| 1 | M | 31.9 | Very low | 40.4 | Very low | 223 Ų | 223 | 128 Ų | 128 | 100% | 1.099 | 82% | 0.815 | S | S | * | * | | | | 0 | 138.8 | 0 | -74.9 | -61.3 | -169.8 | 0 | 0 | 108.1 | | |
| 2 | P | 56.9 | Low | 39.9 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | | | cis | -93.5 | 148.8 | -15.1 | -6.4 | 29.4 | 0 | 0 | 0 | 112.1 | | |
| 3 | I | 38.1 | Very low | 39.6 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | | | | 75.6 | 116.7 | 86.1 | -65.1 | 173.8 | 0 | 0 | 0 | 111.7 | | |
| 4 | A | 40.2 | Very low | 39.9 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 69% | 0.686 | 82% | 0.821 | S | S | * | * | | | | 80.8 | 151.5 | 51.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 5 | T | 41.2 | Very low | 39.6 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 80% | 0.798 | 83% | 0.829 | S | S | * | * | | | cis | -167.2 | 158.4 | -4.6 | -111.6 | 0 | 0 | 0 | 0 | 112 | | |
| 6 | A | 37 | Very low | 39.5 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | | | trans | 64.2 | 152.9 | 158 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 7 | G | 35.6 | Very low | 38.9 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | 171.8 | 93.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 8 | Q | 38.1 | Very low | 39.3 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | | | trans | -92.8 | 166.1 | -176.9 | -95.1 | -91.6 | -51.8 | 0 | 0 | 112.1 | | |
| 9 | P | 49.9 | Very low | 39.2 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 68% | 0.682 | 83% | 0.826 | S | S | * | * | | | trans | -91.8 | 169.7 | -153.7 | 37.2 | -38 | 0 | 0 | 0 | 115.1 | | |
| 10 | A | 37.8 | Very low | 39 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | | | trans | -114.4 | 129.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 11 | T | 37.5 | Very low | 39 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | | | trans | -95.2 | 143.6 | 173.8 | 41.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 12 | Q | 34.3 | Very low | 39.1 | Very low | 205 Ų | 205 | 138.4 Ų | 138.4 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | | | trans | -159.1 | 156.7 | 148.3 | -123.3 | 162.3 | 94.1 | 0 | 0 | 112.2 | | |
| 13 | E | 35.9 | Very low | 38.2 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 163.5 | -161.4 | -92.1 | -159.3 | 114.4 | 0 | 0 | 115.6 | | |
| 14 | P | 44.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 142 | -178.6 | 30.8 | -36.2 | 0 | 0 | 0 | 112.8 | | |
| 15 | R | 35.8 | Very low | 38.4 | Very low | 251 Ų | 251 | 143 Ų | 143 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 123 | 165.9 | -76.5 | -169.2 | 175.5 | -174.5 | -0 | 111.5 | | |
| 16 | V | 37.4 | Very low | 38.8 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 172.3 | 170.7 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 17 | C | 30.1 | Very low | 38.8 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | 101.9 | 147.3 | 165.1 | -60.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 18 | P | 46.1 | Very low | 39.5 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | cis | -134.9 | 172 | -38.3 | 37.1 | -22 | 0 | 0 | 0 | 113.4 | | |
| 19 | R | 36.9 | Very low | 39.4 | Very low | 246 Ų | 246 | 146 Ų | 146 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | | | trans | -115 | 117 | 179.4 | -179.7 | -172.4 | -175.4 | -171.9 | 3.3 | 110.7 | | |
| 20 | L | 34.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -140.9 | 165.7 | 175 | -85.1 | 171.9 | 0 | 0 | 0 | 110.3 | | |
| 21 | P | 40.1 | Very low | 38.3 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | | | trans | -132 | -157.6 | -135 | 45.3 | -30.6 | 0 | 0 | 0 | 116.2 | | |
| 22 | S | 32.7 | Very low | 38 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | 75.4 | 108.7 | 159.4 | 40.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 23 | T | 38.9 | Very low | 38 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | | 15.9 | 132.7 | 127.3 | 52.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 24 | P | 45.1 | Very low | 37.7 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | trans | -96.3 | 135.2 | 154.4 | 35.2 | -28.1 | 0 | 0 | 0 | 112.9 | | |
| 25 | E | 37 | Very low | 37 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | -112.9 | 161.5 | 158.6 | -108.4 | -101.6 | 108.1 | 0 | 0 | 108.2 | | |
| 26 | P | 50.4 | Low | 36.8 | Very low | 103 Ų | 103 | 139 Ų | 139 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | | | trans | -90.1 | 157.7 | -163.2 | 35.7 | -34.3 | 0 | 0 | 0 | 114.3 | | |
| 27 | V | 35.2 | Very low | 36.5 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | -116.2 | 129.5 | 169.8 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 28 | P | 51.9 | Low | 36.4 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | trans | -97.1 | 160.4 | -179.9 | 37.8 | -35.5 | 0 | 0 | 0 | 113.2 | | |
| 29 | K | 34.9 | Very low | 35.7 | Very low | 218 Ų | 218 | 134.9 Ų | 134.9 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | | | trans | 169.4 | 165.7 | 140.6 | -95 | 160.6 | -175.4 | -176.3 | 0 | 110.3 | | |
| 30 | G | 31.6 | Very low | 35.3 | Very low | 82 Ų | 82 | 127.1 Ų | 127.1 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | 121.7 | 51.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 31 | A | 34.2 | Very low | 35 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | -106.6 | 139.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 32 | D | 30.7 | Very low | 34.6 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -174.9 | 131 | 149.3 | -93.6 | -25.3 | 0 | 0 | 0 | 110.2 | | |
| 33 | L | 33.3 | Very low | 34.6 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | | | | 60.3 | 145.5 | 128.5 | -57.4 | 175.8 | 0 | 0 | 0 | 120.8 | | |
| 34 | F | 29.3 | Very low | 34.1 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 65% | 0.654 | 77% | 0.77 | S | S | * | * | | | cis | -162.2 | -167.4 | -18.9 | -166.4 | -112.4 | 0 | 0 | 0 | 108.4 | | |
| 35 | E | 30.3 | Very low | 33.6 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 65.2 | 122.6 | 176.4 | -84 | 135.1 | 92 | 0 | 0 | 116.6 | | |
| 36 | E | 31.7 | Very low | 33.4 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | cis | 93 | 152.6 | 25.7 | -159.1 | 164.3 | 126.7 | 0 | 0 | 114.8 | | |
| 37 | A | 32.1 | Very low | 32.4 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | trans | 66.6 | 137.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 38 | G | 26.7 | Very low | 32.3 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | | | cis | 149.4 | 151.9 | -7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 39 | A | 30.8 | Very low | 31.5 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | | | trans | 62.8 | 156.8 | 175 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 40 | A | 29.7 | Very low | 31.4 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | cis | -163.4 | -177.2 | -26.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 41 | E | 27.7 | Very low | 31.5 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | 72.3 | 123.9 | 160.7 | -68.3 | -144.9 | 64.3 | 0 | 0 | 117.4 | | |
| 42 | S | 32 | Very low | 31.4 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | | 95.6 | 141.4 | 57.4 | 94.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 43 | A | 32.1 | Very low | 31.4 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | cis | -157.5 | -174.2 | -14.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 44 | E | 30 | Very low | 31.4 | Very low | 154 Ų | 154 | 125 Ų | 125 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | 70.9 | 143.4 | 165.5 | -69.8 | -154.4 | 100 | 0 | 0 | 118.7 | | |
| 45 | R | 33.9 | Very low | 31.7 | Very low | 195 Ų | 195 | 130 Ų | 130 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | cis | -170.2 | 162.3 | -22.2 | -162.9 | 162.8 | 171.1 | 174.9 | 0.1 | 110.1 | | |
| 46 | T | 33.6 | Very low | 31.8 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | 64.4 | 142.9 | 158.9 | 26.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 47 | E | 29.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 122 Ų | 122 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | cis | -144.3 | 179.4 | -13 | -151.8 | 166 | 97.4 | 0 | 0 | 110.5 | | |
| 48 | Y | 33.2 | Very low | 31.9 | Very low | 213 Ų | 213 | 127.6 Ų | 127.6 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -68.8 | 166.6 | -165 | -30.8 | 138.8 | 0 | 0 | 0 | 113.3 | | |
| 49 | G | 33.3 | Very low | 32.1 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | cis | 130.7 | 139 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 50 | A | 33.4 | Very low | 32.2 | Very low | 109 Ų | 109 | 126 Ų | 126 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | | | trans | 63.7 | 163.1 | 170 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 51 | A | 35.1 | Very low | 32.2 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | | | cis | -168.8 | 157.7 | -34.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 52 | E | 31.6 | Very low | 32.4 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 95% | 0.953 | 78% | 0.778 | S | S | * | * | | | trans | 59.8 | 164.4 | 158.4 | -67.3 | 173.4 | 157.7 | 0 | 0 | 118 | | |
| 53 | G | 31.2 | Very low | 32.4 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | cis | 162.7 | 153.8 | -12.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 54 | G | 31.5 | Very low | 32.4 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | 113.6 | 104.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 55 | R | 35.4 | Very low | 32.5 | Very low | 253 Ų | 253 | 134.3 Ų | 134.3 | 96% | 0.955 | 78% | 0.781 | S | S | * | * | | | | 68.2 | 151.5 | 123.1 | -80.3 | -174.9 | 166 | -162.7 | -3.1 | 124.8 | | |
| 56 | A | 34 | Very low | 32.4 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | | | trans | 77.5 | 145.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 57 | G | 33.3 | Very low | 32.1 | Very low | 60 Ų | 60 | 128.5 Ų | 128.5 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | | | cis | 176.1 | -179.4 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 58 | F | 32.1 | Very low | 32.2 | Very low | 221 Ų | 221 | 125.9 Ų | 125.9 | 97% | 0.969 | 79% | 0.789 | S | S | * | * | | | trans | 71.1 | 143 | 177.1 | -53 | -81.8 | 0 | 0 | 0 | 117.9 | | |
| 59 | G | 30.5 | Very low | 32 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | cis | 165.9 | 147.6 | -13 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 60 | G | 32.7 | Very low | 31.8 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | trans | 82.9 | 147.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 61 | F | 29.3 | Very low | 31.5 | Very low | 214 Ų | 214 | 129.2 Ų | 129.2 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | | | cis | -147.1 | 161.6 | -3 | -81.8 | -86.2 | 0 | 0 | 0 | 111.4 | | |
| 62 | S | 34 | Very low | 31.3 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -134.5 | 162.6 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 63 | F | 31.3 | Very low | 31.2 | Very low | 204 Ų | 204 | 129.9 Ų | 129.9 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | 174.2 | 173.8 | 152.6 | -108.5 | -146.1 | 0 | 0 | 0 | 110.2 | | |
| 64 | S | 31.7 | Very low | 31.8 | Very low | 77 Ų | 77 | 132 Ų | 132 | 54% | 0.538 | 79% | 0.786 | S | S | . | * | | | cis | 163.1 | 152.7 | -29.7 | -87.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 65 | H | 31.1 | Very low | 31.6 | Very low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | cis | -160.4 | 163.7 | -10.1 | -147.2 | -91.8 | 0 | 0 | 0 | 109.8 | | |
| 66 | S | 32.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | 65.8 | 170.8 | 159.7 | -55.1 | 0 | 0 | 0 | 0 | 117 | | |
| 67 | G | 28.4 | Very low | 31.2 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | cis | -176.9 | 139.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 68 | A | 31 | Very low | 31.1 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | | 86.9 | 148.7 | 69.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 69 | L | 29.5 | Very low | 31 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | 78.9 | 152.3 | 178.6 | -49.2 | 176.2 | 0 | 0 | 0 | 116.9 | | |
| 70 | S | 28.4 | Very low | 30.9 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | cis | -179.6 | 160.1 | -32.9 | -97.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 71 | F | 26.9 | Very low | 32 | Very low | 199 Ų | 199 | 127.8 Ų | 127.8 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | | | trans | 68.8 | 148.3 | 155.1 | -90.1 | -140.3 | 0 | 0 | 0 | 117 | | |
| 72 | V | 30.3 | Very low | 33 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | | | cis | -145.6 | 164.8 | -8.2 | -157.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 73 | Q | 30.7 | Very low | 32.8 | Very low | 173 Ų | 173 | 124.7 Ų | 124.7 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -65 | -175.8 | 152.6 | -96.4 | -170.9 | -8.2 | 0 | 0 | 112.7 | | |
| 74 | P | 44.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | cis | -131.3 | -164.1 | 1.9 | 43.2 | -26.4 | 0 | 0 | 0 | 113.7 | | |
| 75 | G | 27.2 | Very low | 33.6 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 137.2 | 117 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 76 | S | 30.6 | Very low | 33.6 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -112.2 | 166.3 | -178.2 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 77 | T | 29.7 | Very low | 33.7 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | | | trans | 108.6 | 137.5 | 148.9 | 72.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 78 | S | 30.3 | Very low | 33.7 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | 76.1 | 153.2 | 149.6 | 78 | 0 | 0 | 0 | 0 | 120.4 | | |
| 79 | G | 29.7 | Very low | 33.7 | Very low | 79 Ų | 79 | 120.2 Ų | 120.2 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | | | trans | 126.7 | 61.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 80 | S | 29.8 | Very low | 33.8 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -95.7 | 167.9 | 154.1 | -45.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 81 | P | 55.2 | Low | 34 | Very low | 120 Ų | 120 | 118.2 Ų | 118.2 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | cis | -122.3 | -131.2 | -23.6 | 33.9 | -10.4 | 0 | 0 | 0 | 107.9 | | |
| 82 | P | 49.9 | Very low | 34.3 | Very low | 89 Ų | 89 | 113.1 Ų | 113.1 | 58% | 0.578 | 76% | 0.761 | S | S | * | * | | | cis | -136.4 | 176.9 | -26.7 | 39.1 | -20.3 | 0 | 0 | 0 | 117.2 | | |
| 83 | Q | 31.4 | Very low | 34.3 | Very low | 172 Ų | 172 | 115.9 Ų | 115.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | 66.4 | 117.2 | 144 | -77.2 | 168.6 | 101 | 0 | 0 | 123.9 | | |
| 84 | S | 31.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | | -1.4 | 157.9 | 126.7 | 58.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 85 | P | 47.7 | Very low | 33.8 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | | | cis | -157.5 | -163.1 | 45.4 | 45.1 | -22.5 | 0 | 0 | 0 | 119.1 | | |
| 86 | T | 31.9 | Very low | 34 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | 68.1 | 134.8 | 162.3 | 47.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 87 | A | 32.7 | Very low | 34.1 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | cis | 84.7 | 135.5 | 33.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 88 | A | 29 | Very low | 34.3 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | | | cis | -166.8 | 173.8 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 89 | S | 31.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | 70.2 | 148.1 | 158.5 | -59.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 90 | S | 31.4 | Very low | 35.5 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | cis | -161.8 | 148.3 | -5.4 | -103.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 91 | S | 34 | Very low | 35.7 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | 51.5 | 127 | 151.2 | -166.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 92 | S | 32 | Very low | 34.6 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | | 171.1 | 138.1 | 101.7 | -71.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 93 | F | 29.7 | Very low | 33.7 | Very low | 184 Ų | 184 | 139 Ų | 139 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | 54.2 | 121.7 | 155.3 | -59.7 | -59.4 | 0 | 0 | 0 | 125.4 | | |
| 94 | L | 32.7 | Very low | 33.7 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 55.8 | 114 | 130.7 | -58.6 | 172 | 0 | 0 | 0 | 122.1 | | |
| 95 | L | 32.3 | Very low | 34 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | | -175.4 | 159 | 95.2 | -97.1 | 171.3 | 0 | 0 | 0 | 111.4 | | |
| 96 | H | 30.8 | Very low | 33.5 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | | | trans | -134 | 137.8 | 178 | -158.2 | -67.5 | 0 | 0 | 0 | 109.6 | | |
| 97 | L | 33.6 | Very low | 34.5 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -107.8 | 161.4 | -174.1 | -136.9 | 71.2 | 0 | 0 | 0 | 112.7 | | |
| 98 | S | 32.7 | Very low | 35.2 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -126.3 | 165.6 | -168.6 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 99 | H | 37.4 | Very low | 35.9 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | | | trans | -79.6 | 168.5 | 178.7 | -66 | 53.9 | 0 | 0 | 0 | 111.9 | | |
| 100 | P | 49.5 | Very low | 36.3 | Very low | 112 Ų | 112 | 150.8 Ų | 150.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | | -150.3 | 150 | 106.2 | 32.8 | -13.8 | 0 | 0 | 0 | 119.1 | | |
| 101 | H | 33 | Very low | 36.4 | Very low | 191 Ų | 191 | 156.5 Ų | 156.5 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | | | trans | 66.3 | 151.1 | 145.5 | -73.7 | -63.9 | 0 | 0 | 0 | 124.8 | | |
| 102 | Q | 33.1 | Very low | 36.3 | Very low | 185 Ų | 185 | 156.2 Ų | 156.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | -115.9 | 168.9 | 178.4 | -60.1 | 175.8 | -3.8 | 0 | 0 | 110.4 | | |
| 103 | M | 30 | Very low | 36.4 | Very low | 190 Ų | 190 | 162.6 Ų | 162.6 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | | | trans | -134.5 | 146.1 | 161.7 | -70.2 | -168.1 | 173.9 | 0 | 0 | 111.8 | | |
| 104 | T | 32 | Very low | 36.6 | Very low | 143 Ų | 143 | 159.1 Ų | 159.1 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | | | trans | -88.1 | 146.2 | -178.6 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 105 | M | 36.4 | Very low | 36.7 | Very low | 176 Ų | 176 | 163.5 Ų | 163.5 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | | | trans | -112.6 | 133.8 | 179.8 | -69.5 | -73.4 | -75.5 | 0 | 0 | 112.2 | | |
| 106 | E | 38.4 | Very low | 36.8 | Very low | 138 Ų | 138 | 160.2 Ų | 160.2 | 65% | 0.645 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 141.2 | 175.2 | -172.5 | -179.7 | 133.5 | 0 | 0 | 111.2 | R109 | E106-R109 IonicContact OE1-CZ 3.21Å; E106-R109 IonicContact OE1-NH1 2.83Å; E106-R109 PolarHBondContact OE1-NH1 3.49Å; E106-R109 IonicContact OE1-NH2 2.71Å |
| 107 | P | 51.9 | Low | 36.8 | Very low | 106 Ų | 106 | 155.2 Ų | 155.2 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 149.4 | 176.4 | 29.7 | -35.2 | 0 | 0 | 0 | 112.8 | | |
| 108 | P | 48.7 | Very low | 36.8 | Very low | 129 Ų | 129 | 157.8 Ų | 157.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 135.4 | -167.6 | 29.4 | -35.6 | 0 | 0 | 0 | 114.3 | | |
| 109 | R | 42.8 | Very low | 36.6 | Very low | 207 Ų | 207 | 162.8 Ų | 162.8 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 141.4 | 170.2 | -72.6 | 176.1 | 174.9 | 68.3 | 3.9 | 111.7 | E106 R111 | E106-R109 IonicContact OE1-CZ 3.21Å; E106-R109 IonicContact OE1-NH1 2.83Å; E106-R109 PolarHBondContact OE1-NH1 3.49Å; E106-R109 IonicContact OE1-NH2 2.71Å; R109-R111 PolarHBondContact O-N 3.2Å |
| 110 | T | 39.5 | Very low | 36.3 | Very low | 145 Ų | 145 | 161.7 Ų | 161.7 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 126 | 173.7 | 43.3 | 0 | 0 | 0 | 0 | 111.4 | S112 | T110-S112 PolarHBondContact O-N 2.73Š|
| 111 | R | 33.9 | Very low | 35.3 | Very low | 228 Ų | 228 | 165 Ų | 165 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -76.4 | 109.5 | -176.7 | 178.2 | -177.9 | -177 | -177 | 5.3 | 111.3 | R109 | R109-R111 PolarHBondContact O-N 3.2Š|
| 112 | S | 31.9 | Very low | 35.1 | Very low | 103 Ų | 103 | 165.9 Ų | 165.9 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | -62.4 | 147.8 | 162.6 | 63.8 | 0 | 0 | 0 | 0 | 110 | T110 | T110-S112 PolarHBondContact O-N 2.73Š|
| 113 | R | 34.4 | Very low | 35.1 | Very low | 225 Ų | 225 | 160.2 Ų | 160.2 | 85% | 0.849 | 80% | 0.804 | S | S | * | * | | | trans | -126.4 | 61 | -168.9 | -160.2 | -177.5 | -178 | -147.6 | 0.3 | 112.3 | R115 | R113-R115 PolarHBondContact O-N 3.27Š|
| 114 | S | 34.2 | Very low | 35.2 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -52.3 | 126.3 | 171.3 | -50.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 115 | R | 33.3 | Very low | 35 | Very low | 243 Ų | 243 | 154.8 Ų | 154.8 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | | | trans | -121 | 67 | -174.2 | -171.7 | -165.4 | 171.1 | -148.1 | -3.1 | 110.5 | R113 G117 | R113-R115 PolarHBondContact O-N 3.27Å; R115-G117 PolarHBondContact O-N 3.35Å |
| 116 | S | 34.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 151.4 Ų | 151.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | trans | -81.1 | 107.7 | 165.6 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | Y118 | S116-Y118 PolarHBondContact O-N 3.41Š|
| 117 | G | 32.3 | Very low | 34.4 | Very low | 75 Ų | 75 | 152.1 Ų | 152.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -82.2 | 106.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | R115 Y119 | R115-G117 PolarHBondContact O-N 3.35Å; G117-Y119 PolarHBondContact O-N 3.32Å |
| 118 | Y | 32.1 | Very low | 33.5 | Very low | 217 Ų | 217 | 153.4 Ų | 153.4 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.7 | 168.6 | -100.5 | -95.4 | 0 | 0 | 0 | 109.8 | S116 | S116-Y118 PolarHBondContact O-N 3.41Š|
| 119 | Y | 29.8 | Very low | 32.9 | Very low | 213 Ų | 213 | 153.5 Ų | 153.5 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 126.8 | 162.8 | -149.6 | -92 | 0 | 0 | 0 | 107.7 | G117 | G117-Y119 PolarHBondContact O-N 3.32Š|
| 120 | Q | 29.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 133.8 | 174.8 | -76.1 | -178.7 | -30.5 | 0 | 0 | 109.8 | | |
| 121 | Q | 28.2 | Very low | 32 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | -134.5 | 128.4 | 164.6 | -171 | 160.8 | -14.3 | 0 | 0 | 109.3 | | |
| 122 | Y | 30.3 | Very low | 31.8 | Very low | 209 Ų | 209 | 140.8 Ų | 140.8 | 82% | 0.82 | 78% | 0.779 | S | S | * | * | | | trans | -89.6 | 144.3 | -179 | -81.7 | -99 | 0 | 0 | 0 | 111.3 | | |
| 123 | G | 31.3 | Very low | 31.8 | Very low | 65 Ų | 65 | 141.9 Ų | 141.9 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | -179.6 | 87 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 124 | V | 32.9 | Very low | 31.6 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 93% | 0.927 | 78% | 0.776 | S | S | * | * | | | | 49.5 | 91.6 | 91.4 | -174 | 0 | 0 | 0 | 0 | 110.3 | | |
| 125 | G | 28.6 | Very low | 31.4 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | trans | -100.7 | 167.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 126 | S | 31.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -166.7 | 138.6 | 156.8 | -87.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 127 | N | 31.2 | Very low | 31.4 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | 66.6 | 157.6 | 150.9 | -58.7 | -18.3 | 0 | 0 | 0 | 119.3 | | |
| 128 | N | 32.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | cis | -164.2 | 168.8 | -40 | -161.5 | 0.6 | 0 | 0 | 0 | 107.7 | | |
| 129 | T | 34.9 | Very low | 31.5 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | | | trans | 65.4 | 134.7 | 167.6 | 64.9 | 0 | 0 | 0 | 0 | 117 | | |
| 130 | G | 31.5 | Very low | 31.9 | Very low | 64 Ų | 64 | 132.6 Ų | 132.6 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | | | cis | 167.6 | 179.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 131 | V | 33.6 | Very low | 32.3 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | 64.6 | 103.3 | 163.6 | -169.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 132 | T | 28.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | | | cis | 67.1 | 157.6 | 26 | 79.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 133 | V | 31.8 | Very low | 33.4 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | | | trans | 75.5 | 98 | -169.8 | -169.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 134 | S | 30.8 | Very low | 33.8 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | cis | 74.3 | 131.1 | 35.7 | -42.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 135 | S | 30.1 | Very low | 34 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | | | trans | -145.8 | 131.8 | 158.9 | -161.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 136 | H | 34.1 | Very low | 34.6 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | | | trans | -101.8 | 152.8 | -178.5 | -74.1 | -86.3 | 0 | 0 | 0 | 111.1 | | |
| 137 | H | 32.8 | Very low | 34.9 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 82% | 0.819 | 73% | 0.731 | S | S | * | * | | | trans | -165.9 | 165.5 | 135.3 | -110.4 | 62.1 | 0 | 0 | 0 | 111.2 | | |
| 138 | Q | 34.1 | Very low | 35.3 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 58% | 0.575 | 72% | 0.721 | S | S | * | * | | | | -166.5 | 135.7 | -56.9 | 177.7 | 155.3 | -28.6 | 0 | 0 | 109.8 | | |
| 139 | H | 33 | Very low | 35.6 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | | | trans | 65.4 | 170.7 | 168.4 | -66.4 | -6.6 | 0 | 0 | 0 | 115.8 | | |
| 140 | H | 37.1 | Very low | 35.6 | Very low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | | | cis | -153.1 | 160 | 24.9 | -127.9 | -78.2 | 0 | 0 | 0 | 114.2 | | |
| 141 | H | 38.9 | Very low | 35.7 | Very low | 150 Ų | 150 | 140 Ų | 140 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | | | trans | 67.4 | 152.3 | 157 | -71.9 | -54.1 | 0 | 0 | 0 | 120.6 | | |
| 142 | H | 40.5 | Very low | 35.5 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 65% | 0.648 | 70% | 0.699 | S | S | * | * | | | cis | -171.7 | 144.3 | -29.5 | -145.6 | -132.5 | 0 | 0 | 0 | 112.1 | | |
| 143 | H | 41.8 | Very low | 35.5 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | | | trans | 59 | 158.8 | 144.8 | -91.1 | -145.2 | 0 | 0 | 0 | 121.6 | | |
| 144 | L | 38.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | | | cis | 174.1 | 146.2 | -6.4 | 171.7 | 77.5 | 0 | 0 | 0 | 107.9 | | |
| 145 | L | 37.9 | Very low | 35.2 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | | | cis | -122.4 | 170.2 | -17 | -86.4 | 177.2 | 0 | 0 | 0 | 106.8 | | |
| 146 | H | 40.7 | Very low | 35.2 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 80% | 0.801 | 68% | 0.682 | S | S | * | * | | | cis | 88.8 | 73.4 | 2.2 | -150 | -63 | 0 | 0 | 0 | 120.2 | | |
| 147 | Q | 38.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | | | trans | -139.7 | 149.3 | 165 | -108.6 | -171.4 | -1.9 | 0 | 0 | 110.9 | | |
| 148 | Q | 38.1 | Very low | 35 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 58% | 0.584 | 68% | 0.684 | S | S | * | * | | | cis | -153.8 | 135.3 | 0.3 | -166.9 | 148.6 | 19.1 | 0 | 0 | 113 | | |
| 149 | Q | 38.8 | Very low | 34.9 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | | | trans | 42.4 | 146.5 | 146 | -66.3 | -179.5 | -79.8 | 0 | 0 | 122.7 | | |
| 150 | Q | 36.4 | Very low | 34.9 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 62% | 0.617 | 70% | 0.704 | S | S | * | * | | | cis | 98.5 | 130.3 | 23.7 | 177.1 | -167.7 | 50.6 | 0 | 0 | 114.1 | | |
| 151 | Q | 32.3 | Very low | 35.4 | Very low | 147 Ų | 147 | 130 Ų | 130 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | | | trans | 66.1 | 162.4 | 163.8 | -77.6 | 168.3 | -11.6 | 0 | 0 | 116.8 | | |
| 152 | Q | 30.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 58% | 0.579 | 72% | 0.719 | S | S | * | * | | | cis | 179 | 138.5 | -21.4 | 166.2 | 172 | -12.5 | 0 | 0 | 108.1 | | |
| 153 | Q | 28.8 | Very low | 34.8 | Very low | 145 Ų | 145 | 128 Ų | 128 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | | | trans | 61.7 | 172.2 | 166.9 | -68.8 | 169.8 | 9.3 | 0 | 0 | 114.9 | | |
| 154 | Q | 29 | Very low | 34.5 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 59% | 0.593 | 73% | 0.725 | S | S | * | * | | | cis | -155.9 | 170.5 | -25.1 | -115.3 | 178.8 | 101 | 0 | 0 | 109 | | |
| 155 | H | 27.9 | Very low | 34.1 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | trans | 71.7 | 142.3 | 167.9 | -40.2 | -60.9 | 0 | 0 | 0 | 116.7 | | |
| 156 | G | 30.2 | Very low | 33.7 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | | | cis | 175.5 | 168.9 | -6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 157 | A | 32 | Very low | 33.2 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 93% | 0.926 | 72% | 0.724 | S | S | * | * | | | trans | 59.5 | 142 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 158 | G | 29 | Very low | 32.9 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | cis | 135.8 | 142.3 | 17.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 159 | C | 32.5 | Very low | 33.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 89% | 0.892 | 73% | 0.733 | S | S | * | * | | | cis | -145 | 162.3 | 12.4 | -64 | 0 | 0 | 0 | 0 | 111.1 | | |
| 160 | A | 33.3 | Very low | 33.3 | Very low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | | | trans | -92.2 | 163.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 161 | P | 48.2 | Very low | 33.1 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | | -145.2 | 162.3 | 72 | 36.1 | -17 | 0 | 0 | 0 | 116.9 | | |
| 162 | L | 36.6 | Very low | 33.2 | Very low | 177 Ų | 177 | 126 Ų | 126 | 93% | 0.927 | 75% | 0.748 | S | S | * | * | | | trans | 34.1 | 130.5 | 143.7 | -55 | 171.6 | 0 | 0 | 0 | 120.5 | | |
| 163 | G | 30.3 | Very low | 33.2 | Very low | 72 Ų | 72 | 127.1 Ų | 127.1 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | | | cis | 157.1 | -159.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 164 | A | 33.8 | Very low | 33.1 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | | | trans | 93.8 | 134.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 165 | H | 31.3 | Very low | 33.3 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | trans | 68.7 | 140.8 | 165.7 | -52.5 | -56.3 | 0 | 0 | 0 | 118.7 | | |
| 166 | S | 29.8 | Very low | 34.1 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | | | cis | -172.4 | 159.8 | -13.6 | -88.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 167 | N | 29.2 | Very low | 34 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | cis | -165.6 | 124.5 | -22.6 | -99.9 | -3.5 | 0 | 0 | 0 | 109.7 | | |
| 168 | H | 32.8 | Very low | 34.1 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -164.4 | 163 | 166.2 | -132.7 | -112.2 | 0 | 0 | 0 | 106.6 | | |
| 169 | P | 55.8 | Low | 34.1 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | | | cis | -141.6 | -162.8 | 16.3 | 41.9 | -20.2 | 0 | 0 | 0 | 116.3 | | |
| 170 | E | 30.5 | Very low | 34.1 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | 82.1 | -176 | 151.3 | -112.9 | 168.5 | 100.5 | 0 | 0 | 121.2 | | |
| 171 | N | 32.1 | Very low | 35.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | | | trans | -137.6 | 125.7 | -139 | 163.9 | 27.1 | 0 | 0 | 0 | 113.2 | | |
| 172 | Q | 33.5 | Very low | 35.7 | Very low | 154 Ų | 154 | 131 Ų | 131 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | 174.8 | 139.4 | 135.2 | -96.4 | 157.7 | 105.2 | 0 | 0 | 117.2 | | |
| 173 | Q | 31.3 | Very low | 35.4 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | | | trans | 78.3 | 130.9 | 134.7 | -69.5 | 169.9 | 21.3 | 0 | 0 | 126 | | |
| 174 | R | 26.9 | Very low | 35.6 | Very low | 242 Ų | 242 | 129.8 Ų | 129.8 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | | | trans | 92 | 144.6 | 142 | -157 | 170.5 | -73.1 | -118.4 | 2.6 | 119.3 | | |
| 175 | A | 32.2 | Very low | 35.5 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | -113.4 | 172.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 176 | P | 44.1 | Very low | 35.5 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | | | | -142.1 | -170.1 | 96.9 | 38.6 | -22.8 | 0 | 0 | 0 | 115.3 | | |
| 177 | G | 28.8 | Very low | 35.5 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | -86.9 | -155 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 178 | S | 33.3 | Very low | 36.7 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | -168.2 | 169.4 | 6.8 | 54 | 0 | 0 | 0 | 0 | 111.9 | | |
| 179 | N | 30.1 | Very low | 36.6 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | trans | 152.6 | 97.6 | 144.2 | -75.9 | -11.5 | 0 | 0 | 0 | 111.4 | | |
| 180 | A | 32.3 | Very low | 35.5 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | | 65.3 | 153 | 65.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 181 | P | 59.7 | Low | 36.6 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | -140.8 | -144.1 | -36.7 | 42.8 | -22.8 | 0 | 0 | 0 | 110.2 | | |
| 182 | P | 56.1 | Low | 36.3 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | cis | -137.1 | 161.4 | -17.8 | 37.6 | -18.8 | 0 | 0 | 0 | 118.7 | | |
| 183 | G | 30.4 | Very low | 36 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 108.8 | 155.9 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 184 | I | 32.8 | Very low | 35.8 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | cis | -159.5 | 133.5 | -8.7 | -109.5 | 177.1 | 0 | 0 | 0 | 109.3 | | |
| 185 | H | 31.5 | Very low | 35.8 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | | | trans | 36.1 | 162.1 | 157.5 | -59.6 | -82.5 | 0 | 0 | 0 | 122.7 | | |
| 186 | R | 32 | Very low | 35.9 | Very low | 235 Ų | 235 | 130.1 Ų | 130.1 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | cis | -158 | -179.7 | 15.3 | -141.4 | 172.2 | -166.4 | -176.6 | 4.3 | 112.8 | | |
| 187 | L | 29.2 | Very low | 35.9 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -106.7 | -165.6 | -178.9 | -61.4 | 158.6 | 0 | 0 | 0 | 111.9 | | |
| 188 | P | 54.3 | Low | 36.1 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | cis | -139.2 | -169.1 | -14 | 26.9 | -0.8 | 0 | 0 | 0 | 116 | | |
| 189 | S | 31.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | 116.9 | 158.2 | 135.3 | -66.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 190 | V | 33.1 | Very low | 36.4 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | trans | -134.6 | -174.1 | -175.4 | -127 | 0 | 0 | 0 | 0 | 107.4 | | |
| 191 | P | 52.8 | Low | 36.7 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | cis | -136.3 | 169.3 | -21.1 | 38.4 | -20.9 | 0 | 0 | 0 | 116.1 | | |
| 192 | G | 26.6 | Very low | 35.7 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | 90.4 | 170.7 | 130.5 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 193 | A | 26.4 | Very low | 34.5 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | | | trans | 75.2 | 152.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 194 | H | 27.6 | Very low | 34.5 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -81.4 | 151.1 | 178.2 | -45.6 | -117 | 0 | 0 | 0 | 111.7 | | |
| 195 | H | 27.7 | Very low | 34.4 | Very low | 186 Ų | 186 | 126.5 Ų | 126.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | | 176 | 171.9 | 115.2 | -106 | -87.2 | 0 | 0 | 0 | 113.9 | | |
| 196 | I | 34.3 | Very low | 34.5 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | | | trans | -114.5 | 146.6 | -174.2 | -52.7 | 162.8 | 0 | 0 | 0 | 109.5 | | |
| 197 | P | 44.6 | Very low | 34.4 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | | -120.6 | 141.6 | 116 | -4.6 | 25.4 | 0 | 0 | 0 | 110.9 | | |
| 198 | M | 31.8 | Very low | 34.3 | Very low | 163 Ų | 163 | 121.5 Ų | 121.5 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | | | | 57.7 | 132.5 | 64.9 | -74.9 | -161.8 | 165.4 | 0 | 0 | 113.2 | | |
| 199 | T | 37.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | cis | -155.5 | 157 | 9.4 | 1.2 | 0 | 0 | 0 | 0 | 108 | | |
| 200 | G | 31.9 | Very low | 34.6 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | cis | -167.9 | -156.2 | -0.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 201 | A | 39.3 | Very low | 34.3 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | | | cis | -178.8 | 156.3 | -16 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 202 | S | 39.5 | Very low | 33.6 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | cis | -172.6 | 147.7 | -16.3 | 46.8 | 0 | 0 | 0 | 0 | 107 | | |
| 203 | G | 30.8 | Very low | 33.8 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | cis | 135.2 | 110.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 204 | G | 30.1 | Very low | 33.9 | Very low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -164.7 | 145.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 205 | A | 30 | Very low | 34.1 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 59% | 0.587 | 78% | 0.781 | S | S | * | * | | | trans | -161.3 | -164.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 206 | Y | 33.7 | Very low | 34.2 | Very low | 206 Ų | 206 | 131 Ų | 131 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | 79.2 | 153.1 | 164.2 | -40.8 | -58.6 | 0 | 0 | 0 | 116.5 | | |
| 207 | H | 31.3 | Very low | 34.1 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | cis | -159.3 | 165.8 | -20.4 | -116.3 | -48.9 | 0 | 0 | 0 | 112.3 | | |
| 208 | C | 25.4 | Very low | 33.7 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | | | trans | 11.3 | 126.7 | 155.5 | -56.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 209 | H | 32.2 | Very low | 33.9 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | | 35.7 | 145.5 | 96 | -129.3 | -92 | 0 | 0 | 0 | 119.5 | | |
| 210 | P | 60.5 | Low | 33.6 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | | | cis | -128.3 | -179.1 | -46 | 42.4 | -30 | 0 | 0 | 0 | 112.2 | | |
| 211 | D | 26.3 | Very low | 33.6 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | | -179 | 171 | 122.1 | -111.5 | -38.1 | 0 | 0 | 0 | 114 | | |
| 212 | H | 37.8 | Very low | 33.2 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | -82.3 | 138.4 | 177.7 | -70.8 | -103.4 | 0 | 0 | 0 | 113.9 | | |
| 213 | A | 30.5 | Very low | 32.8 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | | | trans | -159.5 | 148.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 214 | Y | 30.2 | Very low | 33.1 | Very low | 243 Ų | 243 | 143.3 Ų | 143.3 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | | | trans | -52.1 | 159.2 | 170.8 | -113.5 | -117 | 0 | 0 | 0 | 116.2 | | |
| 215 | G | 30.3 | Very low | 34 | Very low | 64 Ų | 64 | 145.2 Ų | 145.2 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | | | trans | 161.4 | 106.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 216 | E | 30.9 | Very low | 34.4 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | | 25.4 | 147.7 | 126.7 | -74 | 179.6 | 121.9 | 0 | 0 | 121.1 | | |
| 217 | E | 31.1 | Very low | 35 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | | | cis | -173.3 | 170.2 | -10.6 | -149.9 | -86.9 | 104.5 | 0 | 0 | 106.3 | | |
| 218 | R | 36.1 | Very low | 35 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | 68 | 149.3 | 160.3 | -114.2 | 156.1 | 176.5 | 139.5 | 5.5 | 118.5 | | |
| 219 | D | 36.5 | Very low | 35.8 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | | | cis | -176.5 | 172.7 | -21.1 | 179.5 | 8.4 | 0 | 0 | 0 | 107.6 | | |
| 220 | K | 30.6 | Very low | 35.9 | Very low | 184 Ų | 184 | 154 Ų | 154 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | 82.7 | 138.3 | 175.3 | -59.1 | -179.8 | 177.5 | -180 | 0 | 117.9 | | |
| 221 | S | 31.9 | Very low | 34.6 | Very low | 91 Ų | 91 | 159.9 Ų | 159.9 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | | | cis | -171.7 | 149.4 | -14.5 | 51.4 | 0 | 0 | 0 | 0 | 112 | | |
| 222 | E | 32.4 | Very low | 35 | Very low | 178 Ų | 178 | 158.7 Ų | 158.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 66.5 | 150 | 162.5 | -29.1 | -160.2 | 131.8 | 0 | 0 | 116.7 | | |
| 223 | E | 31.1 | Very low | 34.8 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | cis | -141.7 | 159.4 | -5.3 | -178.8 | 54.9 | 156.9 | 0 | 0 | 111.6 | | |
| 224 | S | 37.3 | Very low | 35 | Very low | 98 Ų | 98 | 154.6 Ų | 154.6 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -141.5 | 143.5 | 171.9 | -76.1 | 0 | 0 | 0 | 0 | 110 | | |
| 225 | P | 47.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | | -156.5 | 164.9 | 87.9 | 39.8 | -20.8 | 0 | 0 | 0 | 117.9 | | |
| 226 | S | 38.4 | Very low | 35.2 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -90.2 | 161.3 | 157.5 | -59 | 0 | 0 | 0 | 0 | 111.3 | | |
| 227 | P | 46.4 | Very low | 35.4 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -144.1 | 129.9 | 132.5 | 34 | -17.9 | 0 | 0 | 0 | 117.2 | | |
| 228 | K | 32.7 | Very low | 35.6 | Very low | 209 Ų | 209 | 151.8 Ų | 151.8 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | 33.9 | 147.9 | 134.4 | -71.8 | 174.2 | 178.1 | 169.7 | 0 | 123.4 | | |
| 229 | R | 42.1 | Very low | 35.6 | Very low | 252 Ų | 252 | 149.1 Ų | 149.1 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | | | trans | -57.5 | 156.1 | 168.7 | -49.1 | 176.1 | -174.5 | -151.3 | 0.1 | 113.6 | | |
| 230 | Q | 33 | Very low | 35.6 | Very low | 198 Ų | 198 | 150.1 Ų | 150.1 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -126.9 | 164.6 | 161.7 | -161.9 | 169.1 | 0.8 | 0 | 0 | 111 | | |
| 231 | R | 33.7 | Very low | 35.7 | Very low | 217 Ų | 217 | 148.8 Ų | 148.8 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | | | trans | -148.5 | 156.9 | -170.8 | -169.8 | -160.6 | 176.4 | -152.8 | 1 | 110.5 | | |
| 232 | L | 35.4 | Very low | 35.6 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | | | trans | 102.2 | 157.6 | 156.4 | -60.4 | 175.9 | 0 | 0 | 0 | 119 | | |
| 233 | S | 34.2 | Very low | 35.6 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | 78.8 | 137.9 | 168.1 | 66.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 234 | S | 34.3 | Very low | 35.7 | Very low | 92 Ų | 92 | 145.2 Ų | 145.2 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | cis | -172.5 | 150.5 | -15.5 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 235 | Q | 31.9 | Very low | 35.6 | Very low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 66.5 | 163 | 154 | -72.6 | 175.9 | 61.6 | 0 | 0 | 117.5 | | |
| 236 | S | 31.5 | Very low | 35.5 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | cis | -169.5 | -176.8 | -29.7 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 237 | V | 35.6 | Very low | 35.6 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | 91.2 | 142.6 | 169.1 | -173.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 238 | L | 35.8 | Very low | 35.2 | Very low | 146 Ų | 146 | 147 Ų | 147 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | -124.3 | 178.7 | -171.6 | -176.2 | 67.4 | 0 | 0 | 0 | 107.9 | | |
| 239 | E | 35.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | 79 | 142.5 | 164 | -51.7 | -170 | 122.2 | 0 | 0 | 116 | | |
| 240 | Q | 35.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 137 Ų | 137 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | cis | -163.4 | -172.5 | -14.2 | -120.6 | 166.5 | 34.5 | 0 | 0 | 110.6 | | |
| 241 | L | 32.2 | Very low | 35.7 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | 85.3 | 141.2 | 165.7 | -50.2 | -179.3 | 0 | 0 | 0 | 117.5 | | |
| 242 | T | 31.5 | Very low | 36.3 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | | -178.9 | 134.5 | -54.7 | -91.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 243 | S | 32 | Very low | 37 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 51.3 | 112.4 | 161.3 | -62.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 244 | S | 32.8 | Very low | 37.7 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | | -163 | 146.9 | 116.7 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 245 | A | 35 | Very low | 38.3 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -113.1 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 246 | P | 45.6 | Very low | 39.7 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | cis | -134.4 | -165.4 | 8.2 | 43.3 | -24.7 | 0 | 0 | 0 | 115 | | |
| 247 | L | 39.8 | Very low | 40.2 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | | | trans | -72.9 | 155.2 | 175.5 | -68.6 | 78.4 | 0 | 0 | 0 | 113.6 | | |
| 248 | P | 39.5 | Very low | 40.9 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | trans | -121.5 | 135.9 | 148.4 | 35.8 | -25.5 | 0 | 0 | 0 | 114.2 | | |
| 249 | S | 33.3 | Very low | 41.3 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 44.2 | 118.3 | 141.4 | -52.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 250 | T | 41.6 | Very low | 41.4 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 130 | 159.2 | 48.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 251 | P | 42.3 | Very low | 42 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -85 | 140 | 165.3 | 33 | -31.8 | 0 | 0 | 0 | 111.7 | | |
| 252 | S | 45.9 | Very low | 42.7 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 155.1 | 176 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 253 | P | 50.4 | Low | 43.2 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 149.1 | 175.7 | 27.7 | -35.7 | 0 | 0 | 0 | 112.3 | | |
| 254 | P | 48.9 | Very low | 43.3 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.1 | -174.1 | 28.4 | -34.9 | 0 | 0 | 0 | 113.6 | | |
| 255 | I | 47.3 | Very low | 43.4 | Very low | 143 Ų | 143 | 131 Ų | 131 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 146.4 | 173.4 | -66.9 | 169.7 | 0 | 0 | 0 | 110.4 | E259 | I255-E259 WeakPolarHBondContact CG2-OE2 3.47Š|
| 256 | R | 60.4 | Low | 43.2 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 70% | 0.698 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 149.9 | -174.4 | -63.5 | -171.4 | -177.7 | -153.2 | 1.3 | 111.9 | W258 | R256-W258 PolarHBondContact O-N 2.81Š|
| 257 | P | 41.9 | Very low | 42.7 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 21.9 | -163.5 | -19.7 | 35 | 0 | 0 | 0 | 117.4 | | |
| 258 | W | 51.5 | Low | 42.8 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 1.6 | -174.9 | 61.8 | -85.9 | 0 | 0 | 0 | 114.7 | R256 S260 | R256-W258 PolarHBondContact O-N 2.81Å; W258-S260 VanDerWaalsContact C-N 3.33Å |
| 259 | E | 42.9 | Very low | 42.5 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | | | trans | -86 | 0.6 | 175.3 | -69.9 | 178.7 | 85.8 | 0 | 0 | 113.7 | I255 G261 | I255-E259 WeakPolarHBondContact CG2-OE2 3.47Å; E259-G261 PolarHBondContact O-N 3.37Å |
| 260 | S | 38.4 | Very low | 43.4 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -87 | 94.7 | 177.9 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | W258 | W258-S260 VanDerWaalsContact C-N 3.33Š|
| 261 | G | 49.6 | Very low | 42.9 | Very low | 60 Ų | 60 | 137.4 Ų | 137.4 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 159.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E259 | E259-G261 PolarHBondContact O-N 3.37Š|
| 262 | P | 46.4 | Very low | 42.4 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 126.7 | -172.3 | 28.4 | -34.6 | 0 | 0 | 0 | 112.7 | S264 | P262-S264 PolarHBondContact O-N 3.36Š|
| 263 | P | 42.2 | Very low | 41.8 | Very low | 136 Ų | 136 | 140 Ų | 140 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 119.8 | 178.4 | 30.2 | -33.6 | 0 | 0 | 0 | 111.7 | | |
| 264 | S | 34 | Very low | 40.8 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 130 | 166.1 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | P262 | P262-S264 PolarHBondContact O-N 3.36Š|
| 265 | R | 34.5 | Very low | 39.9 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | | | trans | 159.8 | 121.1 | 136.1 | -176.3 | 172.7 | -56.3 | -108.9 | -3.8 | 114.9 | | |
| 266 | R | 31.1 | Very low | 39.2 | Very low | 203 Ų | 203 | 145.8 Ų | 145.8 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | trans | 54.3 | 107.5 | 149.5 | -63.3 | 170 | -176.2 | 165.1 | 175.1 | 121 | | |
| 267 | Q | 34.4 | Very low | 37.9 | Very low | 133 Ų | 133 | 145 Ų | 145 | 62% | 0.621 | 75% | 0.748 | S | S | * | * | | | | 13.7 | 136.7 | 113.1 | -89.8 | -75.3 | -50.9 | 0 | 0 | 119.7 | H269 | Q267-H269 VanDerWaalsContact CD-ND1 3.35Å; Q267-H269 PolarHBondContact NE2-CE1 3.39Å; Q267-H269 PolarHBondContact NE2-ND1 3.46Å; Q267-H269 PolarHBondContact OE1-CE1 2.83Å; Q267-H269 PolarHBondContact OE1-ND1 3.46Å |
| 268 | P | 41.6 | Very low | 37.5 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | | -137 | 165.8 | 98.1 | 39.5 | -30.1 | 0 | 0 | 0 | 116.5 | | |
| 269 | H | 34.3 | Very low | 36.5 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | | | trans | -113.7 | 162.7 | 166.2 | -73.8 | 102.3 | 0 | 0 | 0 | 110.2 | Q267 | Q267-H269 VanDerWaalsContact CD-ND1 3.35Å; Q267-H269 PolarHBondContact NE2-CE1 3.39Å; Q267-H269 PolarHBondContact NE2-ND1 3.46Å; Q267-H269 PolarHBondContact OE1-CE1 2.83Å; Q267-H269 PolarHBondContact OE1-ND1 3.46Å |
| 270 | P | 51.9 | Low | 36.3 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | | | | -143 | 135.8 | 91.1 | 30.1 | -10.7 | 0 | 0 | 0 | 117.3 | | |
| 271 | H | 30.8 | Very low | 36.4 | Very low | 162 Ų | 162 | 147 Ų | 147 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | | | trans | 34.3 | 125.9 | 144.9 | -55.7 | -75.8 | 0 | 0 | 0 | 124.4 | | |
| 272 | T | 31.7 | Very low | 36.1 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | | | | 179.4 | 160.3 | 121.4 | 30.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 273 | H | 32.8 | Very low | 35.7 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | | | | -160.7 | 137.6 | -54.7 | -142.2 | -67.6 | 0 | 0 | 0 | 107.9 | | |
| 274 | Y | 30.8 | Very low | 35.4 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | | | trans | 61.5 | 161.8 | -180 | -75.4 | -82.7 | 0 | 0 | 0 | 117 | | |
| 275 | H | 29.6 | Very low | 35.5 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | | | cis | -122.1 | 169 | -0.5 | -165.6 | -91.5 | 0 | 0 | 0 | 112.2 | | |
| 276 | Q | 32.6 | Very low | 35.7 | Very low | 146 Ų | 146 | 159.3 Ų | 159.3 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | trans | -119.4 | 133.6 | -172.2 | 174.9 | 177.2 | 86.8 | 0 | 0 | 111.2 | | |
| 277 | E | 32.5 | Very low | 36.1 | Very low | 170 Ų | 170 | 161.4 Ų | 161.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -141 | 140.1 | 167.8 | -94.8 | -57.7 | 155.8 | 0 | 0 | 109.7 | | |
| 278 | R | 33.6 | Very low | 36.4 | Very low | 208 Ų | 208 | 160.3 Ų | 160.3 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -157 | 85.7 | -160.5 | -167.2 | -162.6 | -150.9 | 171.1 | 7.6 | 114.5 | | |
| 279 | C | 31.2 | Very low | 36.6 | Very low | 114 Ų | 114 | 160.1 Ų | 160.1 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -124.6 | 107.7 | 169 | -77 | 0 | 0 | 0 | 0 | 110.3 | | |
| 280 | L | 38.9 | Very low | 37 | Very low | 157 Ų | 157 | 159.3 Ų | 159.3 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | | 76.4 | 92.4 | 81.9 | -73.2 | 171.7 | 0 | 0 | 0 | 113.3 | P282 | L280-P282 WeakPolarHBondContact O-CD 3.47Š|
| 281 | T | 39.8 | Very low | 36.3 | Very low | 142 Ų | 142 | 158.7 Ų | 158.7 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 119.3 | 170.6 | 13.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 282 | P | 44.3 | Very low | 36.7 | Very low | 113 Ų | 113 | 162.6 Ų | 162.6 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 150.8 | 173.4 | -15.8 | 31.9 | 0 | 0 | 0 | 112.8 | L280 | L280-P282 WeakPolarHBondContact O-CD 3.47Š|
| 283 | P | 37.5 | Very low | 37.1 | Very low | 118 Ų | 118 | 167.2 Ų | 167.2 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 129.6 | -175.8 | 30.6 | -34.8 | 0 | 0 | 0 | 112.9 | I285 | P283-I285 PolarHBondContact O-N 2.53Š|
| 284 | R | 35.3 | Very low | 37.4 | Very low | 254 Ų | 254 | 169 Ų | 169 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | | | trans | -87.3 | 97.4 | 166.8 | -85.8 | -172.4 | 169.8 | 145.7 | 1.5 | 111.3 | | |
| 285 | I | 36.6 | Very low | 37.9 | Very low | 151 Ų | 151 | 171.1 Ų | 171.1 | 77% | 0.774 | 83% | 0.827 | S | S | * | * | | | trans | -56.4 | 140.5 | 171.4 | -65 | 168 | 0 | 0 | 0 | 110.5 | P283 | P283-I285 PolarHBondContact O-N 2.53Š|
| 286 | R | 38.9 | Very low | 38.2 | Very low | 243 Ų | 243 | 167.4 Ų | 167.4 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | | | trans | -55.5 | 136.7 | 176.3 | -63.6 | 179.6 | 177.3 | -172.5 | -1.5 | 111.2 | | |
| 287 | R | 39.2 | Very low | 38.5 | Very low | 247 Ų | 247 | 172.6 Ų | 172.6 | 93% | 0.932 | 85% | 0.845 | S | S | * | * | | | trans | -126.3 | 140.1 | 158.1 | -71.9 | -166.7 | 174.9 | -150.7 | -1.6 | 109.7 | | |
| 288 | S | 39.8 | Very low | 38.7 | Very low | 110 Ų | 110 | 172.5 Ų | 172.5 | 77% | 0.769 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 161.4 | -169.7 | 33.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 289 | P | 47.5 | Very low | 38.7 | Very low | 119 Ų | 119 | 168.2 Ų | 168.2 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -68 | 150.2 | 176.2 | -16.7 | 31.2 | 0 | 0 | 0 | 112.6 | | |
| 290 | P | 42.9 | Very low | 38.7 | Very low | 126 Ų | 126 | 174.2 Ų | 174.2 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 134.1 | 175.5 | 29.1 | -34.2 | 0 | 0 | 0 | 111.9 | R292 | P290-R292 PolarHBondContact O-N 3.29Š|
| 291 | A | 35.3 | Very low | 38.7 | Very low | 104 Ų | 104 | 172.5 Ų | 172.5 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -72 | 118.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R293 | A291-R293 PolarHBondContact O-N 3.14Š|
| 292 | R | 39.7 | Very low | 38.3 | Very low | 243 Ų | 243 | 171.2 Ų | 171.2 | 92% | 0.917 | 85% | 0.853 | S | S | * | * | | | trans | -85.7 | 100.9 | 176.3 | -165.2 | 178.9 | -165 | -176.3 | 5.6 | 110.7 | P290 | P290-R292 PolarHBondContact O-N 3.29Š|
| 293 | R | 39.6 | Very low | 37.8 | Very low | 238 Ų | 238 | 177.1 Ų | 177.1 | 90% | 0.898 | 86% | 0.86 | S | S | * | * | | | trans | -59.3 | 136.8 | 174.4 | -72.2 | -170.8 | 176.7 | -143.9 | 1 | 111.3 | A291 | A291-R293 PolarHBondContact O-N 3.14Š|
| 294 | Q | 40.8 | Very low | 37.7 | Very low | 187 Ų | 187 | 179.7 Ų | 179.7 | 87% | 0.874 | 86% | 0.861 | S | S | * | * | | | trans | -84.1 | 149.9 | 172 | -59.4 | 179.7 | 5.2 | 0 | 0 | 111 | | |
| 295 | R | 40.8 | Very low | 38 | Very low | 245 Ų | 245 | 173.2 Ų | 173.2 | 93% | 0.925 | 85% | 0.852 | S | S | * | * | | | trans | -149.1 | 144.9 | 154.4 | -73.9 | -163.4 | -167.9 | -102.7 | 10.3 | 110.6 | | |
| 296 | G | 35.7 | Very low | 38.4 | Very low | 80 Ų | 80 | 171.3 Ų | 171.3 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | | | trans | 57 | 98.1 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 297 | R | 38.8 | Very low | 38.1 | Very low | 256 Ų | 256 | 168.1 Ų | 168.1 | 97% | 0.966 | 85% | 0.85 | S | S | * | * | | | trans | -85 | 116.6 | 161.5 | -173.3 | -174 | -159.8 | -117 | 9.1 | 109.2 | | |
| 298 | L | 36.1 | Very low | 38 | Very low | 167 Ų | 167 | 164.2 Ų | 164.2 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | | | trans | -126.5 | 147 | 165.7 | -83.6 | 171.8 | 0 | 0 | 0 | 110.6 | | |
| 299 | S | 34.6 | Very low | 37.9 | Very low | 118 Ų | 118 | 165.9 Ų | 165.9 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | | | trans | -83 | 148.3 | -169.2 | 12.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 300 | R | 31.7 | Very low | 37.5 | Very low | 241 Ų | 241 | 167.8 Ų | 167.8 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | | | trans | -114.3 | 111.6 | 178.3 | -176.5 | -179.1 | -171.3 | 176.2 | 5 | 110.7 | | |
| 301 | P | 38.3 | Very low | 38.2 | Very low | 120 Ų | 120 | 166.6 Ų | 166.6 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | | | trans | -69.8 | 152.8 | 163.4 | -15.3 | 30.8 | 0 | 0 | 0 | 111.1 | | |
| 302 | S | 30.4 | Very low | 38 | Very low | 116 Ų | 116 | 167.3 Ų | 167.3 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | | | trans | -102.1 | 148.5 | 167.9 | -166 | 0 | 0 | 0 | 0 | 110.1 | | |
| 303 | R | 33.6 | Very low | 38.1 | Very low | 237 Ų | 237 | 159.6 Ų | 159.6 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | | | trans | -150.9 | 152.3 | 170 | -163 | 170.4 | -79.8 | -151.5 | -0.8 | 110.8 | | |
| 304 | H | 36.3 | Very low | 37.9 | Very low | 171 Ų | 171 | 158 Ų | 158 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 164.9 | -166.4 | -72.9 | -97.1 | 0 | 0 | 0 | 114.2 | | |
| 305 | P | 41.5 | Very low | 37.3 | Very low | 118 Ų | 118 | 152.6 Ų | 152.6 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 166.6 | -177.1 | 31.8 | -37.7 | 0 | 0 | 0 | 114.6 | | |
| 306 | P | 44.8 | Very low | 38 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 168.2 | -173.8 | 39.5 | -36.1 | 0 | 0 | 0 | 115 | | |
| 307 | L | 33.3 | Very low | 37.8 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | | | trans | -135.2 | 161.5 | 160.2 | -74.7 | 176.1 | 0 | 0 | 0 | 110 | | |
| 308 | H | 35.7 | Very low | 38.5 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | trans | -100.2 | 144.4 | -165.7 | -82.4 | -111.4 | 0 | 0 | 0 | 114.9 | | |
| 309 | H | 38.5 | Very low | 38.1 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | | 28.3 | 147.8 | 124.6 | -62.9 | -98.1 | 0 | 0 | 0 | 120.1 | | |
| 310 | H | 39.8 | Very low | 38.6 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 73% | 0.731 | 78% | 0.784 | S | S | * | * | | | cis | -159 | -160.1 | 20 | -130 | -30.2 | 0 | 0 | 0 | 114.3 | | |
| 311 | P | 56.3 | Low | 38.5 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | trans | -130.8 | -175.2 | -134.7 | 47.8 | -30.1 | 0 | 0 | 0 | 118.4 | | |
| 312 | S | 31.5 | Very low | 39.2 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | 157.2 | 158.9 | 141 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 313 | A | 41.6 | Very low | 39.4 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | cis | -172.4 | 169.9 | -29.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 314 | Q | 35.2 | Very low | 39.5 | Very low | 205 Ų | 205 | 131.9 Ų | 131.9 | 96% | 0.958 | 76% | 0.755 | S | S | * | * | | | trans | 88.3 | 155.6 | 165 | -48 | -173.3 | 17.7 | 0 | 0 | 120.3 | | |
| 315 | G | 29.2 | Very low | 39.4 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | | | trans | -135.5 | -138.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 316 | P | 54.9 | Low | 39.1 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | cis | -146.3 | 162.2 | -13.9 | 42.2 | -22.9 | 0 | 0 | 0 | 118.9 | | |
| 317 | T | 31.9 | Very low | 38.5 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | | | trans | 62 | 175.6 | 153 | 55.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 318 | P | 52.5 | Low | 38.5 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | cis | -136.2 | 161.3 | -22.4 | 32.9 | -12.6 | 0 | 0 | 0 | 118.7 | | |
| 319 | R | 28.5 | Very low | 38.6 | Very low | 230 Ų | 230 | 132 Ų | 132 | 87% | 0.868 | 72% | 0.722 | S | S | * | * | | | trans | 39.8 | 174.6 | 144.1 | -105 | -174.3 | 174.1 | -146 | -1.1 | 123.6 | | |
| 320 | P | 45.3 | Very low | 38.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | | | cis | -140.1 | 167 | -13.8 | 41.6 | -23.2 | 0 | 0 | 0 | 119.1 | | |
| 321 | S | 29.8 | Very low | 38.1 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | | | trans | 49.2 | 167.7 | 134.7 | -65.7 | 0 | 0 | 0 | 0 | 125.3 | | |
| 322 | P | 52.7 | Low | 36.9 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | cis | -141.5 | -167.9 | -32.7 | 38.3 | -17.7 | 0 | 0 | 0 | 116 | | |
| 323 | S | 34.3 | Very low | 36.7 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | trans | 84.5 | 144.1 | 157.2 | -54.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 324 | E | 36.2 | Very low | 37.2 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | | | cis | -170.8 | 179.8 | -10.4 | -106.6 | -172.3 | 166.3 | 0 | 0 | 107.3 | | |
| 325 | R | 34.9 | Very low | 37 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | | | cis | -165.1 | 153.8 | 1.9 | -131.1 | -178.8 | -140.6 | -96.8 | -16.4 | 111.8 | | |
| 326 | R | 33.5 | Very low | 38.3 | Very low | 199 Ų | 199 | 139 Ų | 139 | 75% | 0.751 | 72% | 0.721 | S | S | * | * | | | trans | 60.4 | 151.1 | 155.5 | -48.5 | -164.2 | 95.7 | 151.8 | 6.5 | 121.3 | | |
| 327 | D | 33 | Very low | 37.1 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | | | cis | -176.1 | 166.2 | -22.4 | -85.2 | -19.2 | 0 | 0 | 0 | 105.6 | | |
| 328 | E | 34.2 | Very low | 37.2 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | | | cis | -161.9 | 155.5 | -3.7 | -137 | -161.8 | 87.4 | 0 | 0 | 112.4 | | |
| 329 | N | 36.5 | Very low | 36.3 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 54% | 0.535 | 72% | 0.715 | S | S | . | * | | | trans | 53.8 | -175.1 | 151.7 | -107.4 | -47.1 | 0 | 0 | 0 | 121.2 | | |
| 330 | Y | 32.7 | Very low | 36.5 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | | | cis | -146.8 | 135.6 | -2.6 | -130.1 | -61.2 | 0 | 0 | 0 | 114.4 | | |
| 331 | H | 35 | Very low | 35.6 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 65% | 0.653 | 71% | 0.714 | S | S | * | * | | | trans | 5.2 | 136.6 | 162.4 | -64.5 | 54.2 | 0 | 0 | 0 | 128.2 | | |
| 332 | H | 31 | Very low | 35.6 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | | | trans | 27.7 | 129.5 | 133 | -62.1 | -73.8 | 0 | 0 | 0 | 128.3 | | |
| 333 | N | 27.7 | Very low | 35.6 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | | | trans | 55.5 | 172.7 | 134.8 | -101.4 | 6.4 | 0 | 0 | 0 | 122.4 | | |
| 334 | P | 53.3 | Low | 35.5 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | | | cis | -136.4 | -143.1 | -20.2 | 40.9 | -18.9 | 0 | 0 | 0 | 114.9 | | |
| 335 | L | 30.4 | Very low | 35.5 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | | | trans | -72.8 | -171.9 | 176.5 | -128.5 | 68 | 0 | 0 | 0 | 114 | | |
| 336 | P | 55.4 | Low | 35.4 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | | | cis | -146.4 | -169.1 | -8.6 | 44 | -22.6 | 0 | 0 | 0 | 118.8 | | |
| 337 | S | 30.3 | Very low | 36 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | | | trans | 77.1 | 117.2 | 139.7 | -69.4 | 0 | 0 | 0 | 0 | 127.9 | | |
| 338 | A | 34.2 | Very low | 36 | Very low | 81 Ų | 81 | 134 Ų | 134 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | | | | 75.1 | 165.8 | 121.4 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 339 | H | 33 | Very low | 35.8 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | | | trans | 75.2 | 149.3 | 169.3 | -66.9 | -86 | 0 | 0 | 0 | 118.4 | | |
| 340 | Q | 32.3 | Very low | 35.8 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | cis | -168.5 | 161.1 | -20.8 | -138.3 | 178.7 | 29.1 | 0 | 0 | 113.1 | | |
| 341 | T | 27.3 | Very low | 36.3 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | 81.5 | 144.9 | 145.8 | -50.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 342 | Y | 30.4 | Very low | 36.4 | Very low | 214 Ų | 214 | 135.4 Ų | 135.4 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | | | trans | -76.2 | -174.1 | 176.5 | -92.8 | -77.4 | 0 | 0 | 0 | 114.2 | | |
| 343 | P | 51.3 | Low | 37.6 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | | | cis | -120.1 | -167 | 12 | 45.6 | -30.6 | 0 | 0 | 0 | 113.7 | | |
| 344 | A | 34 | Very low | 38.6 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | | | cis | -148.8 | -163.7 | 8.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 345 | H | 34.7 | Very low | 37.7 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | cis | -151.1 | -141.1 | -0.1 | -147.3 | -56.3 | 0 | 0 | 0 | 111.5 | | |
| 346 | T | 33.2 | Very low | 38 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | | | trans | -156.8 | -179.5 | -167.2 | 53 | 0 | 0 | 0 | 0 | 109.7 | | |
| 347 | P | 46.7 | Very low | 36.8 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | cis | -147.1 | 159.8 | 12.7 | 43.4 | -23.3 | 0 | 0 | 0 | 120.8 | | |
| 348 | S | 32.4 | Very low | 36.7 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | trans | 65.7 | 152.8 | 138.9 | -150.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 349 | T | 30.6 | Very low | 36.5 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | cis | -160.6 | 114.2 | 33.9 | -53.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 350 | Y | 35.5 | Very low | 36.3 | Very low | 213 Ų | 213 | 123.5 Ų | 123.5 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | 55.4 | 169.1 | 133 | -84.3 | -60.7 | 0 | 0 | 0 | 122.8 | | |
| 351 | P | 44.3 | Very low | 36.2 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | | -141.1 | -167.7 | -122.7 | 51.2 | -34.3 | 0 | 0 | 0 | 119 | | |
| 352 | Q | 36.2 | Very low | 36.3 | Very low | 177 Ų | 177 | 126 Ų | 126 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | trans | 84.8 | 150.4 | 152.1 | -72.6 | -86.2 | -33 | 0 | 0 | 120.8 | | |
| 353 | P | 56.8 | Low | 36.4 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | trans | -103.6 | -166.8 | 177.5 | 47.3 | -36.5 | 0 | 0 | 0 | 110.8 | | |
| 354 | P | 49.4 | Very low | 35.4 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | | -157.8 | -169 | 63.4 | 37.3 | -11.2 | 0 | 0 | 0 | 118 | | |
| 355 | T | 33.2 | Very low | 35.4 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | 75.9 | 166.8 | 150.8 | 25.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 356 | A | 37.4 | Very low | 36 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -143.8 | 162.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 357 | G | 29.2 | Very low | 36 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 117.6 | 146.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 358 | G | 28.6 | Very low | 35.3 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | 127.2 | 140.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 359 | A | 29.9 | Very low | 35.1 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 95% | 0.95 | 80% | 0.799 | S | S | * | * | | | trans | -77.3 | 171 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 360 | G | 28.3 | Very low | 35.2 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | cis | 152 | -168.2 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 361 | R | 30.1 | Very low | 36.1 | Very low | 263 Ų | 263 | 132.3 Ų | 132.3 | 99% | 0.992 | 80% | 0.796 | S | S | * | * | | | trans | 81 | 154.4 | 179.4 | -67.6 | -178.4 | 161.4 | -110.7 | -1.5 | 118.3 | | |
| 362 | G | 30.1 | Very low | 36.2 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | 104.8 | 96.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 363 | S | 31.7 | Very low | 35.9 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | | 62.7 | 126 | 56.1 | -131.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 364 | E | 31.5 | Very low | 34.7 | Very low | 189 Ų | 189 | 132 Ų | 132 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | cis | -141.5 | 179.6 | 26.3 | -66.4 | 171.2 | 130.6 | 0 | 0 | 114.3 | | |
| 365 | E | 33.3 | Very low | 33.7 | Very low | 183 Ų | 183 | 131.4 Ų | 131.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -150.5 | 151.5 | -168.1 | -178.3 | -177.9 | 142.8 | 0 | 0 | 108.6 | | |
| 366 | P | 48.8 | Very low | 33.5 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | | | cis | -123.3 | -149.1 | 29.7 | 32.8 | -7.7 | 0 | 0 | 0 | 113 | | |
| 367 | R | 32 | Very low | 33.1 | Very low | 217 Ų | 217 | 133 Ų | 133 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | | | cis | -163.5 | 156.7 | 21.5 | -162.2 | 177.1 | -175.2 | 99 | -0 | 112.7 | | |
| 368 | A | 31.4 | Very low | 33.4 | Very low | 81 Ų | 81 | 136 Ų | 136 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | trans | -108 | 165.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 369 | F | 30 | Very low | 33.6 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | -154 | 148.7 | 162 | -101.7 | -75.1 | 0 | 0 | 0 | 113.3 | | |
| 370 | H | 31.3 | Very low | 33.9 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | trans | -142.7 | 177.4 | 172.5 | -66.5 | -85.4 | 0 | 0 | 0 | 108 | | |
| 371 | P | 54.5 | Low | 34.4 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | cis | -102.5 | -112.4 | -27.5 | 39.3 | -23.8 | 0 | 0 | 0 | 107.9 | | |
| 372 | P | 46.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | cis | -98.5 | -171.3 | -22.6 | 40.6 | -26.2 | 0 | 0 | 0 | 110.8 | | |
| 373 | T | 30.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | cis | 78.8 | 151.2 | 11.2 | 79 | 0 | 0 | 0 | 0 | 116.7 | | |
| 374 | L | 30.5 | Very low | 34.4 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | cis | -141.3 | 140.6 | 10.2 | -93.3 | 179.8 | 0 | 0 | 0 | 114.1 | | |
| 375 | S | 29.4 | Very low | 34.4 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | | | trans | 44.1 | 137.5 | 138.4 | 74.3 | 0 | 0 | 0 | 0 | 126.5 | | |
| 376 | S | 29.3 | Very low | 34.4 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | 92.2 | 142.4 | 130.5 | -71.2 | 0 | 0 | 0 | 0 | 124.7 | | |
| 377 | Q | 28.4 | Very low | 34.5 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | 83.5 | 119.2 | 151.7 | -79.4 | -177.8 | -30.4 | 0 | 0 | 123.9 | | |
| 378 | L | 36.2 | Very low | 34.7 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | | 47.2 | 118.4 | 129.7 | -61.6 | 167.4 | 0 | 0 | 0 | 121.4 | | |
| 379 | L | 32.7 | Very low | 34.8 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | | | | 174.9 | 155.8 | 110.1 | -92.5 | 163.4 | 0 | 0 | 0 | 112.6 | | |
| 380 | H | 35.2 | Very low | 35.1 | Very low | 177 Ų | 177 | 139 Ų | 139 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | | | trans | -103.5 | 151.2 | 163.4 | -82.8 | 97.7 | 0 | 0 | 0 | 108.8 | | |
| 381 | P | 39.9 | Very low | 35.6 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | | | | -141.1 | -159.3 | 95 | 37 | -19.7 | 0 | 0 | 0 | 113.1 | | |
| 382 | A | 29.6 | Very low | 35.4 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | -137.2 | 172.9 | -154.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 383 | A | 30.2 | Very low | 35.1 | Very low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | 84.3 | 165.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 384 | H | 30.5 | Very low | 35.6 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | trans | 79.1 | 137.7 | 175.3 | -55.8 | -78.3 | 0 | 0 | 0 | 116.5 | | |
| 385 | H | 32.2 | Very low | 36 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | | | cis | -140.9 | 163.8 | 5.4 | -96.5 | -62.5 | 0 | 0 | 0 | 114.3 | | |
| 386 | H | 32.3 | Very low | 36.2 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | -120.5 | -172.8 | 162.9 | -117.1 | 70.6 | 0 | 0 | 0 | 106.4 | | |
| 387 | P | 51.9 | Low | 36.3 | Very low | 91 Ų | 91 | 148.8 Ų | 148.8 | 59% | 0.591 | 76% | 0.76 | S | S | * | * | | | cis | -142.9 | -173.6 | 5.6 | 44.1 | -25.1 | 0 | 0 | 0 | 117.1 | | |
| 388 | H | 35.8 | Very low | 36.6 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | 59.9 | 165.8 | 146.7 | -69.2 | -44.6 | 0 | 0 | 0 | 121 | | |
| 389 | H | 33.7 | Very low | 36.4 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | | | cis | -121.2 | -161.8 | 2.2 | -64.5 | -97.8 | 0 | 0 | 0 | 110.3 | | |
| 390 | H | 36.6 | Very low | 36.3 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | | | cis | -154.6 | -171.9 | 2.3 | -158.1 | -102.2 | 0 | 0 | 0 | 110.8 | | |
| 391 | H | 41.7 | Very low | 36.2 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 65% | 0.648 | 74% | 0.741 | S | S | * | * | | | trans | -120.5 | 175.4 | 172.9 | -149 | 74.1 | 0 | 0 | 0 | 110.9 | | |
| 392 | P | 50.6 | Low | 35.7 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | | | | -147.2 | 162.5 | 124 | 38.5 | -24.5 | 0 | 0 | 0 | 115.8 | | |
| 393 | H | 40.4 | Very low | 35.8 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | | | trans | -148.7 | 151.9 | 170.9 | -145.4 | -65.8 | 0 | 0 | 0 | 108.9 | | |
| 394 | H | 39.8 | Very low | 35.9 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | | | trans | -147.2 | 124.4 | 170.9 | -136.5 | -89.3 | 0 | 0 | 0 | 106.7 | | |
| 395 | Q | 39.7 | Very low | 35.9 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | cis | 81.7 | 119.5 | 46.2 | 179.1 | -174.1 | 61.9 | 0 | 0 | 114 | | |
| 396 | Q | 34.1 | Very low | 35.9 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | | | trans | -157.8 | 130.8 | 137.7 | -155.5 | 118.9 | 13.5 | 0 | 0 | 112.7 | H398 | Q396-H398 PolarHBondContact NE2-NE2 3.06Š|
| 397 | Q | 30.8 | Very low | 35.8 | Very low | 194 Ų | 194 | 141 Ų | 141 | 91% | 0.907 | 74% | 0.735 | S | S | * | * | | | trans | -149 | 160.6 | 150 | -97.3 | -164.8 | -9.3 | 0 | 0 | 107.3 | | |
| 398 | H | 34 | Very low | 34.6 | Very low | 127 Ų | 127 | 145 Ų | 145 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | | | trans | -123.4 | 136.5 | -166.8 | -92.6 | -96.4 | 0 | 0 | 0 | 114.9 | Q396 | Q396-H398 PolarHBondContact NE2-NE2 3.06Š|
| 399 | H | 33.3 | Very low | 34.4 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | | | trans | 66.1 | 154.4 | 152.2 | -62 | -53.6 | 0 | 0 | 0 | 121.5 | | |
| 400 | A | 29.7 | Very low | 34.4 | Very low | 87 Ų | 87 | 144 Ų | 144 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | -101.2 | -174.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 401 | T | 32.6 | Very low | 34.2 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | | -166.4 | 150.3 | 52.5 | 44.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 402 | Q | 31.4 | Very low | 34 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | | | trans | 68.3 | 101.6 | 135.6 | -165.4 | 168.4 | 8.8 | 0 | 0 | 121.7 | | |
| 403 | Q | 30.2 | Very low | 33.3 | Very low | 152 Ų | 152 | 144 Ų | 144 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | | | | 54.5 | 138 | 130 | -88.5 | -175.8 | -12.2 | 0 | 0 | 124.3 | | |
| 404 | Q | 33.2 | Very low | 32.9 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | | | | 107.7 | 125.2 | 128.3 | -91.4 | -177.1 | 46.1 | 0 | 0 | 121.5 | | |
| 405 | Q | 31 | Very low | 32.6 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 71 | 152.9 | 149.5 | -60.3 | -179.5 | 62.3 | 0 | 0 | 119.9 | | |
| 406 | G | 30.3 | Very low | 32.2 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | | | trans | 108.9 | 118.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 407 | A | 30.1 | Very low | 32.2 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | trans | -94.8 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 408 | M | 28.3 | Very low | 32.4 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | trans | 71.7 | 139.4 | 149.4 | 93.3 | -140.5 | -78 | 0 | 0 | 117.3 | | |
| 409 | V | 30.4 | Very low | 32.1 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | cis | -146.8 | 135.8 | -4.5 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 410 | L | 33.8 | Very low | 32.4 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | | | trans | -161.3 | 139.6 | 133 | -137.6 | 70.3 | 0 | 0 | 0 | 110.5 | | |
| 411 | D | 33.6 | Very low | 32.5 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | | | trans | -102 | 143.5 | -179.8 | 171.8 | 40.4 | 0 | 0 | 0 | 110.8 | H413 | D411-H413 PolarHBondContact OD1-N 3.45Å; D411-H413 IonicContact OD1-ND1 3.17Å |
| 412 | L | 36 | Very low | 32.9 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | | | trans | -156.7 | 100.1 | 146.5 | -143.3 | 70.5 | 0 | 0 | 0 | 112.2 | | |
| 413 | H | 36.6 | Very low | 33.3 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | | | trans | -52 | 159.3 | 154.3 | -99.9 | 69.2 | 0 | 0 | 0 | 112.4 | D411 | D411-H413 PolarHBondContact OD1-N 3.45Å; D411-H413 IonicContact OD1-ND1 3.17Å |
| 414 | D | 32.8 | Very low | 33.5 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | | | cis | -153.8 | 158.5 | 2.3 | -164.5 | -149.8 | 0 | 0 | 0 | 113.2 | | |
| 415 | R | 33.2 | Very low | 33.8 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 41.3 | 152.7 | 148.7 | -87.5 | 174.7 | 108.7 | -139.1 | -2.6 | 127.4 | | |
| 416 | L | 31.6 | Very low | 34.2 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 60% | 0.602 | 78% | 0.776 | S | S | * | * | | | trans | 78.8 | 89 | 142.5 | -80.2 | 173.1 | 0 | 0 | 0 | 121.7 | | |
| 417 | Q | 32.9 | Very low | 34.5 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | | 17.9 | 138 | 116.8 | -66.2 | -176.4 | 1.2 | 0 | 0 | 121.5 | | |
| 418 | Q | 34.3 | Very low | 34.8 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | trans | 76.1 | 114.4 | 151.6 | -68.4 | 175 | 24 | 0 | 0 | 119.4 | | |
| 419 | G | 28.3 | Very low | 35.5 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | 178.1 | 123.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 420 | N | 40.1 | Very low | 36 | Very low | 175 Ų | 175 | 141 Ų | 141 | 94% | 0.936 | 77% | 0.766 | S | S | * | * | | | trans | -70.5 | 140.8 | 166.9 | -81.3 | -12.2 | 0 | 0 | 0 | 109.5 | | |
| 421 | I | 30.9 | Very low | 36.4 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | | | trans | -128.1 | 132.5 | 171.9 | -62.5 | -177.4 | 0 | 0 | 0 | 108.4 | | |
| 422 | P | 42.4 | Very low | 36.6 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -78 | 160.2 | -176 | 32.2 | -36.7 | 0 | 0 | 0 | 113.1 | S424 | P422-S424 PolarHBondContact O-N 2.87Š|
| 423 | V | 38.9 | Very low | 36.4 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 118 | 168.1 | -180 | 0 | 0 | 0 | 0 | 109.1 | | |
| 424 | S | 34 | Very low | 36.1 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 132.6 | 178.2 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | P422 | P422-S424 PolarHBondContact O-N 2.87Š|
| 425 | Y | 40.4 | Very low | 36.1 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | -104 | 136.9 | 164.3 | 57.1 | -89.4 | 0 | 0 | 0 | 109 | V427 | Y425-V427 HydrophobicContact CD2-CG2 3.86Å; Y425-V427 HydrophobicContact CE2-CG2 3.92Å |
| 426 | T | 39.4 | Very low | 35.9 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -89.4 | 121.7 | 178.9 | 37.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 427 | V | 36.3 | Very low | 36.1 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | | | trans | -109.2 | 121.5 | 165.9 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | Y425 P429 | Y425-V427 HydrophobicContact CD2-CG2 3.86Å; Y425-V427 HydrophobicContact CE2-CG2 3.92Å; V427-P429 VanDerWaalsContact O-CD 3.27Å; V427-P429 WeakPolarHBondContact O-CD 3.45Å |
| 428 | T | 35.5 | Very low | 36.6 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -91.9 | 109.8 | 177.5 | -52 | 0 | 0 | 0 | 0 | 109.9 | | |
| 429 | P | 44.8 | Very low | 36.3 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128.9 | 171.4 | 30.1 | -33.2 | 0 | 0 | 0 | 110.2 | V427 P431 | V427-P429 VanDerWaalsContact O-CD 3.27Å; V427-P429 WeakPolarHBondContact O-CD 3.45Å; P429-P431 WeakPolarHBondContact O-CD 3.04Å |
| 430 | V | 39.1 | Very low | 36.4 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 122 | 173.5 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 431 | P | 43.1 | Very low | 36.1 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 53% | 0.526 | 80% | 0.796 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 134.3 | 175.9 | -11.8 | 27.9 | 0 | 0 | 0 | 111.5 | P429 H433 | P429-P431 WeakPolarHBondContact O-CD 3.04Å; P431-H433 PolarHBondContact O-N 2.75Å |
| 432 | P | 37.1 | Very low | 36 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 88.3 | 169.8 | 31.5 | -33.1 | 0 | 0 | 0 | 110.2 | G434 | P432-G434 PolarHBondContact O-N 2.97Š|
| 433 | H | 31.8 | Very low | 35.6 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -72.6 | 116 | 171 | -75.8 | -78.4 | 0 | 0 | 0 | 110.4 | P431 | P431-H433 PolarHBondContact O-N 2.75Š|
| 434 | G | 30.3 | Very low | 35.3 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P432 | P432-G434 PolarHBondContact O-N 2.97Š|
| 435 | L | 32.9 | Very low | 35.3 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 117.2 | 171.1 | -67.4 | 172.3 | 0 | 0 | 0 | 109.8 | | |
| 436 | A | 30.2 | Very low | 35.7 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 130.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 437 | A | 34.8 | Very low | 36.6 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 170.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 438 | P | 44.8 | Very low | 36.2 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 159.2 | -148.8 | 31.1 | -37.2 | 0 | 0 | 0 | 115.9 | | |
| 439 | L | 28.2 | Very low | 35.8 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 134 | 169.1 | -67.8 | 167.9 | 0 | 0 | 0 | 111.3 | | |
| 440 | C | 29.4 | Very low | 35.3 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -121.3 | 148.9 | 159.3 | -68.8 | 0 | 0 | 0 | 0 | 109.6 | G442 | C440-G442 PolarHBondContact O-N 2.86Š|
| 441 | S | 33.4 | Very low | 35 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | -80.1 | 117.2 | -165.5 | -59.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 442 | G | 29.9 | Very low | 34.6 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | | | trans | 63.2 | 128.8 | 133.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | C440 | C440-G442 PolarHBondContact O-N 2.86Š|
| 443 | Q | 33.1 | Very low | 34.6 | Very low | 206 Ų | 206 | 133.1 Ų | 133.1 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | | | trans | -156.5 | 172.8 | 136.9 | -120.3 | 161.8 | 98.3 | 0 | 0 | 114.4 | | |
| 444 | H | 32.3 | Very low | 34.8 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | | | trans | -75.1 | 156.8 | -158.5 | -132 | -103.2 | 0 | 0 | 0 | 115.8 | | |
| 445 | I | 35.2 | Very low | 34.8 | Very low | 144 Ų | 144 | 137 Ų | 137 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | | | trans | -83.1 | 159.1 | 156.1 | -2.5 | 177.6 | 0 | 0 | 0 | 108.3 | | |
| 446 | P | 47.7 | Very low | 35.3 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | | -147.5 | -141.5 | 59.4 | 43.4 | -18.3 | 0 | 0 | 0 | 112.9 | | |
| 447 | P | 58.8 | Low | 35.2 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | | | | -137.3 | -163.1 | -119.7 | 41.9 | -18.6 | 0 | 0 | 0 | 117 | | |
| 448 | S | 27.7 | Very low | 35 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | 98.2 | 170.7 | 151.4 | 82.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 449 | C | 27.1 | Very low | 34.4 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -79.9 | -179.4 | -158.7 | -46.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 450 | S | 33.8 | Very low | 34.5 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | cis | -163.3 | 169.3 | 15.7 | -154.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 451 | S | 33.3 | Very low | 34.6 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | 62.1 | 158.4 | 157.6 | 66.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 452 | Q | 34 | Very low | 34.4 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | cis | -173.1 | 114.8 | -31 | 169.9 | -178.4 | -20 | 0 | 0 | 109 | | |
| 453 | Q | 37.1 | Very low | 34.4 | Very low | 194 Ų | 194 | 138.6 Ų | 138.6 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | trans | -171.1 | 155.9 | 139.6 | -110.2 | 169.5 | -0.6 | 0 | 0 | 111.2 | | |
| 454 | Q | 35.8 | Very low | 34.3 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -126 | 143.4 | -167.2 | -59.5 | 160.4 | -80.7 | 0 | 0 | 111.5 | | |
| 455 | V | 31.3 | Very low | 34.3 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | trans | -148.7 | 150.7 | 138.4 | -101.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 456 | P | 43.4 | Very low | 34 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | trans | -105.5 | 146.5 | -143.7 | 34.1 | -27.6 | 0 | 0 | 0 | 115.5 | | |
| 457 | T | 28.9 | Very low | 33.2 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -97.2 | 135 | 163.6 | 47.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 458 | C | 30 | Very low | 31.8 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -118.4 | 89.5 | 176.6 | -66 | 0 | 0 | 0 | 0 | 110.7 | | |
| 459 | S | 31.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 118.9 | 167.8 | -59.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 460 | V | 30.4 | Very low | 33.3 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -96 | 116.8 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 461 | V | 32 | Very low | 33.2 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 129.3 | 173.2 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | S463 | V461-S463 PolarHBondContact O-N 2.86Š|
| 462 | F | 28.5 | Very low | 33.1 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -92.6 | 96.8 | 170.8 | -92.7 | -86.7 | 0 | 0 | 0 | 111.3 | | |
| 463 | S | 30.8 | Very low | 33 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -122.8 | 146.2 | 158.8 | -74 | 0 | 0 | 0 | 0 | 108.4 | V461 | V461-S463 PolarHBondContact O-N 2.86Š|
| 464 | A | 30.4 | Very low | 32.5 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 139.6 | -162.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 465 | G | 32.3 | Very low | 32.3 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | trans | -90.1 | 167.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 466 | Q | 29.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | -138.4 | 145.3 | -177.5 | -90.1 | -75.5 | 25.3 | 0 | 0 | 111.5 | | |
| 467 | H | 31.3 | Very low | 31.6 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | | | trans | 48.9 | 116.6 | 167.9 | -40.2 | -58 | 0 | 0 | 0 | 117.6 | | |
| 468 | Y | 29.4 | Very low | 31.8 | Very low | 223 Ų | 223 | 138.1 Ų | 138.1 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | | | | -174.2 | 152.5 | 69.3 | -104.7 | -81.9 | 0 | 0 | 0 | 111.1 | | |
| 469 | H | 37.2 | Very low | 31.8 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -152.5 | 140.2 | 175.2 | -107.6 | -70.6 | 0 | 0 | 0 | 112.3 | | |
| 470 | P | 48.5 | Very low | 31.7 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | -130.1 | 161.9 | 139.9 | 37 | -27 | 0 | 0 | 0 | 110.7 | | |
| 471 | M | 31.4 | Very low | 32.4 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | cis | -159.7 | 151.6 | -18.7 | -97.9 | 162 | 63.2 | 0 | 0 | 103.6 | | |
| 472 | L | 32 | Very low | 32.2 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 67% | 0.665 | 78% | 0.778 | S | S | * | * | | | cis | -151.4 | 152.3 | 42.9 | -79.7 | 168.8 | 0 | 0 | 0 | 112.6 | | |
| 473 | Q | 32.2 | Very low | 32.1 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 54.1 | 83.6 | 146.4 | -64.5 | 177.7 | -84.8 | 0 | 0 | 120.8 | | |
| 474 | A | 26.3 | Very low | 32 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | -158.7 | 92.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 475 | C | 32.3 | Very low | 32 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -100.4 | 117.3 | -170.3 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 476 | S | 32.8 | Very low | 31.8 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | 27.3 | 134.6 | 139.3 | 62.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 477 | M | 26.5 | Very low | 32.3 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | | | trans | -122.1 | 133.5 | 145.5 | -82 | -67.6 | -70.4 | 0 | 0 | 110.1 | | |
| 478 | H | 33.8 | Very low | 32.2 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | | | trans | -147.5 | 136.8 | 165.8 | -97 | 53.7 | 0 | 0 | 0 | 107.9 | | |
| 479 | H | 29.3 | Very low | 32.4 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | trans | 51.1 | 111.9 | 165.7 | -75.3 | -106.5 | 0 | 0 | 0 | 120.4 | | |
| 480 | L | 29.6 | Very low | 32.1 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | | 27.5 | 150.1 | 120.2 | -55.1 | 173.7 | 0 | 0 | 0 | 120.5 | | |
| 481 | P | 44.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | cis | -138.6 | -161.7 | -34.1 | 32 | -8.7 | 0 | 0 | 0 | 113 | | |
| 482 | V | 27.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | | | trans | 92.6 | 95.6 | 159.5 | -170.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 483 | S | 27.7 | Very low | 31.2 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | | 66.3 | 163.3 | 125.5 | -53.5 | 0 | 0 | 0 | 0 | 125.3 | | |
| 484 | Y | 28.5 | Very low | 31.8 | Very low | 230 Ų | 230 | 133.3 Ų | 133.3 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | | | trans | 79.2 | 135.7 | 177.2 | -65.9 | -85.1 | 0 | 0 | 0 | 116.5 | | |
| 485 | A | 29.1 | Very low | 32 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | cis | -153.3 | 169.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 486 | F | 29.8 | Very low | 31.9 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | | | trans | -41.4 | 165.5 | 175.2 | -70.4 | -83 | 0 | 0 | 0 | 118.7 | S488 | F486-S488 WeakPolarHBondContact CD1-OG 3.29Å; F486-S488 WeakPolarHBondContact CE1-OG 3.48Å |
| 487 | P | 39.2 | Very low | 31.8 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | | | | -117.2 | 137.5 | 91.8 | 34.6 | -35 | 0 | 0 | 0 | 114.1 | | |
| 488 | S | 29.6 | Very low | 32.1 | Very low | 81 Ų | 81 | 139.7 Ų | 139.7 | 57% | 0.566 | 76% | 0.759 | S | S | * | * | | | trans | -95.4 | 144.4 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | F486 | F486-S488 WeakPolarHBondContact CD1-OG 3.29Å; F486-S488 WeakPolarHBondContact CE1-OG 3.48Å |
| 489 | L | 33.4 | Very low | 32 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -119.3 | 122.4 | 153.8 | -66 | 176 | 0 | 0 | 0 | 108.2 | | |
| 490 | L | 29.7 | Very low | 32.9 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | 27.4 | 131 | 141.7 | -50 | 176 | 0 | 0 | 0 | 117.9 | | |
| 491 | S | 28.6 | Very low | 33.8 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | cis | -167.1 | 158.8 | 11.7 | -171.9 | 0 | 0 | 0 | 0 | 112 | | |
| 492 | S | 32.7 | Very low | 34.2 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | 30.3 | 114.9 | 149 | 58.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 493 | D | 32.6 | Very low | 34.6 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | -65.2 | 153 | 147.1 | -165.6 | 36.9 | 0 | 0 | 0 | 109.6 | | |
| 494 | P | 44.8 | Very low | 35.1 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | | -149.1 | 162.3 | 75.6 | 35.5 | -13.2 | 0 | 0 | 0 | 118.2 | | |
| 495 | Q | 30.8 | Very low | 35.4 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | 131 | 103.2 | 133.2 | -66.4 | -160.1 | -25.2 | 0 | 0 | 119.5 | | |
| 496 | F | 30.3 | Very low | 35.7 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | | 70.6 | 122.1 | 126.7 | -71 | -56.3 | 0 | 0 | 0 | 124.7 | | |
| 497 | L | 29.3 | Very low | 36 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | 72.8 | 149.6 | 143.7 | -57.7 | 168.3 | 0 | 0 | 0 | 116.4 | | |
| 498 | I | 33.2 | Very low | 36.9 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | | | cis | -140.5 | 152.8 | 36.8 | -73.9 | 169.5 | 0 | 0 | 0 | 112.6 | | |
| 499 | S | 31.3 | Very low | 38 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | trans | -115.9 | 169.4 | 173.6 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 500 | P | 49.1 | Very low | 38.2 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | trans | -88.2 | 164 | -150.4 | 34.6 | -37.8 | 0 | 0 | 0 | 117.5 | | |
| 501 | P | 48.6 | Very low | 38.3 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | | | trans | -83.6 | 164.8 | 173.2 | 34.6 | -34.8 | 0 | 0 | 0 | 114.5 | | |
| 502 | P | 52.8 | Low | 39.2 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | trans | -133.1 | -162.9 | -134.3 | 44.3 | -28.8 | 0 | 0 | 0 | 117.7 | | |
| 503 | H | 36.1 | Very low | 39.1 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | trans | -115.2 | -179.6 | -177.9 | -71.3 | -99.5 | 0 | 0 | 0 | 113.9 | | |
| 504 | L | 37.5 | Very low | 39.1 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | 83.2 | 163 | 163.6 | -46.9 | 174.9 | 0 | 0 | 0 | 117.1 | | |
| 505 | S | 34.6 | Very low | 38.4 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | | | cis | -179.5 | -176.7 | -34.5 | -81.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 506 | H | 36.1 | Very low | 38.4 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | | | cis | -157.8 | 135.9 | -3 | -98.7 | -53.7 | 0 | 0 | 0 | 111.6 | | |
| 507 | H | 36.1 | Very low | 39.4 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | | | trans | 60.8 | -164.7 | 147.7 | -52.8 | -57.3 | 0 | 0 | 0 | 122.6 | | |
| 508 | P | 57.3 | Low | 39.4 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | | -124.4 | -144.2 | -100.8 | 43.4 | -24.2 | 0 | 0 | 0 | 113 | | |
| 509 | P | 52.9 | Low | 39.4 | Very low | 94 Ų | 94 | 138 Ų | 138 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | | | cis | -141.6 | -172 | -11.9 | 29.7 | -2.8 | 0 | 0 | 0 | 118.1 | | |
| 510 | H | 37.1 | Very low | 39.2 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | | | trans | 89.4 | 161.1 | 154.7 | -60.1 | -50.1 | 0 | 0 | 0 | 124 | | |
| 511 | L | 33.5 | Very low | 38.4 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | | | trans | -133.2 | 174.7 | -163.3 | -88 | 171.3 | 0 | 0 | 0 | 109.7 | | |
| 512 | P | 45.8 | Very low | 37.6 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | cis | -158 | -175.7 | 37.9 | 41.6 | -16.6 | 0 | 0 | 0 | 121.6 | | |
| 513 | T | 31.7 | Very low | 37.1 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | trans | 80 | 135.3 | 145.3 | 36.6 | 0 | 0 | 0 | 0 | 126.3 | | |
| 514 | Q | 32.5 | Very low | 36.8 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | | | trans | 65.4 | 121.8 | 145.9 | -64.1 | 173.2 | 100.8 | 0 | 0 | 119.3 | | |
| 515 | F | 29.9 | Very low | 36.7 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | | | | -164.5 | 170 | 57.1 | -101.3 | -77.7 | 0 | 0 | 0 | 113.9 | | |
| 516 | L | 31.5 | Very low | 37.2 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | | | trans | -122.2 | 174.8 | 166.5 | -88.1 | 170.8 | 0 | 0 | 0 | 108.7 | | |
| 517 | P | 50.1 | Low | 37.1 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | | | cis | -132.7 | -176.3 | 5.1 | 42.4 | -25.9 | 0 | 0 | 0 | 114.9 | | |
| 518 | F | 29 | Very low | 37.2 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | | -174.5 | 156.4 | 112.2 | -106.1 | -73.5 | 0 | 0 | 0 | 114.7 | | |
| 519 | Q | 33.1 | Very low | 36.2 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | -26.4 | 126.8 | 177 | -77.9 | -177.4 | 7.4 | 0 | 0 | 118.5 | | |
| 520 | T | 28.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 151.7 Ų | 151.7 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | | 61.6 | 119.7 | 80 | 67.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 521 | Q | 31.8 | Very low | 35.4 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | | -161.2 | 167.6 | 116.3 | -97.4 | -51.6 | -12.7 | 0 | 0 | 112.3 | | |
| 522 | Q | 32 | Very low | 35.3 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -111.5 | -163 | -170.8 | -73.2 | -83.3 | 10.6 | 0 | 0 | 111.7 | | |
| 523 | P | 41.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | | | | -130 | 157.4 | -57.1 | 33.9 | -18.3 | 0 | 0 | 0 | 116.3 | | |
| 524 | R | 31.1 | Very low | 34.5 | Very low | 234 Ų | 234 | 151.1 Ų | 151.1 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | 15.5 | 125.4 | 139.5 | -110.7 | -179.6 | 176.6 | 161.7 | -2.4 | 123.3 | | |
| 525 | S | 33.8 | Very low | 34.5 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | 72.9 | 178.4 | 125.5 | 71.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 526 | P | 47.1 | Very low | 34.7 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | | -137.6 | 170.7 | -65.6 | 40.2 | -24.7 | 0 | 0 | 0 | 114.6 | | |
| 527 | L | 33.8 | Very low | 34.9 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | | 172.1 | 166 | 129.6 | -99.9 | 166.3 | 0 | 0 | 0 | 114 | | |
| 528 | Q | 37.4 | Very low | 34 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | -93.3 | 140.6 | 174.4 | -59.5 | 141.4 | -81.8 | 0 | 0 | 111.7 | | |
| 529 | R | 36.3 | Very low | 34.1 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | | -155.1 | 130.8 | 127.8 | -158.9 | 162.7 | -65.1 | 114.1 | 1.8 | 109.8 | E531 | R529-E531 WeakPolarHBondContact CD-OE1 3.12Å; R529-E531 WeakPolarHBondContact CD-OE2 3.46Å; R529-E531 HydrophobicContact CG-CB 4.43Å; R529-E531 HydrophobicContact CG-CG 3.95Å |
| 530 | I | 41 | Very low | 34 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | -97.7 | 106.6 | 161.8 | -64 | 174.5 | 0 | 0 | 0 | 104.6 | | |
| 531 | E | 31.2 | Very low | 34.1 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | -118.4 | 150.3 | 169.7 | -99.1 | 166.5 | 170.8 | 0 | 0 | 109.5 | R529 | R529-E531 WeakPolarHBondContact CD-OE1 3.12Å; R529-E531 WeakPolarHBondContact CD-OE2 3.46Å; R529-E531 HydrophobicContact CG-CB 4.43Å; R529-E531 HydrophobicContact CG-CG 3.95Å |
| 532 | N | 31.5 | Very low | 34.6 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -64.9 | 146.6 | 172.7 | -168.6 | 77.3 | 0 | 0 | 0 | 109.6 | | |
| 533 | E | 29.3 | Very low | 34.6 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | | -166.7 | 155.7 | 126.2 | -92.5 | -46.5 | 77.3 | 0 | 0 | 109.5 | | |
| 534 | V | 31.3 | Very low | 34 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | | | trans | -116.2 | 129.4 | 174 | 165.5 | 0 | 0 | 0 | 0 | 107.1 | I536 | V534-I536 HydrophobicContact CG1-CD1 4.14Å; V534-I536 HydrophobicContact CG1-CG1 3.97Å |
| 535 | D | 33.5 | Very low | 33.9 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -111.5 | 136 | 174.1 | -130 | -37 | 0 | 0 | 0 | 110.9 | | |
| 536 | I | 33.1 | Very low | 33.7 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | -131.6 | 132.1 | -173.1 | -66.9 | 169.9 | 0 | 0 | 0 | 108.7 | V534 | V534-I536 HydrophobicContact CG1-CD1 4.14Å; V534-I536 HydrophobicContact CG1-CG1 3.97Å |
| 537 | V | 36.3 | Very low | 32.7 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | -126.2 | 131.5 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 538 | G | 31.5 | Very low | 32.5 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | 139.9 | 51.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 539 | E | 31.1 | Very low | 32 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | 23.8 | 117.5 | 151.2 | -55.6 | -172.9 | 108.5 | 0 | 0 | 121.5 | | |
| 540 | Q | 30.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | | 29.9 | 138.5 | 121.6 | -56.6 | -178.7 | 50.3 | 0 | 0 | 119.2 | | |
| 541 | L | 31 | Very low | 31 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | cis | -178.5 | -178.3 | 7.3 | -107.3 | 174.2 | 0 | 0 | 0 | 106.1 | | |
| 542 | P | 41 | Very low | 30.9 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | | | cis | -134.8 | -166 | -15.5 | 42.6 | -24.1 | 0 | 0 | 0 | 114.8 | | |
| 543 | V | 32.5 | Very low | 31 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | 69.8 | 110.8 | 156.2 | 178.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 544 | G | 29.8 | Very low | 31.2 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | | 88.3 | 156.5 | 120.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 545 | G | 29.7 | Very low | 31.5 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | 124.7 | 95.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 546 | S | 28.2 | Very low | 31.7 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | -69.4 | 140.6 | 169.3 | 47.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 547 | F | 26.8 | Very low | 31.9 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | 51.1 | 140.6 | 138 | -71.1 | -73.8 | 0 | 0 | 0 | 123.4 | | |
| 548 | S | 29.7 | Very low | 32.7 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | 87.5 | 101.9 | 143.6 | -64.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 549 | Y | 27.8 | Very low | 33.8 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | | | | 58.5 | 144 | 120.1 | -98.8 | -84.3 | 0 | 0 | 0 | 124.5 | | |
| 550 | A | 27 | Very low | 34.1 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | | | trans | 87.2 | 93.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 551 | H | 28.9 | Very low | 34.3 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | | | | 49.2 | 123.2 | 117.3 | -134.5 | -34.3 | 0 | 0 | 0 | 119.8 | | |
| 552 | H | 29.6 | Very low | 34.5 | Very low | 191 Ų | 191 | 137 Ų | 137 | 88% | 0.884 | 78% | 0.777 | S | S | * | * | | | trans | -135.7 | 172.9 | 153 | -111.1 | 54.4 | 0 | 0 | 0 | 112 | | |
| 553 | H | 31.9 | Very low | 35.1 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | -111.9 | 139.1 | -159.7 | -110.3 | -65.7 | 0 | 0 | 0 | 114.5 | | |
| 554 | H | 34.4 | Very low | 36.1 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | | | trans | 58.1 | 125.9 | 134 | -78.1 | -15.3 | 0 | 0 | 0 | 124.5 | | |
| 555 | H | 36.8 | Very low | 36.2 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | 95.6 | 149.9 | 126.9 | -93.8 | -79.5 | 0 | 0 | 0 | 123.1 | | |
| 556 | H | 39 | Very low | 36.5 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -86.4 | 172 | -174.1 | -75.9 | -96.5 | 0 | 0 | 0 | 114.1 | | |
| 557 | Q | 35.6 | Very low | 37.5 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -69.8 | 157.8 | -176.6 | -71.4 | 166.4 | -100.8 | 0 | 0 | 115.9 | | |
| 558 | P | 54 | Low | 37.7 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | trans | -93.9 | -157.8 | 166.8 | 45 | -39.7 | 0 | 0 | 0 | 109.8 | | |
| 559 | P | 55.5 | Low | 37.8 | Very low | 105 Ų | 105 | 143 Ų | 143 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | cis | -145.1 | 164 | 2.2 | 44.3 | -25.2 | 0 | 0 | 0 | 120 | | |
| 560 | S | 37.3 | Very low | 37.9 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | 48.5 | 134.1 | 134.6 | 70.9 | 0 | 0 | 0 | 0 | 124.9 | | |
| 561 | A | 33 | Very low | 37.9 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | | -148.9 | 166.4 | 122.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 562 | L | 35.2 | Very low | 37.8 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -144.3 | -165 | -165.9 | -71.7 | 174.2 | 0 | 0 | 0 | 110.5 | | |
| 563 | P | 53.6 | Low | 37.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | | -125.7 | -126.3 | -69.8 | 40.2 | -22.5 | 0 | 0 | 0 | 109.7 | | |
| 564 | P | 54.7 | Low | 37.7 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | | -120.1 | 172.1 | -56.8 | 37.8 | -23.9 | 0 | 0 | 0 | 113.8 | | |
| 565 | S | 32.7 | Very low | 37.5 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | | 168.9 | 155 | 123.3 | 47.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 566 | T | 34.3 | Very low | 38 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | | | trans | -140.9 | 157.9 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 567 | P | 49.8 | Very low | 37.6 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | | | | -156.8 | 155.3 | 83.8 | 40.4 | -19.8 | 0 | 0 | 0 | 119.2 | | |
| 568 | L | 31.9 | Very low | 37.3 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | 28.3 | 156.5 | 137.5 | -61.4 | 175 | 0 | 0 | 0 | 126 | | |
| 569 | Q | 31.4 | Very low | 36.2 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | 89 | 151.1 | 161.7 | -51.6 | -159.3 | 15.6 | 0 | 0 | 117.6 | | |
| 570 | F | 28.5 | Very low | 34.9 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | cis | 161.3 | 145.2 | -41.1 | -178.3 | -118.9 | 0 | 0 | 0 | 107.6 | | |
| 571 | L | 28.7 | Very low | 34.8 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | trans | 77.8 | 110.9 | 176.8 | -67.5 | 162.7 | 0 | 0 | 0 | 121.2 | | |
| 572 | S | 26 | Very low | 34.8 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | | | | 96.6 | 132.9 | 116.1 | -69.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 573 | H | 28.8 | Very low | 34.5 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | 55.6 | 129.4 | 160.9 | -58.3 | -63.3 | 0 | 0 | 0 | 117.4 | | |
| 574 | H | 30.9 | Very low | 33.8 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | | -161.7 | 164.5 | 63.2 | -84.2 | -88.2 | 0 | 0 | 0 | 112.4 | | |
| 575 | D | 29.6 | Very low | 33.1 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -150.1 | 144.3 | 169.6 | -173.7 | 41 | 0 | 0 | 0 | 106.8 | | |
| 576 | P | 47 | Very low | 32.9 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | | | | -152 | 166.9 | 89.5 | 42.4 | -24.2 | 0 | 0 | 0 | 117.3 | | |
| 577 | L | 30.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | trans | 79.5 | 139.7 | 161 | -51.6 | -174.3 | 0 | 0 | 0 | 117.3 | | |
| 578 | S | 30.3 | Very low | 32.9 | Very low | 90 Ų | 90 | 148 Ų | 148 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | cis | -169.8 | 151.6 | -7.7 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 579 | Q | 29.8 | Very low | 32.9 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | trans | 68.3 | 133.9 | 150.6 | -115.4 | 151.2 | -5.1 | 0 | 0 | 118.7 | | |
| 580 | D | 29.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | | | cis | -156.5 | 162.2 | -8.8 | -131.3 | -16 | 0 | 0 | 0 | 113.9 | | |
| 581 | L | 34.3 | Very low | 33.8 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | trans | 43.5 | 108.1 | 151.3 | -66.4 | 164.2 | 0 | 0 | 0 | 121.5 | | |
| 582 | F | 32.7 | Very low | 34 | Very low | 218 Ų | 218 | 152 Ų | 152 | 96% | 0.956 | 77% | 0.772 | S | S | * | * | | | | -166.1 | 115.7 | 124.4 | -104.7 | -64.7 | 0 | 0 | 0 | 111.5 | | |
| 583 | T | 29 | Very low | 34.3 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | -148.3 | 137.9 | 176.5 | -24.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 584 | L | 38.5 | Very low | 34.6 | Very low | 163 Ų | 163 | 158.6 Ų | 158.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -78 | 162.2 | 161.7 | -68 | 168.4 | 0 | 0 | 0 | 110 | | |
| 585 | P | 39.6 | Very low | 34.6 | Very low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | | | | -141.4 | 166.7 | 125.8 | 37.2 | -25 | 0 | 0 | 0 | 115.4 | | |
| 586 | Y | 30.4 | Very low | 34.8 | Very low | 220 Ų | 220 | 152.8 Ų | 152.8 | 86% | 0.863 | 78% | 0.78 | S | S | * | * | | | trans | -150.6 | 156.4 | 173.8 | -159.7 | -107.6 | 0 | 0 | 0 | 105.9 | | |
| 587 | P | 53.1 | Low | 34.1 | Very low | 73 Ų | 73 | 159.7 Ų | 159.7 | 47% | 0.474 | 79% | 0.792 | S | S | . | * | | | cis | -122.4 | -155.1 | -33.8 | 39.4 | -24.8 | 0 | 0 | 0 | 110.6 | | |
| 588 | H | 30.2 | Very low | 34.4 | Very low | 163 Ų | 163 | 164.3 Ų | 164.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | 146.3 | 125.7 | 130.1 | -76.4 | -64.4 | 0 | 0 | 0 | 112.1 | | |
| 589 | F | 32.3 | Very low | 34.4 | Very low | 206 Ų | 206 | 170.3 Ų | 170.3 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | | | | 175.3 | 144.3 | 126.8 | -105.1 | -72.5 | 0 | 0 | 0 | 112.7 | | |
| 590 | M | 34.3 | Very low | 34.7 | Very low | 176 Ų | 176 | 172.8 Ų | 172.8 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -145.3 | 141.5 | 165.9 | -89.7 | -112.9 | 175.1 | 0 | 0 | 104.9 | | |
| 591 | P | 44.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 172 Ų | 172 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | | | | -161.9 | 165.7 | 80.5 | 38.9 | -17.8 | 0 | 0 | 0 | 118.2 | | |
| 592 | R | 32.3 | Very low | 34.9 | Very low | 247 Ų | 247 | 173.7 Ų | 173.7 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | | | | 171.3 | 174.6 | 116.6 | -95.2 | -166.1 | 174.6 | -142.7 | -0.9 | 113.8 | | |
| 593 | R | 33.1 | Very low | 34.8 | Very low | 208 Ų | 208 | 172.5 Ų | 172.5 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | | | trans | -116.1 | 150.6 | -169.6 | -47.3 | 170.1 | -174 | 169.8 | -0.1 | 111.3 | | |
| 594 | F | 35.2 | Very low | 35 | Very low | 181 Ų | 181 | 170.7 Ų | 170.7 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | | 157.1 | 153.7 | 110.3 | -96.1 | -66.4 | 0 | 0 | 0 | 116.1 | | |
| 595 | A | 30.3 | Very low | 35.1 | Very low | 90 Ų | 90 | 169.1 Ų | 169.1 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | | | trans | 68.2 | 114.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 596 | S | 32.4 | Very low | 35.2 | Very low | 119 Ų | 119 | 168.2 Ų | 168.2 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -6.9 | 132.9 | 146.8 | -53.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 597 | R | 34.1 | Very low | 35.5 | Very low | 249 Ų | 249 | 163.5 Ų | 163.5 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | | | | -140.2 | 140.2 | 128.2 | -96.1 | -176.4 | -170.9 | -96.4 | -2.8 | 110.5 | | |
| 598 | R | 36 | Very low | 34.9 | Very low | 250 Ų | 250 | 164.6 Ų | 164.6 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | | | trans | -84.4 | 134.8 | 163.3 | -54.1 | -179.7 | -165 | 168.2 | 4.8 | 107.7 | | |
| 599 | Y | 29.5 | Very low | 35.7 | Very low | 215 Ų | 215 | 162.6 Ų | 162.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | | | trans | -138.7 | 128.9 | 153.2 | -166.4 | -105.1 | 0 | 0 | 0 | 109.3 | | |
| 600 | R | 36.8 | Very low | 36.1 | Very low | 224 Ų | 224 | 163.6 Ų | 163.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | -108.2 | 94.5 | -178.9 | -176.7 | -176.8 | -170.8 | 169 | 2.9 | 107.6 | | |
| 601 | S | 30.9 | Very low | 36.5 | Very low | 98 Ų | 98 | 162.4 Ų | 162.4 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | trans | -85.8 | 139.3 | 164.9 | -161.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 602 | Q | 37.6 | Very low | 36.7 | Very low | 175 Ų | 175 | 162.1 Ų | 162.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -96.9 | 140.6 | 172.6 | -60.7 | -168 | 66.4 | 0 | 0 | 109.3 | | |
| 603 | Q | 31.5 | Very low | 37.4 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -143.9 | 125 | 160.1 | -159.8 | 156.5 | 5.9 | 0 | 0 | 109.1 | | |
| 604 | A | 33 | Very low | 38.5 | Very low | 97 Ų | 97 | 151 Ų | 151 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79 | 142.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 605 | V | 39.4 | Very low | 39.4 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 128.4 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 606 | P | 41.4 | Very low | 40.6 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 144.3 | 176.2 | 29.1 | -34.4 | 0 | 0 | 0 | 110.9 | | |
| 607 | P | 38 | Very low | 41.9 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 146.3 | 174.7 | 29.5 | -34.3 | 0 | 0 | 0 | 111.3 | | |
| 608 | S | 39.4 | Very low | 42.9 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 142.1 | 171.8 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | Y610 | S608-Y610 PolarHBondContact O-N 3.43Š|
| 609 | P | 47.2 | Very low | 43.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 136.6 | 169 | 26.7 | -34 | 0 | 0 | 0 | 110.3 | | |
| 610 | Y | 40.2 | Very low | 45 | Very low | 227 Ų | 227 | 132.8 Ų | 132.8 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 134.9 | 171.8 | -83.3 | -112.9 | 0 | 0 | 0 | 109.7 | S608 | S608-Y610 PolarHBondContact O-N 3.43Š|
| 611 | H | 44.4 | Very low | 46.1 | Very low | 152 Ų | 152 | 128 Ų | 128 | 70% | 0.704 | 70% | 0.701 | S | S | * | * | | | trans | -102.5 | 115.6 | 167.3 | -155.5 | -59.6 | 0 | 0 | 0 | 108.6 | F614 | H611-F614 AromaticContact CE1-CE2 3.81Š|
| 612 | P | 47.6 | Very low | 47.5 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | | | trans | -67.4 | 155.1 | 172.9 | 29 | -33.5 | 0 | 0 | 0 | 110.3 | | |
| 613 | S | 47 | Very low | 48.1 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | | | trans | -72.1 | 145 | 175.7 | 43.2 | 0 | 0 | 0 | 0 | 111.2 | L615 P616 | S613-L615 VanDerWaalsContact C-N 3.32Å; S613-L615 PolarHBondContact O-N 1.95Å; S613-P616 VanDerWaalsContact O-CD 3.3Å; S613-P616 WeakPolarHBondContact O-CD 3.47Å; S613-P616 WeakPolarHBondContact O-CG 3.47Å |
| 614 | F | 55.9 | Low | 49.3 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 60% | 0.596 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.3 | -24.1 | -171.9 | -83.5 | -91.5 | 0 | 0 | 0 | 115 | H611 Y617 F618 | H611-F614 AromaticContact CE1-CE2 3.81Å; F614-Y617 PolarHBondContact O-N 2.88Å; F614-F618 HydrophobicContact CB-CD2 4.43Å; F614-F618 HydrophobicContact CD1-CE2 4.12Å; F614-F618 PolarHBondContact O-N 3.4Å; F614-F618 VanDerWaalsContact O-N 3.13Å |
| 615 | L | 54.5 | Low | 50.2 | Low | 143 Ų | 143 | 123.5 Ų | 123.5 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -61.5 | -52 | -173.6 | -71.4 | 170.3 | 0 | 0 | 0 | 114.6 | S613 Y617 F618 L619 | S613-L615 VanDerWaalsContact C-N 3.32Å; S613-L615 PolarHBondContact O-N 1.95Å; L615-Y617 VanDerWaalsContact C-N 3.28Å; L615-Y617 PolarHBondContact O-N 3.26Å; L615-F618 PolarHBondContact O-N 2.99Å; L615-L619 PolarHBondContact O-N 3.28Å |
| 616 | P | 56.6 | Low | 50.9 | Low | 79 Ų | 79 | 123.9 Ų | 123.9 | 51% | 0.513 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -60.4 | -35.7 | 175.3 | 22.1 | -34.4 | 0 | 0 | 0 | 113.1 | S613 L619 S620 | S613-P616 VanDerWaalsContact O-CD 3.3Å; S613-P616 WeakPolarHBondContact O-CD 3.47Å; S613-P616 WeakPolarHBondContact O-CG 3.47Å; P616-L619 PolarHBondContact O-N 3.05Å; P616-S620 PolarHBondContact O-N 3.19Å; P616-S620 PolarHBondContact O-OG 3.15Å |
| 617 | Y | 59.7 | Low | 51.5 | Low | 142 Ų | 142 | 125.7 Ų | 125.7 | 56% | 0.557 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.8 | -41.4 | -179.3 | -173 | -101.1 | 0 | 0 | 0 | 112.6 | F614 L615 L619 S620 M621 | F614-Y617 PolarHBondContact O-N 2.88Å; L615-Y617 VanDerWaalsContact C-N 3.28Å; L615-Y617 PolarHBondContact O-N 3.26Å; Y617-L619 VanDerWaalsContact C-N 3.29Å; Y617-L619 PolarHBondContact O-N 3Å; Y617-S620 WeakPolarHBondContact CA-OG 3.23Å; Y617-S620 PolarHBondContact O-N 2.99Å; Y617-S620 PolarHBondContact O-OG 3.03Å; Y617-M621 HydrophobicContact CD1-CG 4.49Å; Y617-M621 HydrophobicContact CE1-CG 4.16Å; Y617-M621 WeakPolarHBondContact O-CG 3.11Å |
| 618 | F | 54.3 | Low | 52 | Low | 145 Ų | 145 | 126.1 Ų | 126.1 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.1 | -31.1 | 176.2 | -93.4 | -78.6 | 0 | 0 | 0 | 113.3 | F614 L615 M621 | F614-F618 HydrophobicContact CB-CD2 4.43Å; F614-F618 HydrophobicContact CD1-CE2 4.12Å; F614-F618 PolarHBondContact O-N 3.4Å; F614-F618 VanDerWaalsContact O-N 3.13Å; L615-F618 PolarHBondContact O-N 2.99Å; F618-M621 PolarHBondContact O-N 2.75Å |
| 619 | L | 55.5 | Low | 52 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.6 | -33.3 | 174.8 | -65.5 | 173.8 | 0 | 0 | 0 | 112.2 | L615 P616 Y617 M621 L622 | L615-L619 PolarHBondContact O-N 3.28Å; P616-L619 PolarHBondContact O-N 3.05Å; Y617-L619 VanDerWaalsContact C-N 3.29Å; Y617-L619 PolarHBondContact O-N 3Å; L619-M621 PolarHBondContact O-N 3.45Å; L619-L622 HydrophobicContact CD2-CD1 4.43Å |
| 620 | S | 55 | Low | 51.8 | Low | 85 Ų | 85 | 125.5 Ų | 125.5 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -5.3 | 176 | 53.7 | 0 | 0 | 0 | 0 | 115.5 | P616 Y617 | P616-S620 PolarHBondContact O-N 3.19Å; P616-S620 PolarHBondContact O-OG 3.15Å; Y617-S620 WeakPolarHBondContact CA-OG 3.23Å; Y617-S620 PolarHBondContact O-N 2.99Å; Y617-S620 PolarHBondContact O-OG 3.03Å |
| 621 | M | 58.6 | Low | 51.9 | Low | 122 Ų | 122 | 120.8 Ų | 120.8 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 9.2 | -176.2 | -65.3 | -66.1 | -68.8 | 0 | 0 | 113.7 | Y617 F618 L619 | Y617-M621 HydrophobicContact CD1-CG 4.49Å; Y617-M621 HydrophobicContact CE1-CG 4.16Å; Y617-M621 WeakPolarHBondContact O-CG 3.11Å; F618-M621 PolarHBondContact O-N 2.75Å; L619-M621 PolarHBondContact O-N 3.45Å |
| 622 | L | 60.1 | Low | 51.9 | Low | 119 Ų | 119 | 120.7 Ų | 120.7 | 62% | 0.623 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -88.5 | 123.5 | 177.1 | -69 | 170.4 | 0 | 0 | 0 | 110.8 | L619 V624 | L619-L622 HydrophobicContact CD2-CD1 4.43Å; L622-V624 PolarHBondContact O-N 3.39Å |
| 623 | P | 51.2 | Low | 51.6 | Low | 127 Ų | 127 | 120 Ų | 120 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 119.1 | 176.8 | -20.9 | 33.3 | 0 | 0 | 0 | 111.9 | | |
| 624 | V | 57.3 | Low | 51.5 | Low | 126 Ų | 126 | 123.5 Ų | 123.5 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 128.1 | 173 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | L622 | L622-V624 PolarHBondContact O-N 3.39Š|
| 625 | P | 51.4 | Low | 50.9 | Low | 97 Ų | 97 | 124.6 Ų | 124.6 | 63% | 0.63 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 136.1 | 177.3 | 28.2 | -34 | 0 | 0 | 0 | 111.1 | N627 | P625-N627 VanDerWaalsContact C-N 3.25Å; P625-N627 PolarHBondContact O-N 3.23Å |
| 626 | P | 52.8 | Low | 50.3 | Low | 138 Ų | 138 | 125 Ų | 125 | 90% | 0.896 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -83.2 | 49.5 | -167.3 | 35.2 | -38.8 | 0 | 0 | 0 | 114.1 | | |
| 627 | N | 53.9 | Low | 49.6 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -156.6 | 55.1 | 168.6 | -164.6 | 18.9 | 0 | 0 | 0 | 115.4 | P625 | P625-N627 VanDerWaalsContact C-N 3.25Å; P625-N627 PolarHBondContact O-N 3.23Å |
| 628 | V | 50.4 | Low | 49.3 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | | | trans | -164.7 | 109 | 140.4 | -100.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 629 | A | 38.1 | Very low | 49.2 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | | | trans | -120 | 104.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | T631 | A629-T631 PolarHBondContact O-N 3.36Š|
| 630 | P | 44.1 | Very low | 49.1 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | -67.5 | 117.2 | 155.2 | 29.6 | -30.1 | 0 | 0 | 0 | 107 | I632 | P630-I632 PolarHBondContact O-N 3.31Š|
| 631 | T | 41.8 | Very low | 49.1 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | trans | -69.1 | 105.2 | 175.6 | 49.2 | 0 | 0 | 0 | 0 | 108.8 | A629 S633 | A629-T631 PolarHBondContact O-N 3.36Å; T631-S633 PolarHBondContact O-N 3.29Å |
| 632 | I | 45 | Very low | 49 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -74.6 | 74.2 | 175.3 | -36.6 | 176.2 | 0 | 0 | 0 | 108.4 | P630 L634 | P630-I632 PolarHBondContact O-N 3.31Å; I632-L634 PolarHBondContact O-N 3.19Å |
| 633 | S | 40.4 | Very low | 48.7 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | -69.9 | 111.5 | 171.2 | -159.1 | 0 | 0 | 0 | 0 | 107.6 | T631 E635 | T631-S633 PolarHBondContact O-N 3.29Å; S633-E635 PolarHBondContact O-N 3.31Å |
| 634 | L | 45.6 | Very low | 49.1 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | | | trans | -81.2 | 54.5 | 171.5 | -73.8 | 171.4 | 0 | 0 | 0 | 110.2 | I632 | I632-L634 PolarHBondContact O-N 3.19Š|
| 635 | E | 43 | Very low | 50 | Low | 159 Ų | 159 | 128.3 Ų | 128.3 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | -91 | 96.5 | 166.3 | -167.8 | 155.2 | -144 | 0 | 0 | 106.1 | S633 D637 | S633-E635 PolarHBondContact O-N 3.31Å; E635-D637 PolarHBondContact O-N 3.13Å |
| 636 | L | 41.4 | Very low | 51.4 | Low | 153 Ų | 153 | 131 Ų | 131 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | | | trans | -76.7 | 73.8 | 177.7 | -77.1 | 165.6 | 0 | 0 | 0 | 109.3 | V638 | L636-V638 PolarHBondContact O-N 3.19Š|
| 637 | D | 42.5 | Very low | 53.1 | Low | 141 Ų | 141 | 129.1 Ų | 129.1 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | | | trans | -66 | 116.5 | 158.8 | -151.8 | -94.9 | 0 | 0 | 0 | 107.2 | E635 D639 | E635-D637 PolarHBondContact O-N 3.13Å; D637-D639 PolarHBondContact O-N 3.24Å |
| 638 | V | 53.6 | Low | 54.7 | Low | 138 Ų | 138 | 124.6 Ų | 124.6 | 84% | 0.836 | 69% | 0.694 | S | S | * | * | | | trans | -88.2 | 70.5 | -175.6 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | L636 | L636-V638 PolarHBondContact O-N 3.19Š|
| 639 | D | 50.8 | Low | 56.3 | Low | 137 Ų | 137 | 123 Ų | 123 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | | | trans | -70.9 | 154.9 | 165.5 | -168 | -144.9 | 0 | 0 | 0 | 110.1 | D637 G641 | D637-D639 PolarHBondContact O-N 3.24Å; D639-G641 PolarHBondContact O-N 3.21Å |
| 640 | D | 53.5 | Low | 58.6 | Low | 161 Ų | 161 | 122.2 Ų | 122.2 | 86% | 0.861 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -78.5 | 39.9 | -161.6 | -143.2 | -113.5 | 0 | 0 | 0 | 113.8 | | |
| 641 | G | 55.8 | Low | 60.6 | Low | 41 Ų | 41 | 120.6 Ų | 120.6 | 42% | 0.423 | 65% | 0.649 | S | S | . | * | | | trans | -102.9 | 29.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | D639 V643 | D639-G641 PolarHBondContact O-N 3.21Å; G641-V643 PolarHBondContact O-N 3.19Å |
| 642 | E | 56.2 | Low | 62.7 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 83% | 0.832 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.1 | -10.7 | 177.4 | -66.2 | -155.2 | 141.7 | 0 | 0 | 113.7 | | |
| 643 | V | 54.2 | Low | 64.5 | Low | 102 Ų | 102 | 114.3 Ų | 114.3 | 62% | 0.618 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.3 | -47.8 | -174.3 | -178 | 0 | 0 | 0 | 0 | 112.6 | G641 N645 Y646 E647 | G641-V643 PolarHBondContact O-N 3.19Å; V643-N645 PolarHBondContact O-N 2.84Å; V643-N645 VanDerWaalsContact O-N 3.16Å; V643-Y646 PolarHBondContact O-N 3.26Å; V643-E647 PolarHBondContact O-N 3.2Å |
| 644 | E | 58.6 | Low | 66.7 | Low | 139 Ų | 139 | 117.7 Ų | 117.7 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.3 | -33 | 179 | -82.9 | 73.1 | -172.3 | 0 | 0 | 112.6 | A648 | E644-A648 WeakPolarHBondContact O-CB 3.44Å; E644-A648 PolarHBondContact O-N 3.42Å |
| 645 | N | 77.4 | Confident | 68.6 | Low | 106 Ų | 106 | 120.3 Ų | 120.3 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67 | -43.5 | -178.5 | -173.5 | 27.9 | 0 | 0 | 0 | 112.1 | V643 L649 | V643-N645 PolarHBondContact O-N 2.84Å; V643-N645 VanDerWaalsContact O-N 3.16Å; N645-L649 WeakPolarHBondContact O-CB 3.45Å; N645-L649 VanDerWaalsContact O-CG 3.25Å; N645-L649 WeakPolarHBondContact O-CG 3.28Å; N645-L649 PolarHBondContact O-N 3.01Å |
| 646 | Y | 81.3 | Confident | 70.4 | Confident | 153 Ų | 153 | 119.3 Ų | 119.3 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.2 | -41.9 | -179.3 | -173.4 | -107.2 | 0 | 0 | 0 | 112 | V643 L649 L650 | V643-Y646 PolarHBondContact O-N 3.26Å; Y646-L649 PolarHBondContact O-N 3.29Å; Y646-L650 HydrophobicContact CD1-CD1 3.85Å; Y646-L650 HydrophobicContact CE1-CD1 3.39Å; Y646-L650 HydrophobicContact CE1-CG 4.15Å; Y646-L650 PolarHBondContact O-N 3.49Å |
| 647 | E | 88.5 | Confident | 72.1 | Confident | 99 Ų | 99 | 113.8 Ų | 113.8 | 46% | 0.463 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.3 | -40.5 | 174 | -75.6 | -60.1 | 144.3 | 0 | 0 | 111.9 | V643 L649 L650 N651 | V643-E647 PolarHBondContact O-N 3.2Å; E647-L649 VanDerWaalsContact C-N 3.33Å; E647-L649 PolarHBondContact O-N 2.89Å; E647-L650 PolarHBondContact O-N 3.12Å; E647-N651 WeakPolarHBondContact O-CB 3.37Å; E647-N651 PolarHBondContact O-N 2.38Å; E647-N651 PolarHBondContact O-ND2 3.42Å |
| 648 | A | 86.2 | Confident | 73.5 | Confident | 52 Ų | 52 | 116.3 Ų | 116.3 | 43% | 0.43 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.8 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E644 L652 | E644-A648 WeakPolarHBondContact O-CB 3.44Å; E644-A648 PolarHBondContact O-N 3.42Å; A648-L652 WeakPolarHBondContact O-CB 3.4Å; A648-L652 WeakPolarHBondContact O-CG 3.4Å; A648-L652 PolarHBondContact O-N 3.37Å |
| 649 | L | 85.1 | Confident | 74.2 | Confident | 96 Ų | 96 | 114.5 Ų | 114.5 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.6 | -37.6 | 176.3 | -73.4 | 169.1 | 0 | 0 | 0 | 112.8 | N645 Y646 E647 L652 A653 | N645-L649 WeakPolarHBondContact O-CB 3.45Å; N645-L649 VanDerWaalsContact O-CG 3.25Å; N645-L649 WeakPolarHBondContact O-CG 3.28Å; N645-L649 PolarHBondContact O-N 3.01Å; Y646-L649 PolarHBondContact O-N 3.29Å; E647-L649 VanDerWaalsContact C-N 3.33Å; E647-L649 PolarHBondContact O-N 2.89Å; L649-L652 PolarHBondContact O-N 2.79Å; L649-A653 WeakPolarHBondContact O-CB 3.39Å; L649-A653 PolarHBondContact O-N 3.4Å |
| 650 | L | 85 | Confident | 74.9 | Confident | 74 Ų | 74 | 115.5 Ų | 115.5 | 39% | 0.387 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.1 | -48 | 172.3 | -85.6 | 171.5 | 0 | 0 | 0 | 111.8 | Y646 E647 L652 A653 E654 | Y646-L650 HydrophobicContact CD1-CD1 3.85Å; Y646-L650 HydrophobicContact CE1-CD1 3.39Å; Y646-L650 HydrophobicContact CE1-CG 4.15Å; Y646-L650 PolarHBondContact O-N 3.49Å; E647-L650 PolarHBondContact O-N 3.12Å; L650-L652 VanDerWaalsContact C-N 3.26Å; L650-L652 PolarHBondContact O-N 3.08Å; L650-A653 PolarHBondContact O-N 3.02Å; L650-A653 VanDerWaalsContact O-N 3.07Å; L650-E654 PolarHBondContact O-N 2.56Å |
| 651 | N | 87.4 | Confident | 75.7 | Confident | 79 Ų | 79 | 111.8 Ų | 111.8 | 42% | 0.422 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.2 | -35.1 | 175.6 | -82.7 | -93.4 | 0 | 0 | 0 | 111.8 | E647 R655 | E647-N651 WeakPolarHBondContact O-CB 3.37Å; E647-N651 PolarHBondContact O-N 2.38Å; E647-N651 PolarHBondContact O-ND2 3.42Å; N651-R655 VanDerWaalsContact O-CB 3.24Å; N651-R655 WeakPolarHBondContact O-CB 3.3Å; N651-R655 WeakPolarHBondContact O-CD 3.29Å; N651-R655 WeakPolarHBondContact O-CG 3.2Å; N651-R655 PolarHBondContact O-N 2.41Å |
| 652 | L | 84.7 | Confident | 77 | Confident | 92 Ų | 92 | 120.2 Ų | 120.2 | 48% | 0.482 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.7 | -45.7 | 170.4 | -87.6 | 162.9 | 0 | 0 | 0 | 112 | A648 L649 L650 E654 R655 L656 | A648-L652 WeakPolarHBondContact O-CB 3.4Å; A648-L652 WeakPolarHBondContact O-CG 3.4Å; A648-L652 PolarHBondContact O-N 3.37Å; L649-L652 PolarHBondContact O-N 2.79Å; L650-L652 VanDerWaalsContact C-N 3.26Å; L650-L652 PolarHBondContact O-N 3.08Å; L652-E654 PolarHBondContact O-N 3.46Å; L652-R655 PolarHBondContact O-N 2.75Å; L652-L656 VanDerWaalsContact O-CB 3.26Å; L652-L656 WeakPolarHBondContact O-CB 3.32Å; L652-L656 WeakPolarHBondContact O-CD1 3.47Å; L652-L656 WeakPolarHBondContact O-CG 3.28Å; L652-L656 PolarHBondContact O-N 3.03Å |
| 653 | A | 84.4 | Confident | 78.7 | Confident | 55 Ų | 55 | 112 Ų | 112 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.7 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L649 L650 G657 | L649-A653 WeakPolarHBondContact O-CB 3.39Å; L649-A653 PolarHBondContact O-N 3.4Å; L650-A653 PolarHBondContact O-N 3.02Å; L650-A653 VanDerWaalsContact O-N 3.07Å; A653-G657 CarbonylContact O-C 3.3Å; A653-G657 WeakPolarHBondContact O-CA 3.04Å; A653-G657 PolarHBondContact O-N 2.56Å |
| 654 | E | 86.3 | Confident | 80.6 | Confident | 158 Ų | 158 | 107.5 Ų | 107.5 | 74% | 0.738 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.2 | -44.3 | 175 | -174.5 | 169.8 | -154.5 | 0 | 0 | 111.6 | L650 L652 L656 G657 | L650-E654 PolarHBondContact O-N 2.56Å; L652-E654 PolarHBondContact O-N 3.46Å; E654-L656 VanDerWaalsContact C-N 3.35Å; E654-L656 PolarHBondContact O-N 3.09Å; E654-G657 PolarHBondContact O-N 3.1Å |
| 655 | R | 84.1 | Confident | 82.3 | Confident | 213 Ų | 213 | 104.3 Ų | 104.3 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70 | -26.8 | 178.1 | -71.8 | 170.6 | 62.4 | 173 | 0.2 | 114.2 | N651 L652 | N651-R655 VanDerWaalsContact O-CB 3.24Å; N651-R655 WeakPolarHBondContact O-CB 3.3Å; N651-R655 WeakPolarHBondContact O-CD 3.29Å; N651-R655 WeakPolarHBondContact O-CG 3.2Å; N651-R655 PolarHBondContact O-N 2.41Å; L652-R655 PolarHBondContact O-N 2.75Å |
| 656 | L | 80.9 | Confident | 83.1 | Confident | 139 Ų | 139 | 105.3 Ų | 105.3 | 73% | 0.728 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -85.9 | -20.6 | 172.4 | -67.8 | 169.2 | 0 | 0 | 0 | 112.3 | L652 E654 | L652-L656 VanDerWaalsContact O-CB 3.26Å; L652-L656 WeakPolarHBondContact O-CB 3.32Å; L652-L656 WeakPolarHBondContact O-CD1 3.47Å; L652-L656 WeakPolarHBondContact O-CG 3.28Å; L652-L656 PolarHBondContact O-N 3.03Å; E654-L656 VanDerWaalsContact C-N 3.35Å; E654-L656 PolarHBondContact O-N 3.09Å |
| 657 | G | 78.4 | Confident | 83.7 | Confident | 37 Ų | 37 | 100.4 Ų | 100.4 | 38% | 0.381 | 53% | 0.527 | S | S | . | . | | | trans | 71 | 179.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | A653 E654 A659 | A653-G657 CarbonylContact O-C 3.3Å; A653-G657 WeakPolarHBondContact O-CA 3.04Å; A653-G657 PolarHBondContact O-N 2.56Å; E654-G657 PolarHBondContact O-N 3.1Å; G657-A659 PolarHBondContact O-N 3.26Å |
| 658 | E | 71.4 | Confident | 84 | Confident | 194 Ų | 194 | 98 Ų | 98 | 91% | 0.907 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -56.2 | 127.7 | 164 | -72.5 | -169.4 | 177 | 0 | 0 | 109.3 | K660 | E658-K660 VanDerWaalsContact C-N 3.3Å; E658-K660 PolarHBondContact O-N 3.23Å |
| 659 | A | 68.9 | Low | 84.5 | Confident | 99 Ų | 99 | 95.6 Ų | 95.6 | 82% | 0.818 | 50% | 0.497 | S | S | * | . | | | trans | -65.4 | 87 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G657 | G657-A659 PolarHBondContact O-N 3.26Š|
| 660 | K | 64.7 | Low | 85 | Confident | 158 Ų | 158 | 96 Ų | 96 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | | | trans | -44.7 | 122.4 | -175.8 | -174.8 | 176.1 | -178.5 | 179.8 | 0 | 109.6 | E658 R662 | E658-K660 VanDerWaalsContact C-N 3.3Å; E658-K660 PolarHBondContact O-N 3.23Å; K660-R662 PolarHBondContact O-N 3.07Å |
| 661 | P | 70.2 | Confident | 85.5 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | | | trans | -56.2 | 130.5 | -170.8 | 16.2 | -28.6 | 0 | 0 | 0 | 110.8 | G663 R724 | P661-G663 PolarHBondContact O-N 2.79Å; P661-G663 VanDerWaalsContact O-N 3.08Å; P661-G663 VanDerWaalsContact O-O 3.11Å; P661-R724 PolarHBondContact O-NH1 2.88Å |
| 662 | R | 83.6 | Confident | 85.9 | Confident | 219 Ų | 219 | 97 Ų | 97 | 83% | 0.826 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -59.1 | -24 | -171.3 | -72.1 | -85.5 | -179.3 | 152.3 | -3.3 | 113.3 | K660 A722 N723 R724 | K660-R662 PolarHBondContact O-N 3.07Å; R662-A722 CarbonylContact C-O 3.59Å; R662-A722 WeakPolarHBondContact CB-O 3.25Å; R662-A722 CarbonylContact O-C 3.59Å; R662-N723 CarbonylContact O-C 3.37Å; R662-N723 VanDerWaalsContact O-C 3.3Å; R662-N723 WeakPolarHBondContact O-CA 3.45Å; R662-R724 VanDerWaalsContact O-CG 3.31Å; R662-R724 WeakPolarHBondContact O-CG 3.08Å; R662-R724 PolarHBondContact O-N 3.2Å |
| 663 | G | 92.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 96.7 Ų | 96.7 | 4% | 0.041 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -119.1 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P661 L720 R724 | P661-G663 PolarHBondContact O-N 2.79Å; P661-G663 VanDerWaalsContact O-N 3.08Å; P661-G663 VanDerWaalsContact O-O 3.11Å; G663-L720 CarbonylContact C-O 3.55Å; G663-L720 WeakPolarHBondContact CA-O 3.26Å; G663-R724 PolarHBondContact O-NH1 2.78Å |
| 664 | L | 93.2 | Very high | 87.1 | Confident | 9 Ų | 9 | 96.9 Ų | 96.9 | 5% | 0.047 | 50% | 0.498 | C | S | . | . | | | trans | -68.2 | 157.7 | 169.5 | -84.1 | 63.2 | 0 | 0 | 0 | 110.8 | D668 I669 L672 L720 R724 A733 | L664-D668 HydrophobicContact CB-CB 4.2Å; L664-D668 HydrophobicContact CD2-CB 4.11Å; L664-D668 HydrophobicContact CG-CB 4.24Å; L664-I669 HydrophobicContact CB-CD1 4.07Å; L664-I669 HydrophobicContact CB-CG1 3.62Å; L664-I669 HydrophobicContact CD2-CG1 4.2Å; L664-L672 HydrophobicContact CD2-CD1 4.35Å; L664-L720 PolarHBondContact N-O 3.16Å; L664-R724 HydrophobicContact CD1-CB 3.68Å; L664-R724 HydrophobicContact CD1-CG 4.02Å; L664-A733 HydrophobicContact CD2-CB 4.31Å |
| 665 | T | 93.9 | Very high | 87.6 | Confident | 71 Ų | 71 | 93.1 Ų | 93.1 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | | | trans | -71 | 162.3 | 169.2 | 93.2 | 0 | 0 | 0 | 0 | 110.8 | A667 D668 I669 | T665-A667 PolarHBondContact O-N 3.3Å; T665-A667 PolarHBondContact OG1-N 3Å; T665-D668 WeakPolarHBondContact CG2-OD2 3.37Å; T665-D668 PolarHBondContact N-OD2 2.78Å; T665-D668 PolarHBondContact O-N 3.13Å; T665-D668 PolarHBondContact OG1-N 2.89Å; T665-D668 PolarHBondContact OG1-OD1 3.2Å; T665-D668 PolarHBondContact OG1-OD2 2.92Å; T665-I669 VanDerWaalsContact O-CG1 3.28Å; T665-I669 WeakPolarHBondContact O-CG1 3.18Å; T665-I669 PolarHBondContact O-N 2.81Å; T665-I669 VanDerWaalsContact O-N 3.1Å |
| 666 | K | 94 | Very high | 88.2 | Confident | 128 Ų | 128 | 91 Ų | 91 | 56% | 0.557 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -56.9 | -36.3 | 174.7 | -179.1 | -179.2 | 176.9 | -70.8 | 0 | 112 | E670 | K666-E670 WeakPolarHBondContact CE-OE1 3.08Å; K666-E670 IonicContact NZ-OE1 3.64Å; K666-E670 PolarHBondContact NZ-OE1 3.49Å; K666-E670 IonicContact NZ-OE2 2.67Å; K666-E670 PolarHBondContact NZ-OE2 3.43Å; K666-E670 WeakPolarHBondContact O-CB 3.5Å; K666-E670 VanDerWaalsContact O-CG 3.31Å; K666-E670 WeakPolarHBondContact O-CG 3.47Å; K666-E670 PolarHBondContact O-N 2.81Å |
| 667 | A | 94.8 | Very high | 89 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.8 | -48.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | T665 I669 E670 Q671 | T665-A667 PolarHBondContact O-N 3.3Å; T665-A667 PolarHBondContact OG1-N 3Å; A667-I669 VanDerWaalsContact C-N 3.29Å; A667-I669 PolarHBondContact O-N 2.96Å; A667-E670 PolarHBondContact O-N 3.31Å; A667-E670 VanDerWaalsContact O-N 3.08Å; A667-Q671 WeakPolarHBondContact O-CG 3.39Å; A667-Q671 PolarHBondContact O-N 2.87Å |
| 668 | D | 94.6 | Very high | 89.9 | Confident | 47 Ų | 47 | 87 Ų | 87 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 177.8 | -23.3 | -24.2 | 0 | 0 | 0 | 110.4 | L664 T665 E670 Q671 R724 | L664-D668 HydrophobicContact CB-CB 4.2Å; L664-D668 HydrophobicContact CD2-CB 4.11Å; L664-D668 HydrophobicContact CG-CB 4.24Å; T665-D668 WeakPolarHBondContact CG2-OD2 3.37Å; T665-D668 PolarHBondContact N-OD2 2.78Å; T665-D668 PolarHBondContact O-N 3.13Å; T665-D668 PolarHBondContact OG1-N 2.89Å; T665-D668 PolarHBondContact OG1-OD1 3.2Å; T665-D668 PolarHBondContact OG1-OD2 2.92Å; D668-E670 VanDerWaalsContact C-N 3.35Å; D668-E670 PolarHBondContact O-N 3.01Å; D668-Q671 PolarHBondContact O-N 3.02Å; D668-R724 IonicContact OD2-NH2 3.02Å |
| 669 | I | 96.4 | Very high | 91 | Very high | 3 Ų | 3 | 81.2 Ų | 81.2 | 2% | 0.015 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.1 | -65.7 | 166.7 | 0 | 0 | 0 | 111.2 | L664 T665 A667 Q671 L672 R703 D717 L720 K721 | L664-I669 HydrophobicContact CB-CD1 4.07Å; L664-I669 HydrophobicContact CB-CG1 3.62Å; L664-I669 HydrophobicContact CD2-CG1 4.2Å; T665-I669 VanDerWaalsContact O-CG1 3.28Å; T665-I669 WeakPolarHBondContact O-CG1 3.18Å; T665-I669 PolarHBondContact O-N 2.81Å; T665-I669 VanDerWaalsContact O-N 3.1Å; A667-I669 VanDerWaalsContact C-N 3.29Å; A667-I669 PolarHBondContact O-N 2.96Å; I669-Q671 VanDerWaalsContact C-N 3.29Å; I669-Q671 PolarHBondContact O-N 2.85Å; I669-L672 WeakPolarHBondContact O-CB 3.42Å; I669-L672 PolarHBondContact O-N 2.85Å; I669-R703 PolarHBondContact O-NH1 3.31Å; I669-D717 HydrophobicContact CG2-CB 4.23Å; I669-D717 WeakPolarHBondContact CG2-OD1 3.39Å; I669-L720 HydrophobicContact CD1-CB 3.62Å; I669-L720 HydrophobicContact CG1-CB 3.79Å; I669-L720 HydrophobicContact CG1-CD1 4.21Å; I669-L720 HydrophobicContact CG2-CD1 4.42Å; I669-K721 HydrophobicContact CD1-CG 3.73Å |
| 670 | E | 95.5 | Very high | 92.2 | Very high | 103 Ų | 103 | 83.7 Ų | 83.7 | 48% | 0.481 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72 | -21 | -178.5 | -76.5 | 172.8 | 158.6 | 0 | 0 | 113.4 | K666 A667 D668 | K666-E670 WeakPolarHBondContact CE-OE1 3.08Å; K666-E670 IonicContact NZ-OE1 3.64Å; K666-E670 PolarHBondContact NZ-OE1 3.49Å; K666-E670 IonicContact NZ-OE2 2.67Å; K666-E670 PolarHBondContact NZ-OE2 3.43Å; K666-E670 WeakPolarHBondContact O-CB 3.5Å; K666-E670 VanDerWaalsContact O-CG 3.31Å; K666-E670 WeakPolarHBondContact O-CG 3.47Å; K666-E670 PolarHBondContact O-N 2.81Å; A667-E670 PolarHBondContact O-N 3.31Å; A667-E670 VanDerWaalsContact O-N 3.08Å; D668-E670 VanDerWaalsContact C-N 3.35Å; D668-E670 PolarHBondContact O-N 3.01Å |
| 671 | Q | 95.8 | Very high | 93.5 | Very high | 157 Ų | 157 | 81.6 Ų | 81.6 | 73% | 0.734 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -75.8 | -20.2 | 172.6 | -70.7 | 170.5 | 9 | 0 | 0 | 113.8 | A667 D668 I669 | A667-Q671 WeakPolarHBondContact O-CG 3.39Å; A667-Q671 PolarHBondContact O-N 2.87Å; D668-Q671 PolarHBondContact O-N 3.02Å; I669-Q671 VanDerWaalsContact C-N 3.29Å; I669-Q671 PolarHBondContact O-N 2.85Å |
| 672 | L | 96.3 | Very high | 94.6 | Very high | 19 Ų | 19 | 79.7 Ų | 79.7 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -65 | 138.5 | -179.1 | -67.3 | 174.9 | 0 | 0 | 0 | 112.1 | L664 I669 S674 R703 L705 P706 L720 A733 | L664-L672 HydrophobicContact CD2-CD1 4.35Å; I669-L672 WeakPolarHBondContact O-CB 3.42Å; I669-L672 PolarHBondContact O-N 2.85Å; L672-S674 PolarHBondContact O-N 2.95Å; L672-R703 HydrophobicContact CB-CG 3.97Å; L672-R703 PolarHBondContact O-NH1 2.59Å; L672-L705 HydrophobicContact CD1-CD2 3.91Å; L672-P706 HydrophobicContact CD2-CG 4.23Å; L672-L720 HydrophobicContact CD1-CD1 3.69Å; L672-A733 WeakPolarHBondContact CD2-O 3.12Å |
| 673 | P | 96.5 | Very high | 94.9 | Very high | 85 Ų | 85 | 78 Ų | 78 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | | | trans | -49.7 | 130.9 | -177.2 | -28.5 | 34.9 | 0 | 0 | 0 | 113.1 | R703 V704 | P673-R703 CarbonylContact O-C 3.55Å; P673-R703 WeakPolarHBondContact O-CA 3.21Å; P673-R703 WeakPolarHBondContact O-CG 3.22Å; P673-V704 HydrophobicContact CB-CB 4.41Å; P673-V704 PolarHBondContact O-N 2.76Å |
| 674 | S | 96.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 79.6 Ų | 79.6 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 142 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | L672 L702 | L672-S674 PolarHBondContact O-N 2.95Å; S674-L702 CarbonylContact C-O 3.52Å; S674-L702 WeakPolarHBondContact CA-O 3.31Å; S674-L702 WeakPolarHBondContact CB-O 3.03Å |
| 675 | Y | 97 | Very high | 94.8 | Very high | 79 Ų | 79 | 88.5 Ų | 88.5 | 31% | 0.31 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 168.4 | -176 | 73.7 | -87.2 | 0 | 0 | 0 | 110.9 | H682 L702 V704 E710 | Y675-H682 AromaticContact CZ-CE1 3.75Å; Y675-H682 PolarHBondContact OH-CE1 2.83Å; Y675-H682 PolarHBondContact OH-ND1 3.21Å; Y675-L702 HydrophobicContact CE1-CB 4.34Å; Y675-L702 PolarHBondContact N-O 3.44Å; Y675-L702 PolarHBondContact O-N 3.3Å; Y675-V704 HydrophobicContact CD1-CG2 3.96Å; Y675-V704 HydrophobicContact CE1-CG2 3.66Å; Y675-E710 VanDerWaalsContact CE1-OE1 3.26Å; Y675-E710 WeakPolarHBondContact CE1-OE1 3.24Å; Y675-E710 VanDerWaalsContact CZ-OE1 3.31Å; Y675-E710 PolarHBondContact OH-OE1 2.96Å |
| 676 | R | 97.6 | Very high | 94.8 | Very high | 169 Ų | 169 | 87.5 Ų | 87.5 | 64% | 0.638 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.4 | -179.7 | -56.4 | -166.5 | 72.7 | 159.4 | 4.5 | 109.9 | N678 R699 Q700 L701 | R676-N678 PolarHBondContact O-N 3.22Å; R676-R699 PolarHBondContact NE-O 3.1Å; R676-R699 PolarHBondContact NH2-O 3.36Å; R676-Q700 CarbonylContact C-O 3.54Å; R676-Q700 VanDerWaalsContact CA-O 3.28Å; R676-Q700 WeakPolarHBondContact CA-O 3.16Å; R676-L701 HydrophobicContact CG-CD1 4.45Å |
| 677 | F | 97.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 85.5 Ų | 85.5 | 7% | 0.066 | 44% | 0.441 | C | S | . | . | | | trans | -55.7 | 135.6 | -177.7 | -176.6 | -108.6 | 0 | 0 | 0 | 111.8 | P679 H682 F696 E697 R699 Q700 L702 | F677-P679 HydrophobicContact CD1-CG 4.2Å; F677-P679 HydrophobicContact CE1-CB 4.26Å; F677-P679 HydrophobicContact CE1-CG 3.7Å; F677-H682 AromaticContact CD2-ND1 3.58Å; F677-H682 HydrophobicContact CE2-CB 3.98Å; F677-H682 AromaticContact CE2-CD2 3.77Å; F677-H682 AromaticContact CE2-CG 3.45Å; F677-H682 VanDerWaalsContact CE2-CG 3.45Å; F677-H682 AromaticContact CE2-ND1 3.37Å; F677-H682 WeakPolarHBondContact CE2-ND1 3.33Å; F677-F696 HydrophobicContact CD1-CB 3.7Å; F677-F696 HydrophobicContact CD2-CB 3.83Å; F677-F696 HydrophobicContact CD2-CD2 4.11Å; F677-F696 HydrophobicContact CD2-CG 4.29Å; F677-F696 HydrophobicContact CE1-CB 3.61Å; F677-F696 WeakPolarHBondContact CE1-O 3.13Å; F677-F696 HydrophobicContact CE2-CB 3.73Å; F677-F696 AromaticContact CE2-CD2 3.83Å; F677-F696 HydrophobicContact CE2-CD2 3.83Å; F677-F696 HydrophobicContact CE2-CG 4.23Å; F677-F696 HydrophobicContact CG-CB 3.8Å; F677-F696 HydrophobicContact CZ-CB 3.63Å; F677-F696 HydrophobicContact CZ-CD2 4.38Å; F677-E697 WeakPolarHBondContact CD1-O 3.11Å; F677-R699 PolarHBondContact O-N 2.79Å; F677-Q700 PolarHBondContact N-O 3.27Å; F677-L702 HydrophobicContact CB-CD1 3.92Å; F677-L702 HydrophobicContact CB-CG 4.01Å; F677-L702 HydrophobicContact CD2-CD1 3.66Å; F677-L702 HydrophobicContact CG-CD1 4.14Å |
| 678 | N | 96.3 | Very high | 95 | Very high | 77 Ų | 77 | 86.3 Ų | 86.3 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | | | trans | -134.7 | 106.8 | 175.1 | -179.9 | 7.3 | 0 | 0 | 0 | 108.4 | R676 N680 N681 H682 | R676-N678 PolarHBondContact O-N 3.22Å; N678-N680 PolarHBondContact O-N 3.33Å; N678-N680 PolarHBondContact OD1-N 3.35Å; N678-N681 CarbonylContact O-C 3.42Å; N678-N681 PolarHBondContact O-N 2.97Å; N678-H682 PolarHBondContact O-N 3.17Å; N678-H682 VanDerWaalsContact O-N 3.15Å |
| 679 | P | 94.6 | Very high | 95.2 | Very high | 71 Ų | 71 | 84 Ų | 84 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -52.6 | -29.1 | -178.4 | -23.1 | 28.4 | 0 | 0 | 0 | 113.9 | F677 | F677-P679 HydrophobicContact CD1-CG 4.2Å; F677-P679 HydrophobicContact CE1-CB 4.26Å; F677-P679 HydrophobicContact CE1-CG 3.7Å |
| 680 | N | 94.6 | Very high | 95.2 | Very high | 152 Ų | 152 | 86.4 Ų | 86.4 | 81% | 0.813 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -86.6 | -7.5 | -175 | -57.1 | 4.7 | 0 | 0 | 0 | 113.6 | N678 | N678-N680 PolarHBondContact O-N 3.33Å; N678-N680 PolarHBondContact OD1-N 3.35Å |
| 681 | N | 91.9 | Very high | 95.3 | Very high | 114 Ų | 114 | 84.1 Ų | 84.1 | 61% | 0.61 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -145.8 | 37.9 | -178 | -170.1 | 74.2 | 0 | 0 | 0 | 110.4 | N678 | N678-N681 CarbonylContact O-C 3.42Å; N678-N681 PolarHBondContact O-N 2.97Å |
| 682 | H | 93.4 | Very high | 95.5 | Very high | 43 Ų | 43 | 79 Ų | 79 | 20% | 0.199 | 41% | 0.414 | C | S | . | . | | | trans | -91.4 | 125.8 | 174.9 | -168.3 | 61 | 0 | 0 | 0 | 108.9 | Y675 F677 N678 S684 Q686 E710 | Y675-H682 AromaticContact CZ-CE1 3.75Å; Y675-H682 PolarHBondContact OH-CE1 2.83Å; Y675-H682 PolarHBondContact OH-ND1 3.21Å; F677-H682 AromaticContact CD2-ND1 3.58Å; F677-H682 HydrophobicContact CE2-CB 3.98Å; F677-H682 AromaticContact CE2-CD2 3.77Å; F677-H682 AromaticContact CE2-CG 3.45Å; F677-H682 VanDerWaalsContact CE2-CG 3.45Å; F677-H682 AromaticContact CE2-ND1 3.37Å; F677-H682 WeakPolarHBondContact CE2-ND1 3.33Å; N678-H682 PolarHBondContact O-N 3.17Å; N678-H682 VanDerWaalsContact O-N 3.15Å; H682-S684 PolarHBondContact CD2-O 3.05Å; H682-S684 VanDerWaalsContact NE2-CB 3.28Å; H682-S684 WeakPolarHBondContact NE2-CB 3.47Å; H682-S684 PolarHBondContact NE2-O 2.71Å; H682-S684 PolarHBondContact NE2-OG 2.95Å; H682-Q686 PolarHBondContact NE2-O 3.35Å; H682-E710 IonicContact CE1-OE1 2.38Å; H682-E710 PolarHBondContact CE1-OE1 2.83Å; H682-E710 IonicContact CE1-OE2 2.64Å; H682-E710 PolarHBondContact CE1-OE2 3.38Å; H682-E710 IonicContact NE2-OE2 3.19Å; H682-E710 PolarHBondContact NE2-OE2 2.93Å |
| 683 | Q | 89.4 | Confident | 95.5 | Very high | 184 Ų | 184 | 85 Ų | 85 | 86% | 0.86 | 44% | 0.444 | S | S | * | . | | | trans | -103.7 | -7.9 | -175.1 | -64.2 | 179.3 | -5.6 | 0 | 0 | 112.9 | | |
| 684 | S | 91.1 | Very high | 95.6 | Very high | 37 Ų | 37 | 84.1 Ų | 84.1 | 26% | 0.259 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -94.4 | 151.6 | -179.4 | 145.9 | 0 | 0 | 0 | 0 | 111.1 | H682 Q686 E710 | H682-S684 PolarHBondContact CD2-O 3.05Å; H682-S684 VanDerWaalsContact NE2-CB 3.28Å; H682-S684 WeakPolarHBondContact NE2-CB 3.47Å; H682-S684 PolarHBondContact NE2-O 2.71Å; H682-S684 PolarHBondContact NE2-OG 2.95Å; S684-Q686 VanDerWaalsContact C-N 3.29Å; S684-Q686 PolarHBondContact OG-N 2.81Å; S684-E710 WeakPolarHBondContact CB-OE2 3.37Å; S684-E710 PolarHBondContact OG-OE2 3.02Å |
| 685 | E | 91.8 | Very high | 95.7 | Very high | 195 Ų | 195 | 86.7 Ų | 86.7 | 91% | 0.911 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -77.1 | -15.1 | 174.8 | -59.6 | -175.9 | 168.2 | 0 | 0 | 112.9 | T687 | E685-T687 PolarHBondContact O-N 3.22Š|
| 686 | Q | 95 | Very high | 95.7 | Very high | 51 Ų | 51 | 83.6 Ų | 83.6 | 24% | 0.238 | 44% | 0.436 | C | S | . | . | | | trans | -76.8 | 118.7 | 177.9 | -83.2 | 158.3 | 75.5 | 0 | 0 | 110.5 | H682 S684 F696 | H682-Q686 PolarHBondContact NE2-O 3.35Å; S684-Q686 VanDerWaalsContact C-N 3.29Å; S684-Q686 PolarHBondContact OG-N 2.81Å; Q686-F696 HydrophobicContact CB-CE2 4.2Å; Q686-F696 WeakPolarHBondContact O-CD2 3.14Å; Q686-F696 VanDerWaalsContact O-CE2 3.23Å; Q686-F696 WeakPolarHBondContact O-CE2 3.31Å |
| 687 | T | 95.5 | Very high | 95.7 | Very high | 85 Ų | 85 | 81.6 Ų | 81.6 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | | | trans | -108.2 | -7.5 | 178.3 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | E685 D695 F696 | E685-T687 PolarHBondContact O-N 3.22Å; T687-D695 WeakPolarHBondContact O-CA 3.49Å; T687-F696 VanDerWaalsContact C-CD2 3.44Å; T687-F696 PolarHBondContact O-N 3.08Å |
| 688 | L | 97.3 | Very high | 95.6 | Very high | 67 Ų | 67 | 84.5 Ų | 84.5 | 35% | 0.351 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.6 | -175.2 | 69.2 | 89.3 | 0 | 0 | 0 | 112.9 | V690 C694 | L688-V690 HydrophobicContact CD1-CG1 3.99Å; L688-C694 WeakPolarHBondContact CA-O 3.26Å |
| 689 | C | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 106.6 | 176.8 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | V691 C692 M693 C694 F696 H712 | C689-V691 PolarHBondContact O-N 3.26Å; C689-C692 PolarHBondContact O-N 3.23Å; C689-M693 PolarHBondContact O-N 2.67Å; C689-C694 PolarHBondContact N-O 3.33Å; C689-F696 HydrophobicContact CB-CD1 4.35Å; C689-F696 HydrophobicContact CB-CE1 3.72Å; C689-H712 WeakPolarHBondContact CB-CE1 3.2Å; C689-H712 WeakPolarHBondContact CB-ND1 3.29Å; C689-H712 WeakPolarHBondContact CB-NE2 3.28Å; C689-H712 PolarHBondContact SG-CE1 3.47Å; C689-H712 PolarHBondContact SG-N 3.28Å; C689-H712 VanDerWaalsContact SG-N 3.37Å |
| 690 | V | 97.7 | Very high | 95.7 | Very high | 53 Ų | 53 | 88.6 Ų | 88.6 | 32% | 0.321 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -11.2 | 180 | -55.3 | 0 | 0 | 0 | 0 | 115.2 | L688 M693 F711 I728 | L688-V690 HydrophobicContact CD1-CG1 3.99Å; V690-M693 WeakPolarHBondContact O-CE 3.36Å; V690-M693 VanDerWaalsContact O-SD 3.41Å; V690-F711 HydrophobicContact CG2-CD1 4.3Å; V690-F711 HydrophobicContact CG2-CE1 3.69Å; V690-I728 HydrophobicContact CG1-CD1 4.18Å; V690-I728 HydrophobicContact CG2-CD1 3.71Å; V690-I728 HydrophobicContact CG2-CG1 3.61Å |
| 691 | V | 97.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 85.6 Ų | 85.6 | 33% | 0.333 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -20.8 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | C689 F711 C715 P727 | C689-V691 PolarHBondContact O-N 3.26Å; V691-F711 HydrophobicContact CG2-CD1 3.69Å; V691-F711 HydrophobicContact CG2-CE1 3.96Å; V691-C715 HydrophobicContact CB-CB 3.95Å; V691-C715 HydrophobicContact CG1-CB 3.76Å; V691-P727 HydrophobicContact CG2-CB 4.07Å; V691-P727 HydrophobicContact CG2-CG 3.81Å |
| 692 | C | 98.1 | Very high | 96.2 | Very high | 48 Ų | 48 | 80.1 Ų | 80.1 | 32% | 0.324 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -4.7 | 174.2 | 67 | 0 | 0 | 0 | 0 | 114.4 | C689 C694 H712 | C689-C692 PolarHBondContact O-N 3.23Å; C692-C694 VanDerWaalsContact C-N 3.26Å; C692-C694 PolarHBondContact O-N 3.24Å; C692-C694 PolarHBondContact O-SG 2.89Å; C692-H712 PolarHBondContact SG-CE1 3.06Å; C692-H712 PolarHBondContact SG-ND1 2.82Å; C692-H712 PolarHBondContact SG-NE2 2.64Å |
| 693 | M | 97.7 | Very high | 96.4 | Very high | 147 Ų | 147 | 78.5 Ų | 78.5 | 72% | 0.724 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 37.3 | -176.5 | -50.1 | -56.9 | -179.2 | 0 | 0 | 113.3 | C689 V690 | C689-M693 PolarHBondContact O-N 2.67Å; V690-M693 WeakPolarHBondContact O-CE 3.36Å; V690-M693 VanDerWaalsContact O-SD 3.41Å |
| 694 | C | 98.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 70.9 Ų | 70.9 | 45% | 0.446 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.5 | 174.9 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | L688 C689 C692 H712 | L688-C694 WeakPolarHBondContact CA-O 3.26Å; C689-C694 PolarHBondContact N-O 3.33Å; C692-C694 VanDerWaalsContact C-N 3.26Å; C692-C694 PolarHBondContact O-N 3.24Å; C692-C694 PolarHBondContact O-SG 2.89Å; C694-H712 VanDerWaalsContact CB-NE2 3.29Å; C694-H712 WeakPolarHBondContact CB-NE2 3.31Å; C694-H712 PolarHBondContact O-NE2 3.31Å |
| 695 | D | 98 | Very high | 97.1 | Very high | 112 Ų | 112 | 69.2 Ų | 69.2 | 60% | 0.599 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 154.2 | 172.3 | -50.8 | -42.4 | 0 | 0 | 0 | 111.8 | T687 H712 | T687-D695 WeakPolarHBondContact O-CA 3.49Å; D695-H712 PolarHBondContact O-NE2 3.34Å |
| 696 | F | 98.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 61.4 Ų | 61.4 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 122.8 | 173 | -60.4 | -39.5 | 0 | 0 | 0 | 110.4 | F677 Q686 T687 C689 L702 E710 H712 | F677-F696 HydrophobicContact CD1-CB 3.7Å; F677-F696 HydrophobicContact CD2-CB 3.83Å; F677-F696 HydrophobicContact CD2-CD2 4.11Å; F677-F696 HydrophobicContact CD2-CG 4.29Å; F677-F696 HydrophobicContact CE1-CB 3.61Å; F677-F696 WeakPolarHBondContact CE1-O 3.13Å; F677-F696 HydrophobicContact CE2-CB 3.73Å; F677-F696 AromaticContact CE2-CD2 3.83Å; F677-F696 HydrophobicContact CE2-CD2 3.83Å; F677-F696 HydrophobicContact CE2-CG 4.23Å; F677-F696 HydrophobicContact CG-CB 3.8Å; F677-F696 HydrophobicContact CZ-CB 3.63Å; F677-F696 HydrophobicContact CZ-CD2 4.38Å; Q686-F696 HydrophobicContact CB-CE2 4.2Å; Q686-F696 WeakPolarHBondContact O-CD2 3.14Å; Q686-F696 VanDerWaalsContact O-CE2 3.23Å; Q686-F696 WeakPolarHBondContact O-CE2 3.31Å; T687-F696 VanDerWaalsContact C-CD2 3.44Å; T687-F696 PolarHBondContact O-N 3.08Å; C689-F696 HydrophobicContact CB-CD1 4.35Å; C689-F696 HydrophobicContact CB-CE1 3.72Å; F696-L702 HydrophobicContact CB-CD1 4.48Å; F696-L702 HydrophobicContact CD1-CD1 3.98Å; F696-L702 HydrophobicContact CD1-CD2 3.42Å; F696-L702 VanDerWaalsContact CD1-CD2 3.42Å; F696-L702 HydrophobicContact CD1-CG 4.37Å; F696-L702 HydrophobicContact CD2-CD1 3.72Å; F696-L702 HydrophobicContact CE1-CD1 4.02Å; F696-L702 HydrophobicContact CE1-CD2 3.55Å; F696-L702 HydrophobicContact CE1-CG 4.43Å; F696-L702 HydrophobicContact CE2-CD1 3.79Å; F696-L702 HydrophobicContact CG-CD1 3.83Å; F696-L702 HydrophobicContact CG-CD2 4.03Å; F696-L702 HydrophobicContact CZ-CD1 3.95Å; F696-L702 HydrophobicContact CZ-CD2 4.27Å; F696-E710 HydrophobicContact CE2-CB 4.31Å; F696-E710 HydrophobicContact CZ-CB 4.06Å; F696-H712 AromaticContact CD1-CD2 3.89Å |
| 697 | E | 96.7 | Very high | 97.3 | Very high | 128 Ų | 128 | 60 Ų | 60 | 60% | 0.598 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -97 | 151 | 175 | -49.9 | 170.3 | 144.7 | 0 | 0 | 111.4 | F677 R699 Q700 | F677-E697 WeakPolarHBondContact CD1-O 3.11Å; E697-R699 PolarHBondContact O-N 2.88Å; E697-Q700 VanDerWaalsContact CB-CD 3.49Å; E697-Q700 HydrophobicContact CB-CG 3.93Å; E697-Q700 VanDerWaalsContact CD-NE2 3.26Å; E697-Q700 VanDerWaalsContact CG-NE2 3.27Å; E697-Q700 VanDerWaalsContact N-CD 3.33Å; E697-Q700 VanDerWaalsContact O-CB 3.32Å; E697-Q700 WeakPolarHBondContact O-CB 3.26Å; E697-Q700 VanDerWaalsContact O-CG 3.29Å; E697-Q700 WeakPolarHBondContact O-CG 3.33Å; E697-Q700 PolarHBondContact O-N 3.05Å; E697-Q700 PolarHBondContact OE2-NE2 3.08Å |
| 698 | S | 96.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 61.5 Ų | 61.5 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 138.6 | -179.3 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | Q700 | S698-Q700 PolarHBondContact O-N 3.38Š|
| 699 | R | 96.1 | Very high | 97.3 | Very high | 187 Ų | 187 | 60.1 Ų | 60.1 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 3 | -180 | -48.7 | 179.3 | 178 | -126.6 | -1.4 | 115.9 | R676 F677 E697 | R676-R699 PolarHBondContact NE-O 3.1Å; R676-R699 PolarHBondContact NH2-O 3.36Å; F677-R699 PolarHBondContact O-N 2.79Å; E697-R699 PolarHBondContact O-N 2.88Å |
| 700 | Q | 97.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 60.7 Ų | 60.7 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | | | trans | -62.1 | 150.9 | 166.7 | -70 | 178.8 | -16.8 | 0 | 0 | 110.7 | R676 F677 E697 S698 H712 | R676-Q700 CarbonylContact C-O 3.54Å; R676-Q700 VanDerWaalsContact CA-O 3.28Å; R676-Q700 WeakPolarHBondContact CA-O 3.16Å; F677-Q700 PolarHBondContact N-O 3.27Å; E697-Q700 VanDerWaalsContact CB-CD 3.49Å; E697-Q700 HydrophobicContact CB-CG 3.93Å; E697-Q700 VanDerWaalsContact CD-NE2 3.26Å; E697-Q700 VanDerWaalsContact CG-NE2 3.27Å; E697-Q700 VanDerWaalsContact N-CD 3.33Å; E697-Q700 VanDerWaalsContact O-CB 3.32Å; E697-Q700 WeakPolarHBondContact O-CB 3.26Å; E697-Q700 VanDerWaalsContact O-CG 3.29Å; E697-Q700 WeakPolarHBondContact O-CG 3.33Å; E697-Q700 PolarHBondContact O-N 3.05Å; E697-Q700 PolarHBondContact OE2-NE2 3.08Å; S698-Q700 PolarHBondContact O-N 3.38Å; Q700-H712 PolarHBondContact OE1-CD2 3.46Å |
| 701 | L | 98.1 | Very high | 97.4 | Very high | 88 Ų | 88 | 58.2 Ų | 58.2 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 113.6 | 177.3 | -175.4 | 71.5 | 0 | 0 | 0 | 109.5 | R676 A713 | R676-L701 HydrophobicContact CG-CD1 4.45Å; L701-A713 HydrophobicContact CB-CB 4.45Å; L701-A713 HydrophobicContact CD2-CB 3.85Å; L701-A713 HydrophobicContact CG-CB 3.94Å; L701-A713 PolarHBondContact O-N 3.07Å |
| 702 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 152.7 | 170.1 | -53.4 | -170.9 | 0 | 0 | 0 | 110 | S674 Y675 F677 F696 F711 | S674-L702 CarbonylContact C-O 3.52Å; S674-L702 WeakPolarHBondContact CA-O 3.31Å; S674-L702 WeakPolarHBondContact CB-O 3.03Å; Y675-L702 HydrophobicContact CE1-CB 4.34Å; Y675-L702 PolarHBondContact N-O 3.44Å; Y675-L702 PolarHBondContact O-N 3.3Å; F677-L702 HydrophobicContact CB-CD1 3.92Å; F677-L702 HydrophobicContact CB-CG 4.01Å; F677-L702 HydrophobicContact CD2-CD1 3.66Å; F677-L702 HydrophobicContact CG-CD1 4.14Å; F696-L702 HydrophobicContact CB-CD1 4.48Å; F696-L702 HydrophobicContact CD1-CD1 3.98Å; F696-L702 HydrophobicContact CD1-CD2 3.42Å; F696-L702 VanDerWaalsContact CD1-CD2 3.42Å; F696-L702 HydrophobicContact CD1-CG 4.37Å; F696-L702 HydrophobicContact CD2-CD1 3.72Å; F696-L702 HydrophobicContact CE1-CD1 4.02Å; F696-L702 HydrophobicContact CE1-CD2 3.55Å; F696-L702 HydrophobicContact CE1-CG 4.43Å; F696-L702 HydrophobicContact CE2-CD1 3.79Å; F696-L702 HydrophobicContact CG-CD1 3.83Å; F696-L702 HydrophobicContact CG-CD2 4.03Å; F696-L702 HydrophobicContact CZ-CD1 3.95Å; F696-L702 HydrophobicContact CZ-CD2 4.27Å; L702-F711 CarbonylContact C-O 3.47Å; L702-F711 WeakPolarHBondContact CA-O 3.49Å |
| 703 | R | 97.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.4 | 168.7 | -175.5 | -173.9 | -59.2 | -64.9 | 6.8 | 108.4 | I669 L672 P673 F711 A713 V716 D717 | I669-R703 PolarHBondContact O-NH1 3.31Å; L672-R703 HydrophobicContact CB-CG 3.97Å; L672-R703 PolarHBondContact O-NH1 2.59Å; P673-R703 CarbonylContact O-C 3.55Å; P673-R703 WeakPolarHBondContact O-CA 3.21Å; P673-R703 WeakPolarHBondContact O-CG 3.22Å; R703-F711 PolarHBondContact N-O 2.61Å; R703-F711 PolarHBondContact O-N 3.18Å; R703-F711 VanDerWaalsContact O-N 3.08Å; R703-A713 HydrophobicContact CB-CB 4.09Å; R703-V716 HydrophobicContact CB-CG1 3.9Å; R703-V716 HydrophobicContact CG-CG1 4.36Å; R703-D717 IonicContact CZ-OD1 3.98Å; R703-D717 IonicContact NE-OD1 3.57Å; R703-D717 PolarHBondContact NE-OD1 3.2Å; R703-D717 IonicContact NH2-OD1 3.74Å; R703-D717 PolarHBondContact NH2-OD1 3.5Å; R703-D717 IonicContact NH2-OD2 2.67Å; R703-D717 PolarHBondContact NH2-OD2 2.88Å |
| 704 | V | 97.2 | Very high | 97.4 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.9 | 175.7 | -164.3 | 0 | 0 | 0 | 0 | 107.5 | P673 Y675 H709 E710 | P673-V704 HydrophobicContact CB-CB 4.41Å; P673-V704 PolarHBondContact O-N 2.76Å; Y675-V704 HydrophobicContact CD1-CG2 3.96Å; Y675-V704 HydrophobicContact CE1-CG2 3.66Å; V704-H709 WeakPolarHBondContact CA-O 3.35Å; V704-E710 HydrophobicContact CG1-CG 4.33Å; V704-E710 HydrophobicContact CG2-CG 4.27Å |
| 705 | L | 97.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | | | trans | -85.7 | 160.1 | 171.5 | -55.8 | -171.9 | 0 | 0 | 0 | 109.9 | L672 C707 N708 H709 F711 V716 L720 C726 A733 | L672-L705 HydrophobicContact CD1-CD2 3.91Å; L705-C707 PolarHBondContact O-N 2.84Å; L705-N708 WeakPolarHBondContact O-CA 3.34Å; L705-N708 PolarHBondContact O-N 3.34Å; L705-H709 PolarHBondContact N-O 3.25Å; L705-F711 HydrophobicContact CD1-CD2 4.24Å; L705-F711 HydrophobicContact CD1-CE2 3.61Å; L705-F711 HydrophobicContact CD1-CZ 4.39Å; L705-F711 HydrophobicContact CG-CD2 4.14Å; L705-F711 HydrophobicContact CG-CE2 3.86Å; L705-V716 HydrophobicContact CD1-CG2 4.2Å; L705-V716 HydrophobicContact CD2-CG2 4.02Å; L705-V716 HydrophobicContact CG-CG2 4.47Å; L705-L720 HydrophobicContact CD2-CD1 3.91Å; L705-C726 HydrophobicContact CD1-CB 3.78Å; L705-A733 HydrophobicContact CD1-CB 4.41Å; L705-A733 HydrophobicContact CD2-CB 4.31Å |
| 706 | P | 96.2 | Very high | 97.4 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 20% | 0.195 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.6 | -177.6 | -22.4 | 33.7 | 0 | 0 | 0 | 114.3 | L672 N708 E735 | L672-P706 HydrophobicContact CD2-CG 4.23Å; P706-N708 PolarHBondContact O-N 2.93Å; P706-E735 VanDerWaalsContact CB-O 3.29Å; P706-E735 WeakPolarHBondContact CB-O 3.27Å; P706-E735 WeakPolarHBondContact CG-O 3.48Å |
| 707 | C | 95.9 | Very high | 97.4 | Very high | 21 Ų | 21 | 50 Ų | 50 | 14% | 0.142 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 23.8 | 169.8 | 62.4 | 0 | 0 | 0 | 0 | 114 | L705 H709 C726 A731 | L705-C707 PolarHBondContact O-N 2.84Å; C707-H709 PolarHBondContact O-N 2.98Å; C707-H709 PolarHBondContact O-ND1 2.73Å; C707-C726 VanDerWaalsContact SG-SG 3.69Å; C707-A731 HydrophobicContact CB-CB 3.98Å |
| 708 | N | 95.5 | Very high | 97.5 | Very high | 117 Ų | 117 | 51.9 Ų | 51.9 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 54 | 21.8 | 178.7 | -60.9 | -39.9 | 0 | 0 | 0 | 116.9 | L705 P706 | L705-N708 WeakPolarHBondContact O-CA 3.34Å; L705-N708 PolarHBondContact O-N 3.34Å; P706-N708 PolarHBondContact O-N 2.93Å |
| 709 | H | 97.1 | Very high | 97.5 | Very high | 39 Ų | 39 | 52.9 Ų | 52.9 | 18% | 0.181 | 25% | 0.246 | C | C | . | . | | | trans | -94.9 | 141 | 176.6 | -73 | 83.8 | 0 | 0 | 0 | 111.4 | V704 L705 C707 F711 I728 | V704-H709 WeakPolarHBondContact CA-O 3.35Å; L705-H709 PolarHBondContact N-O 3.25Å; C707-H709 PolarHBondContact O-N 2.98Å; C707-H709 PolarHBondContact O-ND1 2.73Å; H709-F711 HydrophobicContact CB-CE2 3.75Å; H709-F711 HydrophobicContact CB-CZ 4.05Å; H709-I728 HydrophobicContact CB-CD1 4.39Å; H709-I728 VanDerWaalsContact CD2-CD1 3.47Å; H709-I728 WeakPolarHBondContact CD2-CD1 3.47Å; H709-I728 WeakPolarHBondContact NE2-CG2 3.39Å |
| 710 | E | 98 | Very high | 97.5 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139.9 | -166.5 | -59.2 | -168.4 | 120 | 0 | 0 | 113.3 | Y675 H682 S684 F696 V704 | Y675-E710 VanDerWaalsContact CE1-OE1 3.26Å; Y675-E710 WeakPolarHBondContact CE1-OE1 3.24Å; Y675-E710 VanDerWaalsContact CZ-OE1 3.31Å; Y675-E710 PolarHBondContact OH-OE1 2.96Å; H682-E710 IonicContact CE1-OE1 2.38Å; H682-E710 PolarHBondContact CE1-OE1 2.83Å; H682-E710 IonicContact CE1-OE2 2.64Å; H682-E710 PolarHBondContact CE1-OE2 3.38Å; H682-E710 IonicContact NE2-OE2 3.19Å; H682-E710 PolarHBondContact NE2-OE2 2.93Å; S684-E710 WeakPolarHBondContact CB-OE2 3.37Å; S684-E710 PolarHBondContact OG-OE2 3.02Å; F696-E710 HydrophobicContact CE2-CB 4.31Å; F696-E710 HydrophobicContact CZ-CB 4.06Å; V704-E710 HydrophobicContact CG1-CG 4.33Å; V704-E710 HydrophobicContact CG2-CG 4.27Å |
| 711 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.5 | -177 | -52.4 | -92.4 | 0 | 0 | 0 | 110.4 | V690 V691 L702 R703 L705 H709 A713 V716 P727 I728 | V690-F711 HydrophobicContact CG2-CD1 4.3Å; V690-F711 HydrophobicContact CG2-CE1 3.69Å; V691-F711 HydrophobicContact CG2-CD1 3.69Å; V691-F711 HydrophobicContact CG2-CE1 3.96Å; L702-F711 CarbonylContact C-O 3.47Å; L702-F711 WeakPolarHBondContact CA-O 3.49Å; R703-F711 PolarHBondContact N-O 2.61Å; R703-F711 PolarHBondContact O-N 3.18Å; R703-F711 VanDerWaalsContact O-N 3.08Å; L705-F711 HydrophobicContact CD1-CD2 4.24Å; L705-F711 HydrophobicContact CD1-CE2 3.61Å; L705-F711 HydrophobicContact CD1-CZ 4.39Å; L705-F711 HydrophobicContact CG-CD2 4.14Å; L705-F711 HydrophobicContact CG-CE2 3.86Å; H709-F711 HydrophobicContact CB-CE2 3.75Å; H709-F711 HydrophobicContact CB-CZ 4.05Å; F711-A713 PolarHBondContact O-N 3.03Å; F711-V716 HydrophobicContact CB-CB 3.63Å; F711-V716 HydrophobicContact CB-CG1 3.78Å; F711-V716 HydrophobicContact CB-CG2 4.39Å; F711-V716 HydrophobicContact CD2-CB 4.1Å; F711-V716 HydrophobicContact CD2-CG1 4.45Å; F711-V716 HydrophobicContact CD2-CG2 3.92Å; F711-V716 HydrophobicContact CE2-CG2 4.44Å; F711-V716 HydrophobicContact CG-CB 3.84Å; F711-V716 HydrophobicContact CG-CG1 4.36Å; F711-V716 HydrophobicContact CG-CG2 4.09Å; F711-P727 HydrophobicContact CD1-CG 4.41Å; F711-P727 HydrophobicContact CE1-CB 3.86Å; F711-P727 HydrophobicContact CE1-CG 3.68Å; F711-P727 HydrophobicContact CZ-CB 4.15Å; F711-P727 HydrophobicContact CZ-CG 3.87Å; F711-I728 HydrophobicContact CE1-CD1 3.99Å; F711-I728 HydrophobicContact CE1-CG1 4.23Å; F711-I728 HydrophobicContact CZ-CD1 3.84Å; F711-I728 HydrophobicContact CZ-CG1 4.08Å |
| 712 | H | 98.6 | Very high | 97.2 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 10% | 0.102 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 127.2 | 159.7 | -57.9 | 126.7 | 0 | 0 | 0 | 108.8 | C689 C692 C694 D695 F696 Q700 K714 C715 V716 | C689-H712 WeakPolarHBondContact CB-CE1 3.2Å; C689-H712 WeakPolarHBondContact CB-ND1 3.29Å; C689-H712 WeakPolarHBondContact CB-NE2 3.28Å; C689-H712 PolarHBondContact SG-CE1 3.47Å; C689-H712 PolarHBondContact SG-N 3.28Å; C689-H712 VanDerWaalsContact SG-N 3.37Å; C692-H712 PolarHBondContact SG-CE1 3.06Å; C692-H712 PolarHBondContact SG-ND1 2.82Å; C692-H712 PolarHBondContact SG-NE2 2.64Å; C694-H712 VanDerWaalsContact CB-NE2 3.29Å; C694-H712 WeakPolarHBondContact CB-NE2 3.31Å; C694-H712 PolarHBondContact O-NE2 3.31Å; D695-H712 PolarHBondContact O-NE2 3.34Å; F696-H712 AromaticContact CD1-CD2 3.89Å; Q700-H712 PolarHBondContact OE1-CD2 3.46Å; H712-K714 VanDerWaalsContact C-N 3.26Å; H712-K714 PolarHBondContact O-N 3.44Å; H712-C715 HydrophobicContact CB-CB 4.06Å; H712-C715 PolarHBondContact CE1-SG 3.07Å; H712-C715 WeakPolarHBondContact O-CA 3.4Å; H712-C715 WeakPolarHBondContact O-CB 3.44Å; H712-C715 PolarHBondContact O-N 2.9Å; H712-V716 PolarHBondContact O-N 3.02Å; H712-V716 VanDerWaalsContact O-N 3.13Å |
| 713 | A | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52 | -47.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L701 R703 F711 C715 V716 D717 | L701-A713 HydrophobicContact CB-CB 4.45Å; L701-A713 HydrophobicContact CD2-CB 3.85Å; L701-A713 HydrophobicContact CG-CB 3.94Å; L701-A713 PolarHBondContact O-N 3.07Å; R703-A713 HydrophobicContact CB-CB 4.09Å; F711-A713 PolarHBondContact O-N 3.03Å; A713-C715 PolarHBondContact O-N 3.43Å; A713-V716 PolarHBondContact O-N 3.46Å; A713-D717 WeakPolarHBondContact O-CB 3.41Å; A713-D717 PolarHBondContact O-N 3.38Å; A713-D717 VanDerWaalsContact O-OD1 3.05Å |
| 714 | K | 98.1 | Very high | 96.9 | Very high | 189 Ų | 189 | 50.1 Ų | 50.1 | 82% | 0.822 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -52.9 | -32.6 | 175.9 | -64.1 | 177.5 | -178.4 | 172.4 | 0 | 114.9 | H712 | H712-K714 VanDerWaalsContact C-N 3.26Å; H712-K714 PolarHBondContact O-N 3.44Å |
| 715 | C | 98.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81.4 | -51 | -177.7 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | V691 H712 A713 K718 W719 | V691-C715 HydrophobicContact CB-CB 3.95Å; V691-C715 HydrophobicContact CG1-CB 3.76Å; H712-C715 HydrophobicContact CB-CB 4.06Å; H712-C715 PolarHBondContact CE1-SG 3.07Å; H712-C715 WeakPolarHBondContact O-CA 3.4Å; H712-C715 WeakPolarHBondContact O-CB 3.44Å; H712-C715 PolarHBondContact O-N 2.9Å; A713-C715 PolarHBondContact O-N 3.43Å; C715-K718 PolarHBondContact O-N 2.9Å; C715-W719 PolarHBondContact O-N 2.79Å |
| 716 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.1 | -31.1 | 179.2 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | R703 L705 F711 H712 A713 K718 W719 L720 | R703-V716 HydrophobicContact CB-CG1 3.9Å; R703-V716 HydrophobicContact CG-CG1 4.36Å; L705-V716 HydrophobicContact CD1-CG2 4.2Å; L705-V716 HydrophobicContact CD2-CG2 4.02Å; L705-V716 HydrophobicContact CG-CG2 4.47Å; F711-V716 HydrophobicContact CB-CB 3.63Å; F711-V716 HydrophobicContact CB-CG1 3.78Å; F711-V716 HydrophobicContact CB-CG2 4.39Å; F711-V716 HydrophobicContact CD2-CB 4.1Å; F711-V716 HydrophobicContact CD2-CG1 4.45Å; F711-V716 HydrophobicContact CD2-CG2 3.92Å; F711-V716 HydrophobicContact CE2-CG2 4.44Å; F711-V716 HydrophobicContact CG-CB 3.84Å; F711-V716 HydrophobicContact CG-CG1 4.36Å; F711-V716 HydrophobicContact CG-CG2 4.09Å; H712-V716 PolarHBondContact O-N 3.02Å; H712-V716 VanDerWaalsContact O-N 3.13Å; A713-V716 PolarHBondContact O-N 3.46Å; V716-K718 PolarHBondContact O-N 2.9Å; V716-W719 WeakPolarHBondContact O-CB 3.17Å; V716-W719 PolarHBondContact O-N 3.22Å; V716-W719 VanDerWaalsContact O-N 3.09Å; V716-L720 HydrophobicContact CG2-CD1 3.89Å; V716-L720 HydrophobicContact CG2-CG 3.89Å; V716-L720 WeakPolarHBondContact O-CB 3.43Å; V716-L720 WeakPolarHBondContact O-CG 3.46Å; V716-L720 PolarHBondContact O-N 2.87Å |
| 717 | D | 97.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -24.9 | 171.6 | -69.3 | 1.1 | 0 | 0 | 0 | 113.1 | I669 R703 A713 K721 | I669-D717 HydrophobicContact CG2-CB 4.23Å; I669-D717 WeakPolarHBondContact CG2-OD1 3.39Å; R703-D717 IonicContact CZ-OD1 3.98Å; R703-D717 IonicContact NE-OD1 3.57Å; R703-D717 PolarHBondContact NE-OD1 3.2Å; R703-D717 IonicContact NH2-OD1 3.74Å; R703-D717 PolarHBondContact NH2-OD1 3.5Å; R703-D717 IonicContact NH2-OD2 2.67Å; R703-D717 PolarHBondContact NH2-OD2 2.88Å; A713-D717 WeakPolarHBondContact O-CB 3.41Å; A713-D717 PolarHBondContact O-N 3.38Å; A713-D717 VanDerWaalsContact O-OD1 3.05Å; D717-K721 WeakPolarHBondContact O-CD 3.27Å; D717-K721 WeakPolarHBondContact O-CE 3.44Å; D717-K721 VanDerWaalsContact O-CG 3.31Å; D717-K721 WeakPolarHBondContact O-CG 3.47Å; D717-K721 PolarHBondContact O-NZ 2.92Å |
| 718 | K | 97.6 | Very high | 96.9 | Very high | 169 Ų | 169 | 54 Ų | 54 | 74% | 0.735 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -81.4 | -37.8 | 174.3 | -171.4 | -174 | 175.3 | -169.1 | 0 | 110.6 | C715 V716 | C715-K718 PolarHBondContact O-N 2.9Å; V716-K718 PolarHBondContact O-N 2.9Å |
| 719 | W | 97.1 | Very high | 96.9 | Very high | 96 Ų | 96 | 51.2 Ų | 51.2 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.5 | -48.6 | 176 | 177.9 | -93.5 | 0 | 0 | 0 | 112.4 | C715 V716 K721 A722 N723 T725 P727 | C715-W719 PolarHBondContact O-N 2.79Å; V716-W719 WeakPolarHBondContact O-CB 3.17Å; V716-W719 PolarHBondContact O-N 3.22Å; V716-W719 VanDerWaalsContact O-N 3.09Å; W719-K721 PolarHBondContact O-N 3.33Å; W719-A722 PolarHBondContact O-N 3.28Å; W719-N723 HydrophobicContact CZ2-CB 4.14Å; W719-N723 PolarHBondContact O-N 2.88Å; W719-T725 PolarHBondContact NE1-O 3.22Å; W719-P727 HydrophobicContact CD2-CG 4.11Å; W719-P727 HydrophobicContact CG-CG 3.95Å |
| 720 | L | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.2 | -173.3 | -72.1 | 177.2 | 0 | 0 | 0 | 114.3 | G663 L664 I669 L672 L705 V716 A722 N723 A733 | G663-L720 CarbonylContact C-O 3.55Å; G663-L720 WeakPolarHBondContact CA-O 3.26Å; L664-L720 PolarHBondContact N-O 3.16Å; I669-L720 HydrophobicContact CD1-CB 3.62Å; I669-L720 HydrophobicContact CG1-CB 3.79Å; I669-L720 HydrophobicContact CG1-CD1 4.21Å; I669-L720 HydrophobicContact CG2-CD1 4.42Å; L672-L720 HydrophobicContact CD1-CD1 3.69Å; L705-L720 HydrophobicContact CD2-CD1 3.91Å; V716-L720 HydrophobicContact CG2-CD1 3.89Å; V716-L720 HydrophobicContact CG2-CG 3.89Å; V716-L720 WeakPolarHBondContact O-CB 3.43Å; V716-L720 WeakPolarHBondContact O-CG 3.46Å; V716-L720 PolarHBondContact O-N 2.87Å; L720-A722 PolarHBondContact O-N 2.92Å; L720-N723 CarbonylContact C-O 3.51Å; L720-N723 VanDerWaalsContact CA-O 3.26Å; L720-N723 WeakPolarHBondContact CA-O 3.15Å; L720-A733 HydrophobicContact CD1-CB 4.35Å; L720-A733 HydrophobicContact CD2-CB 3.5Å |
| 721 | K | 95.1 | Very high | 96.7 | Very high | 119 Ų | 119 | 59.8 Ų | 59.8 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.7 | 171.5 | -71.6 | 166.9 | -170 | 138.2 | 0 | 113.1 | I669 D717 W719 | I669-K721 HydrophobicContact CD1-CG 3.73Å; D717-K721 WeakPolarHBondContact O-CD 3.27Å; D717-K721 WeakPolarHBondContact O-CE 3.44Å; D717-K721 VanDerWaalsContact O-CG 3.31Å; D717-K721 WeakPolarHBondContact O-CG 3.47Å; D717-K721 PolarHBondContact O-NZ 2.92Å; W719-K721 PolarHBondContact O-N 3.33Å |
| 722 | A | 93.8 | Very high | 96.4 | Very high | 54 Ų | 54 | 61.8 Ų | 61.8 | 45% | 0.446 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -23.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R662 W719 L720 | R662-A722 CarbonylContact C-O 3.59Å; R662-A722 WeakPolarHBondContact CB-O 3.25Å; R662-A722 CarbonylContact O-C 3.59Å; W719-A722 PolarHBondContact O-N 3.28Å; L720-A722 PolarHBondContact O-N 2.92Å |
| 723 | N | 94.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | | | trans | -137.9 | 136.9 | -178.8 | -53.4 | -84.1 | 0 | 0 | 0 | 109.6 | R662 W719 L720 T725 | R662-N723 CarbonylContact O-C 3.37Å; R662-N723 VanDerWaalsContact O-C 3.3Å; R662-N723 WeakPolarHBondContact O-CA 3.45Å; W719-N723 HydrophobicContact CZ2-CB 4.14Å; W719-N723 PolarHBondContact O-N 2.88Å; L720-N723 CarbonylContact C-O 3.51Å; L720-N723 VanDerWaalsContact CA-O 3.26Å; L720-N723 WeakPolarHBondContact CA-O 3.15Å; N723-T725 PolarHBondContact O-N 3.33Å |
| 724 | R | 94.4 | Very high | 95.8 | Very high | 43 Ų | 43 | 63.3 Ų | 63.3 | 16% | 0.162 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -77.7 | -5 | 177 | -49.3 | -164.7 | 82.8 | 100.5 | 1 | 114.4 | P661 R662 G663 L664 D668 D732 A733 | P661-R724 PolarHBondContact O-NH1 2.88Å; R662-R724 VanDerWaalsContact O-CG 3.31Å; R662-R724 WeakPolarHBondContact O-CG 3.08Å; R662-R724 PolarHBondContact O-N 3.2Å; G663-R724 PolarHBondContact O-NH1 2.78Å; L664-R724 HydrophobicContact CD1-CB 3.68Å; L664-R724 HydrophobicContact CD1-CG 4.02Å; D668-R724 IonicContact OD2-NH2 3.02Å; R724-D732 WeakPolarHBondContact CB-OD2 3.34Å; R724-A733 WeakPolarHBondContact O-CB 3.37Å; R724-A733 PolarHBondContact O-N 2.82Å |
| 725 | T | 95.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 29% | 0.288 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -111.6 | 153.5 | -164 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | W719 N723 R730 A731 | W719-T725 PolarHBondContact NE1-O 3.22Å; N723-T725 PolarHBondContact O-N 3.33Å; T725-R730 WeakPolarHBondContact CB-O 3.35Å; T725-R730 VanDerWaalsContact CG2-O 3.22Å; T725-R730 WeakPolarHBondContact CG2-O 3.12Å; T725-A731 CarbonylContact C-O 3.4Å; T725-A731 VanDerWaalsContact CA-O 3.27Å; T725-A731 WeakPolarHBondContact CA-O 3.43Å |
| 726 | C | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | | | trans | -60.7 | 130.3 | 174.1 | 176.8 | 0 | 0 | 0 | 0 | 112.1 | L705 C707 I728 R730 A731 | L705-C726 HydrophobicContact CD1-CB 3.78Å; C707-C726 VanDerWaalsContact SG-SG 3.69Å; C726-I728 PolarHBondContact O-N 3.33Å; C726-I728 VanDerWaalsContact O-N 3.12Å; C726-I728 PolarHBondContact SG-N 3.04Å; C726-I728 VanDerWaalsContact SG-N 3.4Å; C726-R730 VanDerWaalsContact O-CA 3.24Å; C726-R730 WeakPolarHBondContact O-CA 3.24Å; C726-R730 PolarHBondContact O-N 3.34Å; C726-A731 PolarHBondContact N-O 2.85Å |
| 727 | P | 97.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 70.8 Ų | 70.8 | 26% | 0.26 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.1 | 175.1 | -26.4 | 32.4 | 0 | 0 | 0 | 115.9 | V691 F711 W719 | V691-P727 HydrophobicContact CG2-CB 4.07Å; V691-P727 HydrophobicContact CG2-CG 3.81Å; F711-P727 HydrophobicContact CD1-CG 4.41Å; F711-P727 HydrophobicContact CE1-CB 3.86Å; F711-P727 HydrophobicContact CE1-CG 3.68Å; F711-P727 HydrophobicContact CZ-CB 4.15Å; F711-P727 HydrophobicContact CZ-CG 3.87Å; W719-P727 HydrophobicContact CD2-CG 4.11Å; W719-P727 HydrophobicContact CG-CG 3.95Å |
| 728 | I | 96.5 | Very high | 90 | Very high | 72 Ų | 72 | 80 Ų | 80 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -67.5 | -175.5 | -61.9 | 168.3 | 0 | 0 | 0 | 110.4 | V690 H709 F711 C726 | V690-I728 HydrophobicContact CG1-CD1 4.18Å; V690-I728 HydrophobicContact CG2-CD1 3.71Å; V690-I728 HydrophobicContact CG2-CG1 3.61Å; H709-I728 HydrophobicContact CB-CD1 4.39Å; H709-I728 VanDerWaalsContact CD2-CD1 3.47Å; H709-I728 WeakPolarHBondContact CD2-CD1 3.47Å; H709-I728 WeakPolarHBondContact NE2-CG2 3.39Å; F711-I728 HydrophobicContact CE1-CD1 3.99Å; F711-I728 HydrophobicContact CE1-CG1 4.23Å; F711-I728 HydrophobicContact CZ-CD1 3.84Å; F711-I728 HydrophobicContact CZ-CG1 4.08Å; C726-I728 PolarHBondContact O-N 3.33Å; C726-I728 VanDerWaalsContact O-N 3.12Å; C726-I728 PolarHBondContact SG-N 3.04Å; C726-I728 VanDerWaalsContact SG-N 3.4Å |
| 729 | C | 96.4 | Very high | 87.7 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.6 | -173.9 | 65.4 | 0 | 0 | 0 | 0 | 115.3 | A731 | C729-A731 PolarHBondContact O-N 3.34Å; C729-A731 VanDerWaalsContact O-N 3.1Å |
| 730 | R | 94.8 | Very high | 85.2 | Confident | 204 Ų | 204 | 79 Ų | 79 | 77% | 0.77 | 42% | 0.415 | S | S | * | . | | | trans | 60.9 | 4.8 | -176.1 | -52.8 | -177.8 | -178.8 | -176 | 1.1 | 117.2 | T725 C726 | T725-R730 WeakPolarHBondContact CB-O 3.35Å; T725-R730 VanDerWaalsContact CG2-O 3.22Å; T725-R730 WeakPolarHBondContact CG2-O 3.12Å; C726-R730 VanDerWaalsContact O-CA 3.24Å; C726-R730 WeakPolarHBondContact O-CA 3.24Å; C726-R730 PolarHBondContact O-N 3.34Å |
| 731 | A | 95.2 | Very high | 82.2 | Confident | 26 Ų | 26 | 91.6 Ų | 91.6 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | | | trans | -55.2 | 149.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C707 T725 C726 C729 | C707-A731 HydrophobicContact CB-CB 3.98Å; T725-A731 CarbonylContact C-O 3.4Å; T725-A731 VanDerWaalsContact CA-O 3.27Å; T725-A731 WeakPolarHBondContact CA-O 3.43Å; C726-A731 PolarHBondContact N-O 2.85Å; C729-A731 PolarHBondContact O-N 3.34Å; C729-A731 VanDerWaalsContact O-N 3.1Å |
| 732 | D | 93.9 | Very high | 81.6 | Confident | 43 Ų | 43 | 90.3 Ų | 90.3 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 136.9 | 176.3 | -161.9 | -67.1 | 0 | 0 | 0 | 110 | R724 S734 E735 | R724-D732 WeakPolarHBondContact CB-OD2 3.34Å; D732-S734 WeakPolarHBondContact OD1-CA 3.33Å; D732-S734 WeakPolarHBondContact OD1-CB 3.05Å; D732-S734 PolarHBondContact OD1-N 3.48Å; D732-S734 PolarHBondContact OD1-OG 2.67Å; D732-E735 HydrophobicContact CB-CG 4.4Å |
| 733 | A | 94.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 92.2 Ų | 92.2 | 0% | 0 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -86 | -8.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L664 L672 L705 L720 R724 | L664-A733 HydrophobicContact CD2-CB 4.31Å; L672-A733 WeakPolarHBondContact CD2-O 3.12Å; L705-A733 HydrophobicContact CD1-CB 4.41Å; L705-A733 HydrophobicContact CD2-CB 4.31Å; L720-A733 HydrophobicContact CD1-CB 4.35Å; L720-A733 HydrophobicContact CD2-CB 3.5Å; R724-A733 WeakPolarHBondContact O-CB 3.37Å; R724-A733 PolarHBondContact O-N 2.82Å |
| 734 | S | 89.5 | Confident | 80.2 | Confident | 57 Ų | 57 | 94.1 Ų | 94.1 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -100 | -13.8 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | D732 | D732-S734 WeakPolarHBondContact OD1-CA 3.33Å; D732-S734 WeakPolarHBondContact OD1-CB 3.05Å; D732-S734 PolarHBondContact OD1-N 3.48Å; D732-S734 PolarHBondContact OD1-OG 2.67Å |
| 735 | E | 83.4 | Confident | 79.3 | Confident | 142 Ų | 142 | 97.1 Ų | 97.1 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -93 | 126.3 | 172.9 | -64.3 | -173.3 | 174.2 | 0 | 0 | 109.9 | P706 D732 Q737 | P706-E735 VanDerWaalsContact CB-O 3.29Å; P706-E735 WeakPolarHBondContact CB-O 3.27Å; P706-E735 WeakPolarHBondContact CG-O 3.48Å; D732-E735 HydrophobicContact CB-CG 4.4Å; E735-Q737 PolarHBondContact O-N 3.45Å |
| 736 | V | 71.9 | Confident | 78.3 | Confident | 115 Ų | 115 | 100.3 Ų | 100.3 | 70% | 0.697 | 52% | 0.515 | S | S | * | . | | | trans | -70.4 | 115.6 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 107.1 | R738 | V736-R738 VanDerWaalsContact C-N 3.3Å; V736-R738 PolarHBondContact O-N 3.31Å |
| 737 | Q | 61.3 | Low | 77 | Confident | 116 Ų | 116 | 106.9 Ų | 106.9 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | | | trans | -60.5 | 97.1 | 169.2 | -168.7 | 76.4 | 43.8 | 0 | 0 | 107.1 | E735 D739 | E735-Q737 PolarHBondContact O-N 3.45Å; Q737-D739 PolarHBondContact O-N 3.42Å |
| 738 | R | 52.9 | Low | 75.6 | Confident | 220 Ų | 220 | 111.6 Ų | 111.6 | 83% | 0.83 | 57% | 0.569 | S | S | * | * | | | trans | -71.1 | 113 | 164.9 | -69.5 | -172.7 | -66.4 | 149.2 | 1.1 | 105.5 | V736 A740 | V736-R738 VanDerWaalsContact C-N 3.3Å; V736-R738 PolarHBondContact O-N 3.31Å; R738-A740 PolarHBondContact O-N 3.42Å |
| 739 | D | 48.7 | Very low | 74 | Confident | 137 Ų | 137 | 114.7 Ų | 114.7 | 73% | 0.733 | 58% | 0.584 | S | S | * | * | | | trans | -54.9 | 130.6 | 174.2 | -62.9 | -59.1 | 0 | 0 | 0 | 108.8 | Q737 E741 | Q737-D739 PolarHBondContact O-N 3.42Å; D739-E741 PolarHBondContact O-N 3.45Å |
| 740 | A | 44.5 | Very low | 72.1 | Confident | 107 Ų | 107 | 119.4 Ų | 119.4 | 88% | 0.884 | 60% | 0.6 | S | S | * | * | | | trans | -85.5 | 97 | 178.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | R738 | R738-A740 PolarHBondContact O-N 3.42Š|
| 741 | E | 34.8 | Very low | 70.1 | Confident | 266 Ų | 266 | 111.7 Ų | 111.7 | 100% | 1.243 | 59% | 0.585 | S | S | * | * | | | trans | -68.5 | 0 | 176.5 | -158.3 | 175.2 | 123.8 | 0 | 0 | 112.3 | D739 | D739-E741 PolarHBondContact O-N 3.45Š|