-P1007 HydrophobicContact CD2-CG 4.03Å; W999-P1007 HydrophobicContact CG-CG 3.95Å; W999-P1007 HydrophobicContact CZ2-CB 4.47Å |
| 1000 | L | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -33.2 | -174.7 | -70.7 | 172.8 | 0 | 0 | 0 | 112.6 | G902 A903 I908 T912 L985 V996 D997 T1002 N1003 I1013 | G902-L1000 CarbonylContact C-O 3.37Å; G902-L1000 WeakPolarHBondContact CA-O 3.44Å; A903-L1000 PolarHBondContact N-O 2.63Å; I908-L1000 HydrophobicContact CD1-CB 3.63Å; I908-L1000 HydrophobicContact CG1-CB 3.79Å; I908-L1000 HydrophobicContact CG1-CD1 4.19Å; I908-L1000 HydrophobicContact CG2-CD1 3.93Å; T912-L1000 HydrophobicContact CG2-CD1 4.18Å; L985-L1000 HydrophobicContact CD2-CD1 3.89Å; V996-L1000 HydrophobicContact CG2-CD1 3.99Å; V996-L1000 HydrophobicContact CG2-CG 4.07Å; V996-L1000 WeakPolarHBondContact O-CB 3.06Å; V996-L1000 VanDerWaalsContact O-CG 3.24Å; V996-L1000 WeakPolarHBondContact O-CG 3.47Å; V996-L1000 PolarHBondContact O-N 3.4Å; D997-L1000 PolarHBondContact O-N 3.46Å; L1000-T1002 PolarHBondContact O-N 2.85Å; L1000-T1002 VanDerWaalsContact O-N 3.13Å; L1000-N1003 WeakPolarHBondContact CA-O 3.41Å; L1000-N1003 CarbonylContact O-C 3.44Å; L1000-N1003 PolarHBondContact O-N 3.28Å; L1000-I1013 HydrophobicContact CD1-CD1 4.08Å; L1000-I1013 HydrophobicContact CD1-CG2 4.29Å; L1000-I1013 HydrophobicContact CD2-CD1 4.19Å; L1000-I1013 HydrophobicContact CD2-CG2 3.69Å |
| 1001 | L | 93 | Very high | 94.1 | Very high | 81 Ų | 81 | 57.5 Ų | 57.5 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.6 | 169.5 | -73.3 | 170.9 | 0 | 0 | 0 | 113.5 | I908 D997 W999 | I908-L1001 HydrophobicContact CD1-CD2 4.02Å; I908-L1001 HydrophobicContact CD1-CG 3.91Å; D997-L1001 WeakPolarHBondContact O-CB 3.07Å; D997-L1001 VanDerWaalsContact O-CG 3.27Å; D997-L1001 WeakPolarHBondContact O-CG 3.45Å; D997-L1001 PolarHBondContact O-N 3Å; W999-L1001 VanDerWaalsContact C-N 3.31Å; W999-L1001 PolarHBondContact O-N 3.22Å |
| 1002 | T | 91.7 | Very high | 94 | Very high | 80 Ų | 80 | 58.9 Ų | 58.9 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -33.5 | 175 | -48.5 | 0 | 0 | 0 | 0 | 112.5 | N900 W999 L1000 | N900-T1002 CarbonylContact C-O 3.57Å; N900-T1002 WeakPolarHBondContact CA-O 3.26Å; N900-T1002 WeakPolarHBondContact CB-O 3.01Å; N900-T1002 VanDerWaalsContact O-O 3.08Å; W999-T1002 CarbonylContact O-C 3.52Å; W999-T1002 WeakPolarHBondContact O-CA 3.19Å; W999-T1002 WeakPolarHBondContact O-CB 3.48Å; W999-T1002 PolarHBondContact O-N 2.93Å; L1000-T1002 PolarHBondContact O-N 2.85Å; L1000-T1002 VanDerWaalsContact O-N 3.13Å |
| 1003 | N | 91.9 | Very high | 93.8 | Very high | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | | | trans | -150.5 | 109.7 | -175.6 | -178.9 | -3.1 | 0 | 0 | 0 | 110.7 | W999 L1000 K1005 | W999-N1003 HydrophobicContact CZ2-CB 4.5Å; W999-N1003 PolarHBondContact NE1-O 2.77Å; W999-N1003 PolarHBondContact O-N 3.32Å; L1000-N1003 WeakPolarHBondContact CA-O 3.41Å; L1000-N1003 CarbonylContact O-C 3.44Å; L1000-N1003 PolarHBondContact O-N 3.28Å; N1003-K1005 PolarHBondContact O-N 3.15Å; N1003-K1005 WeakPolarHBondContact OD1-CB 3.43Å; N1003-K1005 PolarHBondContact OD1-N 3.31Å |
| 1004 | K | 92.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 59 Ų | 59 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -68.4 | 10.1 | -176.7 | 68.3 | -167.1 | -160.2 | 83.6 | 0 | 115.9 | A903 D1012 I1013 E1014 | A903-K1004 HydrophobicContact CB-CB 3.86Å; K1004-D1012 VanDerWaalsContact CE-OD2 3.3Å; K1004-D1012 WeakPolarHBondContact CE-OD2 3.28Å; K1004-D1012 IonicContact NZ-OD1 3.36Å; K1004-D1012 PolarHBondContact NZ-OD1 2.86Å; K1004-D1012 IonicContact NZ-OD2 2.71Å; K1004-D1012 PolarHBondContact NZ-OD2 3.21Å; K1004-I1013 PolarHBondContact O-N 2.68Å; K1004-E1014 IonicContact NZ-OE2 2.98Å; K1004-E1014 PolarHBondContact NZ-OE2 3.27Å |
| 1005 | K | 93.3 | Very high | 92.8 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 39% | 0.391 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -104.5 | 139.9 | 177.9 | -62.8 | -178.4 | 177.9 | -172.1 | 0 | 111.7 | W999 N1003 R1010 V1011 D1012 | W999-K1005 PolarHBondContact NE1-O 2.79Å; N1003-K1005 PolarHBondContact O-N 3.15Å; N1003-K1005 WeakPolarHBondContact OD1-CB 3.43Å; N1003-K1005 PolarHBondContact OD1-N 3.31Å; K1005-R1010 WeakPolarHBondContact CB-O 3.32Å; K1005-R1010 WeakPolarHBondContact CD-O 3.2Å; K1005-V1011 CarbonylContact C-O 3.58Å; K1005-V1011 WeakPolarHBondContact CA-O 3.24Å; K1005-D1012 HydrophobicContact CG-CB 4.3Å |
| 1006 | C | 94.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | | | trans | -52.7 | 132.3 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 112 | L985 I1008 C1009 R1010 V1011 | L985-C1006 HydrophobicContact CD1-CB 3.69Å; C1006-I1008 PolarHBondContact O-N 2.81Å; C1006-I1008 VanDerWaalsContact O-N 3.17Å; C1006-I1008 PolarHBondContact SG-N 3.15Å; C1006-I1008 VanDerWaalsContact SG-N 3.39Å; C1006-C1009 VanDerWaalsContact SG-SG 3.6Å; C1006-R1010 WeakPolarHBondContact O-CA 3.37Å; C1006-R1010 PolarHBondContact O-N 3.27Å; C1006-V1011 PolarHBondContact N-O 2.77Å |
| 1007 | P | 93.5 | Very high | 90 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.9 | 176.5 | -24.6 | 30.3 | 0 | 0 | 0 | 114.7 | I971 F991 W999 | I971-P1007 HydrophobicContact CD1-CG 3.91Å; I971-P1007 HydrophobicContact CG1-CB 4.4Å; I971-P1007 HydrophobicContact CG1-CG 4.03Å; F991-P1007 HydrophobicContact CE1-CB 4.05Å; F991-P1007 HydrophobicContact CE1-CG 3.84Å; F991-P1007 HydrophobicContact CZ-CB 4.21Å; F991-P1007 HydrophobicContact CZ-CG 3.88Å; W999-P1007 HydrophobicContact CD2-CG 4.03Å; W999-P1007 HydrophobicContact CG-CG 3.95Å; W999-P1007 HydrophobicContact CZ2-CB 4.47Å |
| 1008 | I | 92.7 | Very high | 88.1 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -68.9 | -173.5 | -60.1 | 168.5 | 0 | 0 | 0 | 110.5 | T970 H989 F991 C1006 | T970-I1008 HydrophobicContact CG2-CD1 3.73Å; T970-I1008 HydrophobicContact CG2-CG1 4.17Å; T970-I1008 WeakPolarHBondContact OG1-CG1 3.31Å; H989-I1008 HydrophobicContact CB-CD1 4.29Å; H989-I1008 VanDerWaalsContact CD2-CD1 3.49Å; H989-I1008 WeakPolarHBondContact CD2-CD1 3.48Å; H989-I1008 WeakPolarHBondContact NE2-CG2 3.49Å; F991-I1008 HydrophobicContact CE1-CD1 3.68Å; F991-I1008 HydrophobicContact CE1-CG1 3.98Å; F991-I1008 HydrophobicContact CZ-CD1 3.59Å; F991-I1008 HydrophobicContact CZ-CG1 3.88Å; C1006-I1008 PolarHBondContact O-N 2.81Å; C1006-I1008 VanDerWaalsContact O-N 3.17Å; C1006-I1008 PolarHBondContact SG-N 3.15Å; C1006-I1008 VanDerWaalsContact SG-N 3.39Å |
| 1009 | C | 93.3 | Very high | 86.2 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -5 | -174.2 | 66.8 | 0 | 0 | 0 | 0 | 115.1 | C987 H989 C1006 V1011 | C987-C1009 PolarHBondContact SG-SG 3.18Å; H989-C1009 VanDerWaalsContact CE1-SG 3.6Å; C1006-C1009 VanDerWaalsContact SG-SG 3.6Å; C1009-V1011 HydrophobicContact CB-CG2 4.33Å; C1009-V1011 PolarHBondContact O-N 3.46Å |
| 1010 | R | 92.5 | Very high | 83.9 | Confident | 159 Ų | 159 | 66 Ų | 66 | 60% | 0.6 | 36% | 0.359 | S | S | * | . | | | trans | 59 | 9.2 | -178.7 | -50.9 | 178.1 | -177.9 | 176.4 | -0.1 | 116.3 | H781 K1005 C1006 | H781-R1010 PolarHBondContact NE2-NH1 3.02Å; K1005-R1010 WeakPolarHBondContact CB-O 3.32Å; K1005-R1010 WeakPolarHBondContact CD-O 3.2Å; C1006-R1010 WeakPolarHBondContact O-CA 3.37Å; C1006-R1010 PolarHBondContact O-N 3.27Å |
| 1011 | V | 91.9 | Very high | 81.2 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 34% | 0.339 | 41% | 0.412 | S | S | . | . | | | trans | -63.3 | 137.3 | 168.4 | 178.5 | 0 | 0 | 0 | 0 | 109 | C987 K1005 C1006 C1009 | C987-V1011 HydrophobicContact CB-CB 4.28Å; C987-V1011 HydrophobicContact CB-CG1 4.47Å; K1005-V1011 CarbonylContact C-O 3.58Å; K1005-V1011 WeakPolarHBondContact CA-O 3.24Å; C1006-V1011 PolarHBondContact N-O 2.77Å; C1009-V1011 HydrophobicContact CB-CG2 4.33Å; C1009-V1011 PolarHBondContact O-N 3.46Å |
| 1012 | D | 92.5 | Very high | 80.6 | Confident | 30 Ų | 30 | 73.3 Ų | 73.3 | 16% | 0.16 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 134.9 | 177.8 | -159 | -57.7 | 0 | 0 | 0 | 110.4 | K1004 K1005 E1014 A1015 | K1004-D1012 VanDerWaalsContact CE-OD2 3.3Å; K1004-D1012 WeakPolarHBondContact CE-OD2 3.28Å; K1004-D1012 IonicContact NZ-OD1 3.36Å; K1004-D1012 PolarHBondContact NZ-OD1 2.86Å; K1004-D1012 IonicContact NZ-OD2 2.71Å; K1004-D1012 PolarHBondContact NZ-OD2 3.21Å; K1005-D1012 HydrophobicContact CG-CB 4.3Å; D1012-E1014 PolarHBondContact O-N 2.82Å; D1012-E1014 PolarHBondContact OD1-N 2.91Å; D1012-A1015 HydrophobicContact CB-CB 3.98Å; D1012-A1015 PolarHBondContact O-N 3.15Å |
| 1013 | I | 92.1 | Very high | 80 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -24 | -176.7 | 67.8 | 175.8 | 0 | 0 | 0 | 112.8 | A903 T907 I908 C911 T912 L985 L1000 K1004 | A903-I1013 HydrophobicContact CB-CD1 3.69Å; T907-I1013 HydrophobicContact CG2-CD1 4.22Å; I908-I1013 HydrophobicContact CG1-CD1 4.37Å; C911-I1013 HydrophobicContact CB-CB 4.11Å; C911-I1013 HydrophobicContact CB-CD1 3.98Å; C911-I1013 HydrophobicContact CB-CG1 3.99Å; T912-I1013 HydrophobicContact CG2-CD1 4.38Å; T912-I1013 HydrophobicContact CG2-CG2 4.42Å; L985-I1013 HydrophobicContact CD1-CG2 4.43Å; L985-I1013 HydrophobicContact CD2-CG2 4.26Å; L1000-I1013 HydrophobicContact CD1-CD1 4.08Å; L1000-I1013 HydrophobicContact CD1-CG2 4.29Å; L1000-I1013 HydrophobicContact CD2-CD1 4.19Å; L1000-I1013 HydrophobicContact CD2-CG2 3.69Å; K1004-I1013 PolarHBondContact O-N 2.68Å |
| 1014 | E | 88.9 | Confident | 79.4 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 33% | 0.327 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -23.8 | 178.9 | -63.8 | 177.2 | 141.6 | 0 | 0 | 111.9 | T907 K1004 D1012 Q1016 L1017 | T907-E1014 HydrophobicContact CG2-CG 3.72Å; T907-E1014 WeakPolarHBondContact CG2-OE1 3.34Å; K1004-E1014 IonicContact NZ-OE2 2.98Å; K1004-E1014 PolarHBondContact NZ-OE2 3.27Å; D1012-E1014 PolarHBondContact O-N 2.82Å; D1012-E1014 PolarHBondContact OD1-N 2.91Å; E1014-Q1016 VanDerWaalsContact C-N 3.28Å; E1014-Q1016 PolarHBondContact O-N 3.1Å; E1014-L1017 PolarHBondContact O-N 3.36Å |
| 1015 | A | 82.4 | Confident | 78.6 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 48% | 0.479 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1012 | D1012-A1015 HydrophobicContact CB-CB 3.98Å; D1012-A1015 PolarHBondContact O-N 3.15Å |
| 1016 | Q | 66.5 | Low | 77.7 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 38% | 0.383 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -27.3 | 174.5 | -70.5 | -169.8 | -30.6 | 0 | 0 | 112.9 | P986 E1014 S1018 A1019 | P986-Q1016 HydrophobicContact CB-CB 4.01Å; P986-Q1016 HydrophobicContact CB-CG 4.39Å; P986-Q1016 PolarHBondContact O-OE1 3Å; E1014-Q1016 VanDerWaalsContact C-N 3.28Å; E1014-Q1016 PolarHBondContact O-N 3.1Å; Q1016-S1018 VanDerWaalsContact C-N 3.25Å; Q1016-S1018 PolarHBondContact O-N 3.16Å; Q1016-A1019 PolarHBondContact O-N 3.05Å |
| 1017 | L | 64.8 | Low | 76.5 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -68.5 | -25.8 | 174.2 | -63.3 | -174.3 | 0 | 0 | 0 | 112.6 | C911 E1014 A1019 | C911-L1017 HydrophobicContact CB-CD1 4.2Å; C911-L1017 WeakPolarHBondContact SG-CD1 3.33Å; E1014-L1017 PolarHBondContact O-N 3.36Å; L1017-A1019 PolarHBondContact O-N 3.42Å |
| 1018 | S | 56.3 | Low | 75.3 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -78 | 3.4 | 176.5 | -51.1 | 0 | 0 | 0 | 0 | 114.6 | Q1016 | Q1016-S1018 VanDerWaalsContact C-N 3.25Å; Q1016-S1018 PolarHBondContact O-N 3.16Å |
| 1019 | A | 55.7 | Low | 74 | Confident | 83 Ų | 83 | 83.6 Ų | 83.6 | 69% | 0.686 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -100.4 | -9.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1016 L1017 | Q1016-A1019 PolarHBondContact O-N 3.05Å; L1017-A1019 PolarHBondContact O-N 3.42Å |
| 1020 | E | 46.1 | Very low | 72.4 | Confident | 172 Ų | 172 | 86.4 Ų | 86.4 | 80% | 0.804 | 49% | 0.494 | S | S | * | . | | | trans | -122.1 | 22 | -172.8 | -62.8 | 178.7 | 108.2 | 0 | 0 | 112.3 | | |
| 1021 | S | 39 | Very low | 70.6 | Confident | 160 Ų | 160 | 79.8 Ų | 79.8 | 100% | 1.119 | 49% | 0.485 | S | S | * | . | | | trans | -122.3 | 0 | -176.6 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | | |