| 1 | M | 39.3 | Very low | 33.5 | Very low | 246 Ų | 246 | 153.3 Ų | 153.3 | 100% | 1.212 | 80% | 0.801 | S | S | * | * | | | | 0 | 128.7 | 0 | -69.1 | 158.9 | 64 | 0 | 0 | 108.5 | | |
| 2 | S | 31.8 | Very low | 34.3 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -169.6 | 134.1 | 146.1 | -168.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 3 | S | 36.2 | Very low | 34 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -124.4 | 146.8 | -179 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | Q | 28.6 | Very low | 33.9 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | -145.2 | 153.8 | 159.9 | -98.7 | -67.7 | 27.3 | 0 | 0 | 109.8 | | |
| 5 | Q | 32.3 | Very low | 33.6 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 71% | 0.71 | 79% | 0.789 | S | S | * | * | | | trans | -145.3 | 135.7 | -167.6 | -98 | -171.6 | -9.7 | 0 | 0 | 114 | | |
| 6 | F | 28.1 | Very low | 33.4 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | | | trans | 64.4 | 176.8 | 144.2 | -74.1 | -49.9 | 0 | 0 | 0 | 119.8 | | |
| 7 | P | 54 | Low | 33.1 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | cis | -137.5 | 174.3 | -15.9 | 18.3 | 6.8 | 0 | 0 | 0 | 118.3 | | |
| 8 | R | 33.9 | Very low | 33 | Very low | 207 Ų | 207 | 127.4 Ų | 127.4 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | | | trans | 75 | 154.9 | 144.6 | -80.6 | 161.2 | -171.6 | -112.1 | 4.4 | 119.9 | | |
| 9 | H | 28.2 | Very low | 32.9 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | | | cis | -144.8 | -177.1 | 6 | -119.8 | -65.5 | 0 | 0 | 0 | 109.9 | | |
| 10 | G | 27 | Very low | 32.7 | Very low | 52 Ų | 52 | 126.3 Ų | 126.3 | 54% | 0.536 | 73% | 0.734 | S | S | . | * | | | cis | -176.9 | -12.6 | 3 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 11 | L | 29.3 | Very low | 32.5 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | | | trans | 65.3 | -165.4 | -177.1 | -56.9 | 175.6 | 0 | 0 | 0 | 115.8 | | |
| 12 | P | 42.9 | Very low | 32.4 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | | | | -131.3 | -169.2 | 67.3 | 39.8 | -24.7 | 0 | 0 | 0 | 113.9 | | |
| 13 | A | 30.9 | Very low | 32.1 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | | | cis | -173.5 | -173.9 | -40 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 14 | V | 31.7 | Very low | 32.2 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 88% | 0.879 | 70% | 0.699 | S | S | * | * | | | trans | 74.3 | 149.6 | 172.9 | -176.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 15 | S | 29.2 | Very low | 32.1 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | | | cis | -141.3 | -174.6 | 16 | -146.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 16 | G | 30.2 | Very low | 32 | Very low | 42 Ų | 42 | 111.8 Ų | 111.8 | 43% | 0.433 | 68% | 0.684 | S | S | . | * | | | cis | 97.1 | 119.3 | -0.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 17 | G | 29.5 | Very low | 32.1 | Very low | 49 Ų | 49 | 110.6 Ų | 110.6 | 51% | 0.505 | 69% | 0.685 | S | S | . | * | | | cis | -178.4 | 177.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 115 | E719 | G17-E719 WeakPolarHBondContact CA-OE1 3.39Å; G17-E719 WeakPolarHBondContact CA-OE2 3.35Å |
| 18 | A | 30.2 | Very low | 31 | Very low | 70 Ų | 70 | 112.4 Ų | 112.4 | 58% | 0.579 | 69% | 0.694 | S | S | * | * | | | trans | 64 | 148.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 123 | E719 | A18-E719 PolarHBondContact N-OE1 3.04Š|
| 19 | A | 31.6 | Very low | 31.4 | Very low | 64 Ų | 64 | 107.9 Ų | 107.9 | 53% | 0.529 | 69% | 0.692 | S | S | . | * | | | cis | -169.1 | 147.4 | -23.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 20 | Q | 28.6 | Very low | 31.4 | Very low | 169 Ų | 169 | 106.6 Ų | 106.6 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | | | trans | 53.2 | 108.3 | 142.2 | -64 | 179.3 | 1.5 | 0 | 0 | 124.9 | | |
| 21 | I | 28.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 111 Ų | 111 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | | | | 26.3 | 140.3 | 100.8 | -67.1 | 173.1 | 0 | 0 | 0 | 117.9 | | |
| 22 | P | 36.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 111.7 Ų | 111.7 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | | | cis | -137 | -172.4 | 30.8 | 26.5 | -0.1 | 0 | 0 | 0 | 118.7 | | |
| 23 | A | 25.4 | Very low | 31.9 | Very low | 76 Ų | 76 | 110.8 Ų | 110.8 | 63% | 0.628 | 70% | 0.699 | S | S | * | * | | | trans | -71.1 | 179.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 24 | P | 38.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 112.2 Ų | 112.2 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | | | cis | -148.9 | 179.3 | 23.6 | 45.8 | -25.1 | 0 | 0 | 0 | 120.6 | | |
| 25 | A | 27.7 | Very low | 31.6 | Very low | 82 Ų | 82 | 113 Ų | 113 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | | | trans | 74 | 113.2 | 145 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 26 | N | 28.6 | Very low | 32.9 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | | | trans | 75.1 | 148.7 | 132.5 | -150 | -6.2 | 0 | 0 | 0 | 121.1 | E711 | N26-E711 PolarHBondContact N-OE1 3.28Š|
| 27 | L | 31 | Very low | 33.6 | Very low | 155 Ų | 155 | 117.2 Ų | 117.2 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | | | trans | 76.6 | 127.4 | 170.7 | -56.5 | 179.3 | 0 | 0 | 0 | 120.2 | | |
| 28 | V | 32 | Very low | 33.6 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | | | trans | -71 | 163 | 168.9 | -113.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 29 | P | 40.6 | Very low | 33.5 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | cis | -152.4 | -169.7 | 40.1 | 41.9 | -18.6 | 0 | 0 | 0 | 119.1 | | |
| 30 | V | 29.2 | Very low | 33.4 | Very low | 128 Ų | 128 | 124 Ų | 124 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | 88.2 | 89.3 | 156.6 | 179.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 31 | N | 29.8 | Very low | 33.5 | Very low | 145 Ų | 145 | 119 Ų | 119 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | | | | 54.9 | 105.1 | 110.5 | -158.5 | 35.2 | 0 | 0 | 0 | 122.5 | | |
| 32 | Q | 28.7 | Very low | 33.5 | Very low | 185 Ų | 185 | 121.5 Ų | 121.5 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | | -175.1 | 166.8 | 123.2 | -100.4 | -159.4 | 17.5 | 0 | 0 | 112.8 | | |
| 33 | P | 51.4 | Low | 33 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | -116.2 | 163.2 | -162.7 | 41.2 | -33.5 | 0 | 0 | 0 | 117 | | |
| 34 | S | 28 | Very low | 33.1 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | | 167.5 | 121.8 | 122.5 | -77.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 35 | N | 27.6 | Very low | 32.7 | Very low | 162 Ų | 162 | 122 Ų | 122 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | 77.1 | 173.6 | 139.4 | -106.9 | 2.9 | 0 | 0 | 0 | 121.7 | | |
| 36 | P | 56.8 | Low | 32.6 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | trans | -127 | -146.6 | -136.1 | 43.4 | -21 | 0 | 0 | 0 | 112.5 | | |
| 37 | P | 45.7 | Very low | 32.7 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | cis | -138.7 | 172.2 | -11.1 | 41.5 | -22.7 | 0 | 0 | 0 | 118.3 | | |
| 38 | G | 27.9 | Very low | 32.6 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 80.3 | 172.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 39 | A | 29.4 | Very low | 32.7 | Very low | 95 Ų | 95 | 127 Ų | 127 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | cis | -167.1 | 133.2 | -21.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 40 | V | 29.1 | Very low | 32 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | | | trans | 61.2 | 127.6 | 154.8 | -173.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 41 | G | 30.8 | Very low | 32.4 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | trans | 147.1 | 167.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 42 | E | 27.9 | Very low | 32.3 | Very low | 190 Ų | 190 | 127.3 Ų | 127.3 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | | | cis | -168.6 | 167.6 | -22.2 | -109 | -42 | -41.4 | 0 | 0 | 110.7 | | |
| 43 | G | 27.6 | Very low | 32.5 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | 137.6 | 148.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 44 | D | 26.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -139.4 | 132.5 | -164.2 | -172.6 | -116.4 | 0 | 0 | 0 | 117.4 | | |
| 45 | S | 29 | Very low | 31.6 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | trans | 67.4 | 160.6 | 142.8 | -158.7 | 0 | 0 | 0 | 0 | 126 | | |
| 46 | S | 26 | Very low | 31.8 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | 76.9 | 153.1 | 164.2 | -65.4 | 0 | 0 | 0 | 0 | 121 | | |
| 47 | R | 32.1 | Very low | 32.1 | Very low | 229 Ų | 229 | 128.9 Ų | 128.9 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | cis | -169.2 | 174.8 | -34.7 | -124.7 | 172.8 | 179.8 | 163.6 | -0.1 | 111.5 | | |
| 48 | E | 28.5 | Very low | 32.6 | Very low | 190 Ų | 190 | 129.5 Ų | 129.5 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -90.7 | 170.9 | -170.8 | -60.9 | 132.2 | 72.1 | 0 | 0 | 117.8 | | |
| 49 | G | 33.3 | Very low | 33.2 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | 175 | 148.9 | 158 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 50 | D | 26.5 | Very low | 33.4 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | 81.4 | 155.5 | 153.8 | -133.3 | -109.3 | 0 | 0 | 0 | 123.6 | | |
| 51 | H | 38.1 | Very low | 33.5 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | | -163.2 | 175.2 | -74.1 | -93.5 | 11.4 | 0 | 0 | 0 | 115.7 | | |
| 52 | G | 26.7 | Very low | 33.6 | Very low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | 139.6 | 147.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 53 | Q | 33.8 | Very low | 33.8 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | cis | 88.8 | 141 | 5.7 | -67.1 | -175.1 | -90.6 | 0 | 0 | 119.2 | | |
| 54 | Q | 30.2 | Very low | 34.6 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | | | cis | -172 | 166 | -14.3 | -173 | 179.2 | -56.1 | 0 | 0 | 113.1 | | |
| 55 | D | 29.3 | Very low | 35.1 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 57% | 0.572 | 79% | 0.791 | S | S | * | * | | | trans | 110.9 | 178.6 | 141.7 | -126.8 | -87.2 | 0 | 0 | 0 | 123.4 | | |
| 56 | H | 32.5 | Very low | 35.8 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | | | trans | -118.9 | -103 | -138.3 | -59.6 | -69.5 | 0 | 0 | 0 | 122.7 | | |
| 57 | P | 63.5 | Low | 36.3 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | | -110.5 | -176.8 | -120.5 | 32.2 | -15.4 | 0 | 0 | 0 | 116.1 | | |
| 58 | P | 56.4 | Low | 36.4 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | | | cis | -140.4 | -136.3 | 19.7 | 44.7 | -21.6 | 0 | 0 | 0 | 116.8 | | |
| 59 | A | 39 | Very low | 36.9 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | | | trans | -151.9 | 167.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 60 | T | 34.3 | Very low | 37.1 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | | | trans | 167.6 | 143.6 | 147.9 | -74.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 61 | G | 31.1 | Very low | 37.8 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | 111.1 | 131 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 62 | G | 32.3 | Very low | 37.8 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | | | trans | -140.2 | -174.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 63 | G | 33.3 | Very low | 38.4 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | 172 | 141.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 64 | A | 43.3 | Very low | 38.3 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | | | trans | -110.5 | 159.9 | -158.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 65 | T | 38.1 | Very low | 38.8 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 96% | 0.957 | 78% | 0.782 | S | S | * | * | | | trans | -177.7 | 179.2 | 135.7 | 22.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 66 | L | 44.4 | Very low | 39.1 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | -103.9 | 147.7 | -165.5 | -69.4 | 164.7 | 0 | 0 | 0 | 114.9 | | |
| 67 | A | 36.7 | Very low | 39.1 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | | 154.1 | 132.7 | 113.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 68 | F | 33.5 | Very low | 37.6 | Very low | 203 Ų | 203 | 132.4 Ų | 132.4 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | 46 | 119.7 | 147.3 | -90 | -82.6 | 0 | 0 | 0 | 124.3 | | |
| 69 | R | 39.2 | Very low | 36.3 | Very low | 211 Ų | 211 | 136.8 Ų | 136.8 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | | 97.4 | 138.5 | 125.3 | -144.4 | -164.1 | 162.1 | 146.5 | 0.7 | 122.2 | | |
| 70 | D | 38 | Very low | 37.2 | Very low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | | | trans | 72.6 | 126.4 | 150 | -100.9 | -121.9 | 0 | 0 | 0 | 123 | | |
| 71 | D | 39.6 | Very low | 36.9 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 65% | 0.647 | 78% | 0.779 | S | S | * | * | | | trans | 22.6 | 134.2 | 142.9 | -158.2 | -97.5 | 0 | 0 | 0 | 123.6 | | |
| 72 | K | 39.8 | Very low | 38.1 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 73% | 0.726 | 77% | 0.773 | S | S | * | * | | | trans | -176.4 | 132.3 | 136 | -99.4 | 156.1 | 178.2 | -67 | 0 | 112 | | |
| 73 | Q | 37.6 | Very low | 38 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | | | | 72.7 | 102.8 | 79.6 | -63.9 | 178.6 | -6.3 | 0 | 0 | 117 | | |
| 74 | E | 33.2 | Very low | 37.8 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | | | | 49.7 | 138.2 | 120.7 | -102.9 | -166.8 | 98.7 | 0 | 0 | 124.6 | | |
| 75 | T | 39.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | | | | 99.3 | 119.9 | 125.9 | -83.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 76 | M | 34.7 | Very low | 36.7 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | 73.8 | 122.3 | 145.1 | -82.3 | -163 | -60.4 | 0 | 0 | 127 | | |
| 77 | V | 34.1 | Very low | 35.9 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | | | | 84.9 | 105.2 | 117.9 | 170.7 | 0 | 0 | 0 | 0 | 124.5 | | |
| 78 | V | 31.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | | 81.6 | 111.2 | 125.5 | 173.5 | 0 | 0 | 0 | 0 | 125.4 | | |
| 79 | R | 30 | Very low | 35.1 | Very low | 226 Ų | 226 | 145.9 Ų | 145.9 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | trans | 64.6 | 176.2 | 136.3 | -75.8 | -174.1 | 174.8 | 147.2 | -3.9 | 122 | | |
| 80 | P | 56.9 | Low | 35 | Very low | 96 Ų | 96 | 141 Ų | 141 | 62% | 0.623 | 73% | 0.727 | S | S | * | * | | | cis | -145.5 | -179.5 | -47.5 | 42.8 | -25.7 | 0 | 0 | 0 | 118.3 | | |
| 81 | Y | 27.7 | Very low | 34.3 | Very low | 221 Ų | 221 | 143.2 Ų | 143.2 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | trans | 73.5 | 171.6 | 149.9 | -78.9 | -48.8 | 0 | 0 | 0 | 121.7 | | |
| 82 | P | 56.6 | Low | 33.7 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | | | cis | -138.8 | 170.4 | -1 | 39.8 | -20.9 | 0 | 0 | 0 | 120.2 | | |
| 83 | Q | 29.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | 69.2 | 156.9 | 143.5 | -90.2 | 178.9 | -19.7 | 0 | 0 | 122.9 | | |
| 84 | V | 30.6 | Very low | 32.8 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | | | cis | -116.8 | -154 | 31.9 | -61.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 85 | Q | 31.9 | Very low | 32.3 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 56% | 0.556 | 75% | 0.745 | S | S | * | * | | | trans | -153.9 | 133.5 | -162.2 | 177.1 | -178.4 | -76.2 | 0 | 0 | 116.6 | H87 | Q85-H87 PolarHBondContact NE2-CD2 3.18Å; Q85-H87 PolarHBondContact NE2-CE1 3.08Å; Q85-H87 PolarHBondContact NE2-NE2 3.02Å; Q85-H87 VanDerWaalsContact NE2-NE2 3.11Å; Q85-H87 PolarHBondContact O-ND1 3.07Å; Q85-H87 VanDerWaalsContact O-ND1 3.1Å |
| 86 | M | 26.2 | Very low | 31.6 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | | | trans | -128.1 | 86.8 | 150.2 | -78.1 | -108.6 | 85.8 | 0 | 0 | 107.7 | | |
| 87 | H | 28 | Very low | 31.1 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 62% | 0.616 | 76% | 0.755 | S | S | * | * | | | | 79.1 | 119.9 | 84.6 | -77.6 | 105.1 | 0 | 0 | 0 | 113.7 | Q85 | Q85-H87 PolarHBondContact NE2-CD2 3.18Å; Q85-H87 PolarHBondContact NE2-CE1 3.08Å; Q85-H87 PolarHBondContact NE2-NE2 3.02Å; Q85-H87 VanDerWaalsContact NE2-NE2 3.11Å; Q85-H87 PolarHBondContact O-ND1 3.07Å; Q85-H87 VanDerWaalsContact O-ND1 3.1Å |
| 88 | G | 26.7 | Very low | 30.7 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | cis | 173.2 | 155 | -9.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 89 | Q | 26.5 | Very low | 30.3 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | 62.1 | 161.7 | 163.7 | -86.8 | -169.1 | -72.1 | 0 | 0 | 120 | | |
| 90 | P | 35.6 | Very low | 30.5 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | cis | -121.1 | -180 | -7.3 | 28.8 | -8.3 | 0 | 0 | 0 | 115.4 | | |
| 91 | Q | 24.7 | Very low | 29.3 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -58.7 | 153.2 | 179 | -49.3 | 122.8 | -93.2 | 0 | 0 | 114.4 | | |
| 92 | A | 26.2 | Very low | 29.3 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | | -164.6 | 130.8 | 123.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 93 | G | 23.6 | Very low | 28.1 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | -93.3 | 169.5 | 135.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 94 | P | 34.5 | Very low | 28.5 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | | -144.7 | -173.7 | 57.1 | 40.5 | -22.6 | 0 | 0 | 0 | 115.5 | | |
| 95 | Q | 24 | Very low | 28.3 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | -55 | 153.5 | 159 | -49.6 | 170.5 | 33.6 | 0 | 0 | 111.7 | | |
| 96 | T | 24.7 | Very low | 28 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | | | trans | -125.8 | 142.2 | 143.3 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 97 | V | 24.8 | Very low | 28.2 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | trans | -100.5 | -179.2 | 170.4 | -178 | 0 | 0 | 0 | 0 | 107.3 | | |
| 98 | S | 24 | Very low | 28.4 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | trans | 94.8 | 103.7 | 178 | -146.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 99 | I | 24.7 | Very low | 28.2 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | | | | 87.9 | 133.8 | 63.3 | -67 | 159.9 | 0 | 0 | 0 | 112.2 | | |
| 100 | Q | 34.1 | Very low | 28.5 | Very low | 178 Ų | 178 | 114.7 Ų | 114.7 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | | | trans | -68.3 | 143.8 | -179.3 | -157.9 | -160.5 | 92.6 | 0 | 0 | 111.6 | | |
| 101 | P | 30.2 | Very low | 28.1 | Very low | 118 Ų | 118 | 115.3 Ų | 115.3 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | | | | -156.3 | 161.2 | 107.4 | 38.6 | -20.8 | 0 | 0 | 0 | 117.4 | | |
| 102 | G | 27.8 | Very low | 28.2 | Very low | 75 Ų | 75 | 113.6 Ų | 113.6 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | | | trans | 89.3 | 156.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 103 | A | 31.3 | Very low | 28.3 | Very low | 81 Ų | 81 | 116.8 Ų | 116.8 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | | | trans | -142.7 | 127.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 104 | P | 39.7 | Very low | 28.7 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | | | trans | -154.9 | 165.3 | 147.7 | 37.7 | -19.4 | 0 | 0 | 0 | 116.5 | H699 M700 | P104-H699 CarbonylContact C-O 3.59Å; P104-H699 WeakPolarHBondContact CA-O 3.45Å; P104-M700 CarbonylContact O-C 3.45Å |
| 105 | V | 26.1 | Very low | 29.3 | Very low | 97 Ų | 97 | 119 Ų | 119 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | | | cis | -163.3 | 143.4 | -35.5 | 115.4 | 0 | 0 | 0 | 0 | 110.6 | H699 | V105-H699 WeakPolarHBondContact CA-O 3.1Å; V105-H699 HydrophobicContact CG2-CB 4.04Å; V105-H699 PolarHBondContact N-O 3.33Å |
| 106 | T | 25.4 | Very low | 29.6 | Very low | 76 Ų | 76 | 120 Ų | 120 | 47% | 0.466 | 72% | 0.724 | S | S | . | * | | | trans | 44.3 | 127.4 | 159.6 | -60.1 | 0 | 0 | 0 | 0 | 125.2 | M700 | T106-M700 VanDerWaalsContact C-SD 3.53Š|
| 107 | L | 30.4 | Very low | 29.6 | Very low | 115 Ų | 115 | 116.7 Ų | 116.7 | 60% | 0.602 | 72% | 0.718 | S | S | * | * | | | trans | 30.9 | 151.2 | 142.5 | -54.6 | 174.4 | 0 | 0 | 0 | 123.6 | M700 | L107-M700 HydrophobicContact CD2-CE 4.06Å; L107-M700 PolarHBondContact N-SD 2.74Å |
| 108 | P | 31.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | | | | -125.3 | 163.9 | 86.2 | 6.8 | 16.2 | 0 | 0 | 0 | 113.3 | | |
| 109 | A | 23.3 | Very low | 31.1 | Very low | 80 Ų | 80 | 119.5 Ų | 119.5 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | | | cis | 76.5 | 136.5 | 42.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 110 | P | 32.3 | Very low | 31.3 | Very low | 125 Ų | 125 | 117.5 Ų | 117.5 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | | | cis | -118.6 | 174.8 | 48 | 16.9 | 5.6 | 0 | 0 | 0 | 114.8 | | |
| 111 | T | 26.3 | Very low | 31 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | | | cis | 127 | 146.9 | 2.5 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 112 | V | 27.3 | Very low | 31 | Very low | 132 Ų | 132 | 116 Ų | 116 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | | | trans | 102.2 | 128 | -172 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 113 | H | 28.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 117.6 Ų | 117.6 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | | | cis | -136.8 | -158.4 | 4.2 | -156.6 | -113.1 | 0 | 0 | 0 | 113.3 | | |
| 114 | L | 32.8 | Very low | 31 | Very low | 140 Ų | 140 | 121 Ų | 121 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | | | trans | -138.1 | 176 | -176.5 | -124.2 | 65.3 | 0 | 0 | 0 | 109.8 | | |
| 115 | P | 46.1 | Very low | 30.6 | Very low | 98 Ų | 98 | 119.5 Ų | 119.5 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | cis | -124.3 | -151.6 | -11.6 | 37.6 | -16 | 0 | 0 | 0 | 110.4 | | |
| 116 | Q | 29.8 | Very low | 30.9 | Very low | 190 Ų | 190 | 122.1 Ų | 122.1 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | | | cis | -161.4 | 173.1 | -0.8 | -149.6 | 150.2 | -85.2 | 0 | 0 | 110.7 | | |
| 117 | G | 26.7 | Very low | 31.1 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | | | trans | 118.5 | 142.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 118 | Q | 33.9 | Very low | 31.4 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | -154.7 | 173 | -172.8 | -107.7 | -153.4 | 3.4 | 0 | 0 | 111 | | |
| 119 | P | 44.8 | Very low | 31.3 | Very low | 95 Ų | 95 | 130 Ų | 130 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | | | cis | -138.4 | -160.5 | -25.5 | 37.1 | -17 | 0 | 0 | 0 | 113.8 | | |
| 120 | S | 29.9 | Very low | 31.7 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 83.5 | 148.4 | 152.9 | -72.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 121 | V | 28.2 | Very low | 31.6 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | | | cis | -169 | 149 | -28.7 | 96.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 122 | L | 29.5 | Very low | 32 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | 60.7 | 158.6 | 162.9 | -99.5 | 67.1 | 0 | 0 | 0 | 119.6 | | |
| 123 | T | 30.7 | Very low | 32.9 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | cis | -155.4 | 165.4 | -17 | -16 | 0 | 0 | 0 | 0 | 109.6 | | |
| 124 | D | 29.1 | Very low | 33.1 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | 38.7 | 157 | 154.2 | -92.1 | -106 | 0 | 0 | 0 | 122.7 | | |
| 125 | G | 30.8 | Very low | 33.3 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | cis | 135.5 | 150.2 | 13.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 126 | Q | 30.9 | Very low | 32.9 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | cis | -160.2 | 139.1 | -9.9 | -160.8 | -167.7 | 30.1 | 0 | 0 | 110.8 | | |
| 127 | M | 30.7 | Very low | 32.9 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | | | trans | 49.2 | 158.7 | 154.6 | 73 | -171.1 | 175.2 | 0 | 0 | 124.7 | | |
| 128 | K | 36 | Very low | 33.7 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -96.1 | 154.4 | -179.7 | -65.6 | 176 | 177.2 | 173.7 | 0 | 113.6 | | |
| 129 | A | 30.4 | Very low | 33.5 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -148.7 | 178.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 130 | V | 31.9 | Very low | 32.8 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | | | trans | -129.4 | 140.9 | -165.9 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 131 | H | 28.9 | Very low | 32.7 | Very low | 184 Ų | 184 | 142 Ų | 142 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | | | trans | 167.8 | 176.5 | 130.7 | -92.6 | -77.6 | 0 | 0 | 0 | 112.7 | | |
| 132 | K | 36 | Very low | 33.1 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | -121.2 | 179.3 | -168.8 | -60.9 | -177.7 | 177.1 | -175.8 | 0 | 111.2 | | |
| 133 | P | 46 | Very low | 33.2 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | | -132.3 | -173.8 | -54.6 | 39.8 | -24.1 | 0 | 0 | 0 | 111.9 | | |
| 134 | P | 31.9 | Very low | 33.4 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | | | trans | -136.6 | 172.7 | 139.4 | 35.5 | -21.2 | 0 | 0 | 0 | 115.5 | | |
| 135 | I | 37.6 | Very low | 33.2 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -138.3 | 136.9 | -177.7 | -73.8 | 174.8 | 0 | 0 | 0 | 105.3 | | |
| 136 | P | 37.9 | Very low | 33 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | | -137.8 | -177.7 | 66.6 | 36.3 | -14 | 0 | 0 | 0 | 113.4 | | |
| 137 | S | 29.8 | Very low | 32.8 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | cis | -152 | 172.1 | 33.1 | -64.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 138 | R | 41.9 | Very low | 32.5 | Very low | 237 Ų | 237 | 138.9 Ų | 138.9 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | trans | -89.3 | 161.9 | 170.1 | -64.8 | 173.4 | 168.6 | -122 | 1.1 | 111.6 | | |
| 139 | L | 30.9 | Very low | 32 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | -164.7 | 131.8 | 139.7 | -100.9 | 169.6 | 0 | 0 | 0 | 112.6 | | |
| 140 | I | 30.4 | Very low | 31.9 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | | | trans | 66.5 | 161.2 | 149.4 | -70.2 | 173.3 | 0 | 0 | 0 | 120.9 | | |
| 141 | A | 27.7 | Very low | 31.9 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | -105.1 | -150.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 142 | P | 37.2 | Very low | 32.1 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | cis | -128.4 | -174.8 | 8.8 | 44.1 | -27.3 | 0 | 0 | 0 | 115 | | |
| 143 | A | 30.6 | Very low | 31.5 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -94.3 | 160.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 144 | P | 34.7 | Very low | 30.6 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -127.4 | 174.7 | 139.4 | 38.2 | -30 | 0 | 0 | 0 | 112.1 | | |
| 145 | A | 25.8 | Very low | 30.2 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -137.3 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 146 | S | 26.1 | Very low | 29.7 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | 79.8 | 138.1 | 161.7 | -149.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 147 | N | 25.6 | Very low | 29.3 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | 65.7 | 160.2 | 157.4 | -62.7 | -24.9 | 0 | 0 | 0 | 118.4 | | |
| 148 | Q | 25.6 | Very low | 29.4 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | cis | -166.4 | 150.1 | -32.6 | -179 | 176.1 | 8.6 | 0 | 0 | 108.2 | | |
| 149 | A | 25.4 | Very low | 28.9 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | 69.8 | 167.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 150 | H | 28.6 | Very low | 28.8 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | | | trans | 74 | 120.6 | 166.6 | -106.8 | -76.4 | 0 | 0 | 0 | 122.5 | | |
| 151 | I | 30.7 | Very low | 28.8 | Very low | 149 Ų | 149 | 127 Ų | 127 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | -101.9 | 138.4 | 157.3 | -26.2 | 175.8 | 0 | 0 | 0 | 106.2 | | |
| 152 | P | 33.6 | Very low | 29.1 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | | -142.2 | 165.9 | 100.9 | 38.9 | -22.2 | 0 | 0 | 0 | 110.9 | | |
| 153 | K | 22.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 133 Ų | 133 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | cis | 70.8 | 120.9 | 39.3 | -161 | 177 | -176.6 | -175.5 | 0 | 111.9 | | |
| 154 | V | 26.8 | Very low | 28.5 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | cis | -165.5 | 160.2 | -10 | 111.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 155 | A | 25.2 | Very low | 28.1 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | | | trans | 65.8 | 169 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 156 | S | 26.7 | Very low | 28.3 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | cis | -146.9 | 163.8 | 14.8 | -56.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 157 | H | 29.7 | Very low | 29.2 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | | | trans | -47.9 | 157.1 | -176.6 | -61.7 | -92.1 | 0 | 0 | 0 | 122.5 | | |
| 158 | I | 32.1 | Very low | 29.3 | Very low | 165 Ų | 165 | 136 Ų | 136 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | -171.6 | 147.9 | 163.9 | -100.9 | 151 | 0 | 0 | 0 | 106.3 | | |
| 159 | T | 29.8 | Very low | 29.4 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | cis | -158.3 | -172.7 | -17.2 | -74.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 160 | V | 29.8 | Very low | 30.6 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 65% | 0.648 | 76% | 0.76 | S | S | * | * | | | trans | -124.2 | 154.1 | -168 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | I162 | V160-I162 HydrophobicContact CG1-CD1 3.68Å; V160-I162 HydrophobicContact CG1-CG1 4.17Å |
| 161 | T | 29.8 | Very low | 30.5 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | | | | 170.9 | 119.6 | 90.9 | -59.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 162 | I | 34.9 | Very low | 30.3 | Very low | 144 Ų | 144 | 131 Ų | 131 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | | 72.9 | 118.2 | 75 | -55.5 | 162.6 | 0 | 0 | 0 | 116.3 | V160 | V160-I162 HydrophobicContact CG1-CD1 3.68Å; V160-I162 HydrophobicContact CG1-CG1 4.17Å |
| 163 | E | 27.1 | Very low | 30.6 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | | | trans | -152.6 | 161.8 | 136.7 | -147 | -168.5 | 92.6 | 0 | 0 | 109.9 | | |
| 164 | S | 28.3 | Very low | 30.7 | Very low | 87 Ų | 87 | 129.1 Ų | 129.1 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | -165.1 | 154.5 | -173 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 165 | T | 26.4 | Very low | 31.1 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | | | trans | -147.6 | 140.4 | 162.3 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 166 | M | 28.6 | Very low | 31.7 | Very low | 158 Ų | 158 | 129.9 Ų | 129.9 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | | | trans | -154.4 | -172.1 | -172.4 | -55.9 | -164.3 | 80.9 | 0 | 0 | 107.7 | | |
| 167 | P | 46.5 | Very low | 32.1 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 59% | 0.591 | 77% | 0.771 | S | S | * | * | | | cis | -139.1 | -167.9 | 0.4 | 44 | -25.3 | 0 | 0 | 0 | 115.1 | | |
| 168 | T | 27.1 | Very low | 32.3 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | trans | -148.1 | 127 | 132 | -2.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 169 | T | 28.3 | Very low | 32.2 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | | | trans | -161.8 | -158.8 | -170.2 | 58.8 | 0 | 0 | 0 | 0 | 106.2 | | |
| 170 | P | 49.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | | | cis | -129.5 | -171.8 | -23.6 | 39.3 | -23.2 | 0 | 0 | 0 | 112.4 | | |
| 171 | S | 26.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | -157.4 | 150.5 | 127 | -161.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 172 | I | 27.3 | Very low | 32.1 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | | | trans | -153.8 | 142.2 | -167.7 | -87.3 | 169.4 | 0 | 0 | 0 | 106.3 | | |
| 173 | P | 38.6 | Very low | 31.7 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | | -142.6 | 160.8 | 111.9 | 31.5 | -13.3 | 0 | 0 | 0 | 116.1 | | |
| 174 | V | 25.5 | Very low | 31.8 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -93.8 | 167.2 | 178.4 | 168.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 175 | A | 36.2 | Very low | 31.8 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -64.7 | 153.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 176 | T | 37.9 | Very low | 31.9 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -142.4 | 147.7 | 167.4 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 177 | I | 34.9 | Very low | 32.1 | Very low | 170 Ų | 170 | 123.6 Ų | 123.6 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | trans | -132.9 | 129.2 | 168 | -59 | 173 | 0 | 0 | 0 | 107.7 | | |
| 178 | S | 32.2 | Very low | 31.2 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -168.5 | 140 | 163.6 | -166.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 179 | G | 32 | Very low | 31.2 | Very low | 63 Ų | 63 | 127.8 Ų | 127.8 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | trans | 101.9 | 100.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 180 | Q | 31.7 | Very low | 31.2 | Very low | 183 Ų | 183 | 129.6 Ų | 129.6 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | trans | 57.6 | 149.5 | 142.6 | -58.4 | -71.6 | 24.3 | 0 | 0 | 119.4 | | |
| 181 | Q | 30.8 | Very low | 30 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | cis | -144.1 | 138.6 | 1.4 | -178.4 | 178.4 | -8.8 | 0 | 0 | 108.7 | | |
| 182 | G | 24.7 | Very low | 31.1 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | 165.3 | 96 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 183 | H | 24.8 | Very low | 31 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -70.4 | 154.4 | -178.9 | -48.4 | -89.3 | 0 | 0 | 0 | 110.2 | | |
| 184 | S | 29.2 | Very low | 30.4 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | cis | -167 | 155.7 | 34.9 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 185 | S | 28.4 | Very low | 30.7 | Very low | 94 Ų | 94 | 132 Ų | 132 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | 39.2 | 150.4 | 142.5 | 55.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 186 | N | 29.8 | Very low | 30.3 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | cis | -172.6 | 172.2 | -1.6 | -101.1 | -0 | 0 | 0 | 0 | 108.4 | | |
| 187 | L | 32.2 | Very low | 29.8 | Very low | 126 Ų | 126 | 137 Ų | 137 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | | | cis | -172.6 | 107.8 | -32.5 | -176.4 | 77.1 | 0 | 0 | 0 | 111 | | |
| 188 | H | 28.8 | Very low | 29.5 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | | | trans | 68 | 156.9 | 155.4 | -72.3 | -139.7 | 0 | 0 | 0 | 122.5 | | |
| 189 | H | 26.5 | Very low | 29.2 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | 70.2 | 161 | 153.1 | -78.1 | -23.2 | 0 | 0 | 0 | 119.7 | | |
| 190 | L | 27.1 | Very low | 28.9 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | cis | -140.2 | -159.4 | 7.3 | -155.2 | 64.4 | 0 | 0 | 0 | 112.2 | | |
| 191 | M | 24.4 | Very low | 29 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 84% | 0.837 | 76% | 0.757 | S | S | * | * | | | trans | -89.2 | -155.3 | 177.5 | -73.8 | -94.8 | -175.6 | 0 | 0 | 111.6 | | |
| 192 | P | 49.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | | -131.8 | -169.3 | -96.3 | 43.1 | -25.2 | 0 | 0 | 0 | 115.6 | | |
| 193 | A | 26.6 | Very low | 29.3 | Very low | 80 Ų | 80 | 142.1 Ų | 142.1 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | | | trans | 95.6 | 144.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 194 | N | 25.3 | Very low | 30 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | trans | 68.7 | 153.3 | 165.6 | -56.2 | -36.9 | 0 | 0 | 0 | 116.2 | | |
| 195 | I | 31.2 | Very low | 30.6 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | cis | -131.3 | 160.4 | 25.5 | -64.8 | 162.5 | 0 | 0 | 0 | 112.3 | | |
| 196 | H | 28 | Very low | 30.9 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -80.1 | 179.4 | -179.8 | -105.3 | -146.6 | 0 | 0 | 0 | 115.4 | | |
| 197 | I | 28 | Very low | 31.4 | Very low | 153 Ų | 153 | 142 Ų | 142 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | 114.3 | 131.2 | 162.9 | -65.6 | 162.8 | 0 | 0 | 0 | 113.2 | | |
| 198 | I | 28.5 | Very low | 31.2 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | cis | -151 | 119.7 | -15.4 | -109.5 | 175.9 | 0 | 0 | 0 | 105.5 | | |
| 199 | R | 25.7 | Very low | 31.7 | Very low | 227 Ų | 227 | 140.3 Ų | 140.3 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | | 93.8 | 137.7 | 94.6 | -148 | 175.9 | -168 | 163.5 | 2.9 | 115.5 | | |
| 200 | T | 25.3 | Very low | 31.7 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -77.7 | -175.7 | -173.4 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 201 | P | 34.7 | Very low | 32.1 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | cis | -145.4 | -178 | 16.6 | 44.6 | -24 | 0 | 0 | 0 | 119.9 | | |
| 202 | T | 34.2 | Very low | 32.3 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -107.4 | 143.7 | 174.8 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 203 | V | 26.4 | Very low | 31.5 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | -145.3 | 132.5 | 167.4 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 204 | P | 39.5 | Very low | 31.8 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -113.6 | -164.1 | 172.2 | 44.2 | -35.3 | 0 | 0 | 0 | 112 | | |
| 205 | P | 42.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | cis | -130.9 | -174.1 | -16.8 | 29.6 | -5.5 | 0 | 0 | 0 | 116 | | |
| 206 | Q | 34.1 | Very low | 32.2 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | | | trans | -6.6 | 160.1 | 160.8 | -77.3 | -161.1 | -1.6 | 0 | 0 | 122.9 | | |
| 207 | P | 41 | Very low | 32.5 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | cis | -156.8 | 155.3 | 42 | 40.7 | -17.1 | 0 | 0 | 0 | 123.3 | | |
| 208 | Q | 28.3 | Very low | 32.8 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | 68.3 | -175.3 | 143.1 | -59 | -68.6 | -15.2 | 0 | 0 | 119.6 | | |
| 209 | P | 39.3 | Very low | 32.9 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 57% | 0.571 | 79% | 0.787 | S | S | * | * | | | | -138 | -174.1 | -104.5 | 38.9 | -15.4 | 0 | 0 | 0 | 119.4 | | |
| 210 | Y | 26.3 | Very low | 33 | Very low | 215 Ų | 215 | 132.5 Ų | 132.5 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | 83.2 | 169.4 | 171.9 | -57.2 | -72.4 | 0 | 0 | 0 | 117.8 | | |
| 211 | P | 34.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | | -133.6 | 163.4 | -68.4 | 39.9 | -24.8 | 0 | 0 | 0 | 114.4 | | |
| 212 | S | 29.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -133.8 | 165.7 | 169.8 | 74.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 213 | H | 32.3 | Very low | 33.1 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -129.3 | 121.4 | -147.5 | 34.1 | -95.5 | 0 | 0 | 0 | 112.1 | | |
| 214 | L | 32.7 | Very low | 33.2 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | | 175.8 | 130.6 | 127.4 | -120.9 | 65.8 | 0 | 0 | 0 | 111.6 | | |
| 215 | P | 34.1 | Very low | 32.6 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -89.7 | 122.4 | 171.4 | 33 | -30.4 | 0 | 0 | 0 | 111.7 | G217 | P215-G217 PolarHBondContact O-N 3.09Š|
| 216 | R | 31.8 | Very low | 31.9 | Very low | 256 Ų | 256 | 130.6 Ų | 130.6 | 97% | 0.966 | 79% | 0.785 | S | S | * | * | | | trans | -85 | 95.8 | 171 | -166.8 | 168 | -172.9 | 139.3 | 0.6 | 110 | | |
| 217 | G | 33.6 | Very low | 31.8 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | trans | -66.3 | 146 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P215 | P215-G217 PolarHBondContact O-N 3.09Š|
| 218 | A | 35 | Very low | 31.3 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | | | trans | -97.2 | 168.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 219 | A | 29.4 | Very low | 31.4 | Very low | 104 Ų | 104 | 132 Ų | 132 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -133.1 | 114.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 220 | A | 27.7 | Very low | 31 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -157.2 | 94.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 221 | A | 31.8 | Very low | 31.1 | Very low | 106 Ų | 106 | 132 Ų | 132 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | | | trans | 62.7 | 172.5 | 159 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 222 | A | 32.6 | Very low | 30.8 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | | | cis | -161.5 | 160.8 | 6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 223 | V | 32 | Very low | 31.3 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | | | trans | 79.8 | 103 | 133.9 | 168 | 0 | 0 | 0 | 0 | 122.7 | | |
| 224 | M | 27.9 | Very low | 31 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | | 68.9 | 124.8 | 122.2 | -59.5 | 179.3 | 75.3 | 0 | 0 | 125.9 | | |
| 225 | S | 28.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | | | | 90.1 | 115.1 | 122.7 | -168.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 226 | S | 27.4 | Very low | 30.2 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | | | | -161.8 | 163 | 118.8 | 61.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 227 | S | 32 | Very low | 29.9 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | trans | -144.5 | 130.4 | -169.2 | -43.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 228 | K | 29.1 | Very low | 29.5 | Very low | 206 Ų | 206 | 126.4 Ų | 126.4 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | | | trans | 173.7 | 131.5 | 140.4 | -106 | -176.2 | 177.7 | -172.4 | 0 | 112.6 | | |
| 229 | T | 30 | Very low | 29 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | | | | -173.3 | 156.6 | 129 | -74.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 230 | V | 31.1 | Very low | 28.8 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | trans | -128.3 | 143.2 | -171.9 | 171.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 231 | L | 28.4 | Very low | 29.1 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -139.3 | 159.9 | 157.7 | -92.6 | 176.4 | 0 | 0 | 0 | 111.2 | | |
| 232 | R | 30.2 | Very low | 28.8 | Very low | 228 Ų | 228 | 126 Ų | 126 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -95.2 | 166.7 | -171.1 | -96.5 | -175.6 | 78 | 104.4 | -7.1 | 113.3 | | |
| 233 | P | 39.9 | Very low | 28.9 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | | | trans | -84.7 | 165.1 | -175.6 | 35.6 | -37.8 | 0 | 0 | 0 | 114.1 | | |
| 234 | A | 24.7 | Very low | 29.1 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -131.8 | 164.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 235 | T | 25.5 | Very low | 29 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | | | trans | -118.7 | 150.4 | -157.5 | 46.5 | 0 | 0 | 0 | 0 | 116 | | |
| 236 | G | 26.1 | Very low | 29.1 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | trans | 119 | 164.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 237 | A | 25.6 | Very low | 29.1 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | cis | -175.2 | 135.2 | -25.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 238 | S | 24 | Very low | 28.9 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | 62.5 | 163.3 | 172.3 | 78.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 239 | A | 25.2 | Very low | 29.1 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | cis | -144.9 | 175.8 | 4.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 240 | S | 24.3 | Very low | 29.2 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -83.3 | -175.9 | 169.4 | -129 | 0 | 0 | 0 | 0 | 111.2 | | |
| 241 | P | 35 | Very low | 29.1 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | cis | -131.8 | -174.8 | 28.6 | 40.5 | -20.5 | 0 | 0 | 0 | 114.7 | | |
| 242 | G | 25.8 | Very low | 29.2 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | cis | -178.8 | 176.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 243 | Q | 33.4 | Very low | 29.1 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -99.1 | 176 | 175.8 | -80 | -166.1 | -28.7 | 0 | 0 | 112.9 | | |
| 244 | P | 36.6 | Very low | 28.6 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | | -127.7 | 141.4 | 118.6 | 2.7 | 18.7 | 0 | 0 | 0 | 116.8 | | |
| 245 | T | 25.3 | Very low | 28.7 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | | | trans | -2.2 | 140.3 | 145.6 | 50.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 246 | V | 30.8 | Very low | 28.8 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | | | cis | 81.4 | 129.1 | 44.3 | 172.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 247 | Q | 27.7 | Very low | 29.1 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | 173.2 | 149.4 | 144.2 | -79.9 | -118.6 | 54.9 | 0 | 0 | 110.2 | | |
| 248 | H | 28.4 | Very low | 30.5 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 64% | 0.644 | 78% | 0.784 | S | S | * | * | | | cis | -173.2 | -176.2 | -28.6 | -129.8 | -82.9 | 0 | 0 | 0 | 110.4 | | |
| 249 | I | 32.3 | Very low | 30.7 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | | | trans | 77.2 | 139.7 | 153.2 | -75.9 | 155 | 0 | 0 | 0 | 117.8 | | |
| 250 | I | 32.4 | Very low | 31 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | cis | -152.3 | 178.5 | -7.6 | -110.8 | 174.4 | 0 | 0 | 0 | 111.5 | | |
| 251 | H | 29.3 | Very low | 31.2 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -105.6 | 154.3 | -166.9 | -70.3 | -175.1 | 0 | 0 | 0 | 119.3 | | |
| 252 | Q | 30.8 | Very low | 31 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | 52 | 137.6 | 138.6 | -77.2 | -136 | 90.9 | 0 | 0 | 125.5 | | |
| 253 | T | 27.5 | Very low | 31.1 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | | -155.8 | 116.1 | 126.8 | 39.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 254 | I | 30.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 8.1 | 131.9 | 146.4 | -56.4 | 165.4 | 0 | 0 | 0 | 121.1 | | |
| 255 | Q | 26.5 | Very low | 30.4 | Very low | 193 Ų | 193 | 140 Ų | 140 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -160 | 153.4 | 146 | -157.7 | 179.1 | 99 | 0 | 0 | 111.2 | | |
| 256 | S | 27.2 | Very low | 30.5 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -169.4 | 172.5 | 175.6 | 70.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 257 | R | 32 | Very low | 30.3 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | 97.7 | 157.2 | 155.6 | -80.3 | -152.7 | 164 | -139.9 | -2.6 | 122.1 | | |
| 258 | P | 56.3 | Low | 31 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | trans | -138.1 | -168.8 | -153.3 | 46.6 | -28.5 | 0 | 0 | 0 | 117.1 | | |
| 259 | A | 28.3 | Very low | 31 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | | | trans | -150.6 | 152.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 260 | V | 29.8 | Very low | 30.8 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | cis | 92.2 | 132.2 | 7.2 | -177.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 261 | T | 30.1 | Very low | 30.6 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 68% | 0.681 | 81% | 0.805 | S | S | * | * | | | cis | -171.2 | 147.8 | -25.1 | -82.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 262 | T | 29.3 | Very low | 30.6 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -142.7 | 166.2 | 166.2 | 35.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 263 | S | 29.1 | Very low | 31.2 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -155.1 | 160.8 | -162.6 | -51.7 | 0 | 0 | 0 | 0 | 115 | | |
| 264 | T | 26.3 | Very low | 31.3 | Very low | 146 Ų | 146 | 133 Ų | 133 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | | | trans | -152.8 | 145.8 | 170.8 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 265 | A | 28.1 | Very low | 31.2 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | -159.8 | 159 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 266 | V | 27.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -143 | 152.3 | 171.6 | -175 | 0 | 0 | 0 | 0 | 110 | | |
| 267 | L | 27.5 | Very low | 31.4 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | | | trans | -101.4 | 176.6 | -171.6 | -59.5 | 167.4 | 0 | 0 | 0 | 113.2 | | |
| 268 | P | 42.4 | Very low | 31.2 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | -145.8 | 161.3 | 88.3 | 37.3 | -19.7 | 0 | 0 | 0 | 118.6 | | |
| 269 | T | 28.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -54 | 133.5 | 170.1 | -45 | 0 | 0 | 0 | 0 | 113.1 | | |
| 270 | V | 28.4 | Very low | 29.8 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | | 77.8 | 111.1 | 56.4 | 176.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 271 | V | 26.7 | Very low | 29.9 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | | | trans | -148.8 | 150.4 | 147.7 | 173.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 272 | A | 29.1 | Very low | 30.4 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | -146.3 | -171.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 273 | P | 44.8 | Very low | 30.2 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | cis | -108.7 | -150.3 | -4.2 | 34.5 | -14.3 | 0 | 0 | 0 | 111 | | |
| 274 | I | 28 | Very low | 30.3 | Very low | 149 Ų | 149 | 127 Ų | 127 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | cis | -144.9 | 141.5 | 9.1 | 15.1 | 173.5 | 0 | 0 | 0 | 107.4 | | |
| 275 | S | 28.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | | 79.6 | 130.3 | 67.4 | -60.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 276 | A | 28.8 | Very low | 31.1 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | cis | -108.6 | -158.1 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 277 | A | 28.6 | Very low | 31.7 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | | | cis | -154.1 | 163.7 | 4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 278 | R | 28.3 | Very low | 31.7 | Very low | 225 Ų | 225 | 125.1 Ų | 125.1 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | | | cis | 78 | 123.3 | 21.4 | -179.5 | -173.6 | 177.5 | -169.9 | -2.2 | 114.2 | | |
| 279 | T | 29.6 | Very low | 31 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | | | cis | -168.3 | 172.1 | -8 | 26.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 280 | Q | 27 | Very low | 30.9 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | | | cis | -163.2 | 179.7 | 5.6 | -125.4 | 152 | -7.3 | 0 | 0 | 110.4 | | |
| 281 | S | 30.3 | Very low | 30.9 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -109.2 | -165.2 | 164.7 | -51.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 282 | P | 41.8 | Very low | 30.8 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | cis | -152.3 | -171.8 | 10.7 | 45.4 | -22.2 | 0 | 0 | 0 | 119.5 | | |
| 283 | V | 24.7 | Very low | 30.9 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | | | trans | 70.2 | 107.1 | 142.3 | 162.4 | 0 | 0 | 0 | 0 | 124.2 | | |
| 284 | I | 31.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | | 50.1 | 118.4 | 125.9 | -53.1 | 170.9 | 0 | 0 | 0 | 123.1 | | |
| 285 | S | 34.3 | Very low | 30.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | 40.6 | 140.7 | 138.8 | -53.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 286 | P | 35.9 | Very low | 30.3 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | | | | -148.5 | -148.5 | 69.7 | 43.4 | -22.9 | 0 | 0 | 0 | 116 | | |
| 287 | T | 39.8 | Very low | 30.6 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -121.2 | 164.4 | -161.8 | -44 | 0 | 0 | 0 | 0 | 113.1 | | |
| 288 | V | 28.1 | Very low | 31.6 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 85.9 | 134.9 | 168.6 | -171.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 289 | T | 26.9 | Very low | 31.5 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -117.7 | 123.6 | 169.9 | 46.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 290 | H | 26.6 | Very low | 31.6 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | | | trans | -139.2 | 154.5 | 152.3 | -108 | -96.3 | 0 | 0 | 0 | 106.5 | | |
| 291 | S | 30.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -143.2 | 127.1 | -162.6 | 55 | 0 | 0 | 0 | 0 | 113.3 | | |
| 292 | E | 23.4 | Very low | 31.7 | Very low | 168 Ų | 168 | 134 Ų | 134 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -159.4 | 170 | 153.4 | -132.5 | -176.2 | 127.8 | 0 | 0 | 110 | | |
| 293 | V | 32 | Very low | 31 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 39% | 0.394 | 78% | 0.778 | S | S | . | * | | | trans | -144.2 | 133.7 | -177.6 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | S455 | V293-S455 WeakPolarHBondContact CG1-O 3.41Š|
| 294 | T | 29.6 | Very low | 32.3 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | -158.5 | 147.9 | 150.8 | -8.9 | 0 | 0 | 0 | 0 | 114 | | |
| 295 | H | 30.1 | Very low | 33.5 | Very low | 178 Ų | 178 | 135 Ų | 135 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -39.1 | 146.2 | 176.5 | -57.4 | 77.9 | 0 | 0 | 0 | 118.6 | | |
| 296 | G | 28.2 | Very low | 34.1 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -177.3 | 151.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 297 | R | 34.7 | Very low | 33.9 | Very low | 250 Ų | 250 | 133.7 Ų | 133.7 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | | | trans | -117.9 | 168.3 | 176.2 | -103.6 | -162.8 | 170.5 | -163 | -1.1 | 111.8 | | |
| 298 | P | 51.5 | Low | 33.5 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | -112.2 | 164.3 | -148.1 | 41.6 | -38.2 | 0 | 0 | 0 | 118.5 | | |
| 299 | A | 25.7 | Very low | 33.6 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | -155.4 | 143.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 300 | L | 31.3 | Very low | 33.6 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | | 63.1 | 129.5 | 61.4 | -58.3 | 169.9 | 0 | 0 | 0 | 111.8 | | |
| 301 | T | 28.7 | Very low | 33.8 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | | | cis | -167.8 | 173.8 | 9.5 | -6.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 302 | I | 30.4 | Very low | 33.5 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | 67.9 | 109.9 | 146.9 | -67.1 | 159.5 | 0 | 0 | 0 | 121.3 | | |
| 303 | H | 28.2 | Very low | 33.8 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | | | | 51.8 | 168.8 | 120 | -99.7 | -114 | 0 | 0 | 0 | 123.9 | | |
| 304 | P | 52.3 | Low | 34.1 | Very low | 103 Ų | 103 | 136 Ų | 136 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | trans | -92.2 | -170.1 | -163.3 | 42 | -40.3 | 0 | 0 | 0 | 113.5 | | |
| 305 | P | 54.6 | Low | 33.9 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | cis | -130.2 | -140.9 | 12.6 | 38.5 | -13.2 | 0 | 0 | 0 | 111.7 | | |
| 306 | P | 47.3 | Very low | 33.8 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | cis | -133.5 | -140.8 | -6 | 44.2 | -22.4 | 0 | 0 | 0 | 115.2 | | |
| 307 | A | 32.6 | Very low | 33.6 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | | | trans | -149 | -170.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 308 | T | 31.3 | Very low | 33.2 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 119.1 | 145.1 | 148.9 | -30 | 0 | 0 | 0 | 0 | 118.9 | | |
| 309 | V | 29.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | 70 | 145.7 | 166.7 | -159.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 310 | G | 27.7 | Very low | 32.1 | Very low | 61 Ų | 61 | 135.6 Ų | 135.6 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | cis | 144.7 | 156 | -13.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 311 | I | 29.5 | Very low | 32.1 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | | | trans | 72.9 | 160.9 | 166.1 | -48.1 | 170.6 | 0 | 0 | 0 | 115.7 | | |
| 312 | Q | 25.3 | Very low | 32.4 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | | -166.2 | 171 | -61.5 | -165.2 | 173 | 16.4 | 0 | 0 | 109.9 | | |
| 313 | R | 29.5 | Very low | 32.4 | Very low | 224 Ų | 224 | 136.3 Ų | 136.3 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | | | trans | 96.6 | 166.1 | 153.8 | -104.2 | -153.9 | -162.2 | 102.7 | 3.2 | 119 | | |
| 314 | P | 39 | Very low | 32.5 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | | | | -146.4 | -165.5 | -113.6 | 47 | -25.6 | 0 | 0 | 0 | 118.8 | | |
| 315 | Q | 25.5 | Very low | 31.3 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | trans | 81.3 | 107.7 | 143.5 | -76.5 | -107.9 | -54.8 | 0 | 0 | 123.6 | | |
| 316 | T | 26.2 | Very low | 30.1 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | | | | 60.2 | 125.9 | 122 | 60.9 | 0 | 0 | 0 | 0 | 126 | | |
| 317 | S | 25.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 97.2 | 152.2 | 123.6 | 76.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 318 | R | 26.3 | Very low | 29.9 | Very low | 232 Ų | 232 | 138 Ų | 138 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | | | trans | 71.1 | 158.5 | 160.3 | -75.2 | -166.7 | 156.9 | 140.3 | -5.6 | 119.3 | | |
| 319 | D | 26.8 | Very low | 30 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | | | cis | -175 | 173 | -31 | -159.4 | -84.1 | 0 | 0 | 0 | 108.6 | | |
| 320 | S | 26.8 | Very low | 30.8 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | 71.1 | 158.6 | 154.2 | -72.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 321 | A | 30.1 | Very low | 31 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | | | cis | 179.7 | 175.4 | -30.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 322 | T | 35.5 | Very low | 31 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | | | trans | 79.9 | 157.9 | 169.5 | 78.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 323 | R | 30.1 | Very low | 31.3 | Very low | 221 Ų | 221 | 139 Ų | 139 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | cis | -174.5 | -168.9 | -22.8 | 177.9 | 168.9 | 175.3 | -114.7 | 3.9 | 107.8 | | |
| 324 | I | 30 | Very low | 31.3 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | 80.8 | 144.9 | 164.3 | -65.3 | 176.9 | 0 | 0 | 0 | 115.9 | | |
| 325 | T | 27.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | cis | -164.7 | 170.4 | -24 | -81.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 326 | L | 28.6 | Very low | 30.8 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -94.7 | -174.9 | 179.1 | -83.7 | 166.3 | 0 | 0 | 0 | 112.6 | | |
| 327 | P | 48.4 | Very low | 30.7 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | cis | -149 | -171.7 | 20 | 40.5 | -16.5 | 0 | 0 | 0 | 119.8 | | |
| 328 | S | 27.4 | Very low | 30.6 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 100.3 | 147.3 | 149.4 | -53.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 329 | H | 33.5 | Very low | 30.6 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | | | trans | -139.9 | 150.7 | -171.3 | -109 | -67.9 | 0 | 0 | 0 | 115 | | |
| 330 | P | 47.8 | Very low | 31.2 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -122.7 | 173.5 | 157.2 | 39.8 | -28.3 | 0 | 0 | 0 | 113.8 | | |
| 331 | A | 32.1 | Very low | 31.3 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | -161.4 | 172.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 332 | M | 29.4 | Very low | 31.2 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 96% | 0.961 | 78% | 0.778 | S | S | * | * | | | trans | 73 | 154 | 172.6 | -49.5 | -159.6 | -62.1 | 0 | 0 | 117.1 | | |
| 333 | G | 29.8 | Very low | 31 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | cis | 178.4 | -173.8 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 334 | A | 30.4 | Very low | 31 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | cis | -173 | -171.8 | -14.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 335 | Q | 26.9 | Very low | 30.9 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | trans | 80.3 | 122.2 | 156.4 | -66 | -77.8 | -28.4 | 0 | 0 | 123.8 | | |
| 336 | K | 26.6 | Very low | 30.9 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | | 68.9 | 160.9 | 126.6 | -159.2 | 176.8 | -177.2 | 179.8 | 0 | 121.2 | | |
| 337 | A | 24.9 | Very low | 31.1 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | | | | -164.5 | 162.8 | -56 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 338 | Q | 22.5 | Very low | 30.2 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | trans | 60.8 | 124.1 | 151.3 | -92.9 | -174.3 | -88.9 | 0 | 0 | 123.5 | | |
| 339 | T | 27.6 | Very low | 30.2 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | | 38.1 | 151.4 | 121.3 | 62.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 340 | P | 38.2 | Very low | 29.8 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | | | cis | -161.7 | -178.2 | 43.9 | 47.6 | -26.3 | 0 | 0 | 0 | 121.4 | | |
| 341 | H | 29.6 | Very low | 28.7 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | | | trans | 67.7 | 154.7 | 150.8 | -62.9 | -32.4 | 0 | 0 | 0 | 119.4 | | |
| 342 | T | 29.1 | Very low | 28.5 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | | | cis | -173.4 | 146.5 | -14.9 | -89.9 | 0 | 0 | 0 | 0 | 105.1 | | |
| 343 | M | 30.9 | Very low | 28.5 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | | | | -166.5 | 170.1 | 50.1 | -138.9 | -23.2 | 174.8 | 0 | 0 | 111.6 | | |
| 344 | A | 28.8 | Very low | 29.2 | Very low | 70 Ų | 70 | 131 Ų | 131 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | | | trans | 24.4 | 141.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 345 | Q | 27.6 | Very low | 29 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | | | cis | -163.7 | 128.7 | -3.3 | -114.2 | -173.7 | 107.6 | 0 | 0 | 112.5 | | |
| 346 | K | 29.1 | Very low | 28.9 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | | | trans | 62.1 | 154.4 | 142.6 | -65.5 | 171.3 | -178.5 | 161 | 0 | 121.3 | | |
| 347 | P | 31.8 | Very low | 28.9 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | | | cis | -141.7 | 158.6 | -42.6 | 38.8 | -22.9 | 0 | 0 | 0 | 114.9 | | |
| 348 | I | 29.7 | Very low | 29.1 | Very low | 146 Ų | 146 | 125 Ų | 125 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | | | trans | 66.5 | 136.1 | 155.8 | -74.9 | 169.7 | 0 | 0 | 0 | 115.9 | | |
| 349 | F | 27.6 | Very low | 29.3 | Very low | 167 Ų | 167 | 123 Ų | 123 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | | | cis | -160.3 | -172 | -10.5 | -117.1 | -25.8 | 0 | 0 | 0 | 106.7 | | |
| 350 | S | 24.4 | Very low | 29.3 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | cis | -152.8 | 157.6 | 3.3 | -152 | 0 | 0 | 0 | 0 | 110 | | |
| 351 | T | 24.8 | Very low | 28.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | | | trans | -146.6 | 141.9 | 174 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 352 | V | 29.1 | Very low | 29.3 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | | | trans | -108 | 131.9 | 173.7 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 353 | T | 29.1 | Very low | 29.1 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | 175.4 | 170.5 | 156.3 | 13 | 0 | 0 | 0 | 0 | 109.8 | | |
| 354 | P | 44.7 | Very low | 28.9 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | | | cis | -137.3 | -173.8 | -17.4 | 33.6 | -12.8 | 0 | 0 | 0 | 114.3 | | |
| 355 | V | 25 | Very low | 28.8 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | | | trans | 67.4 | 151.1 | 138.4 | 148.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 356 | A | 26.6 | Very low | 28.8 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | cis | -171.8 | 178.4 | -32.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 357 | A | 26.4 | Very low | 28.7 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | | | trans | 71.9 | 162.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 358 | A | 28.2 | Very low | 28.5 | Very low | 82 Ų | 82 | 120 Ų | 120 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | cis | -152.5 | 161.3 | 4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 359 | T | 27.4 | Very low | 28.5 | Very low | 131 Ų | 131 | 119.4 Ų | 119.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 46 | 132.3 | 143.1 | -33.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 360 | V | 27.7 | Very low | 29.1 | Very low | 136 Ų | 136 | 116.6 Ų | 116.6 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | | -173.5 | 157.1 | 84.6 | 162.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 361 | A | 24.4 | Very low | 29.2 | Very low | 83 Ų | 83 | 117 Ų | 117 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | | | trans | -137 | -173.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 362 | P | 42.1 | Very low | 29.5 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | cis | -140.2 | -136.2 | 6.5 | 36.8 | -10.9 | 0 | 0 | 0 | 113.8 | | |
| 363 | I | 26 | Very low | 29.5 | Very low | 145 Ų | 145 | 116.3 Ų | 116.3 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | trans | 89.4 | 102 | 166.3 | -60.6 | 164.3 | 0 | 0 | 0 | 114.8 | | |
| 364 | V | 26.3 | Very low | 29.6 | Very low | 137 Ų | 137 | 115.9 Ų | 115.9 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | | | | 79.9 | 142 | 82 | 157.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 365 | A | 26.8 | Very low | 28.9 | Very low | 68 Ų | 68 | 119.2 Ų | 119.2 | 56% | 0.562 | 76% | 0.759 | S | S | * | * | | | cis | -172.9 | 173.8 | -25.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 366 | T | 27.1 | Very low | 29.2 | Very low | 142 Ų | 142 | 115.8 Ų | 115.8 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | | | trans | 60.3 | 170.7 | 160.8 | 44.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 367 | N | 26.8 | Very low | 29.3 | Very low | 139 Ų | 139 | 117.6 Ų | 117.6 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | cis | -174.1 | 176.3 | -40.7 | -171 | 11.6 | 0 | 0 | 0 | 107.2 | | |
| 368 | T | 27.7 | Very low | 29.7 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | 79.5 | 125.3 | 158.6 | 7.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 369 | V | 30.5 | Very low | 30.9 | Very low | 133 Ų | 133 | 121 Ų | 121 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | -81.8 | -174.2 | 150.6 | -110.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 370 | P | 40.7 | Very low | 30.9 | Very low | 107 Ų | 107 | 123 Ų | 123 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | cis | -141.4 | -163.2 | 10 | 31 | -4 | 0 | 0 | 0 | 116.2 | | |
| 371 | S | 26.3 | Very low | 31 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | 105.5 | 112.2 | 132.3 | -76.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 372 | T | 30.7 | Very low | 31.2 | Very low | 119 Ų | 119 | 126 Ų | 126 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | trans | 50.4 | 141.5 | 130.3 | -159.5 | 0 | 0 | 0 | 0 | 124.6 | | |
| 373 | T | 29 | Very low | 30.5 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | | | | -176 | 176.7 | 120.5 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 374 | T | 31.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 127 Ų | 127 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -144.1 | -178.9 | -151.1 | -49.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 375 | I | 30.1 | Very low | 30.8 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | | | trans | 90.4 | 143 | 170 | -51.5 | 167 | 0 | 0 | 0 | 114 | | |
| 376 | G | 31.3 | Very low | 30.9 | Very low | 69 Ų | 69 | 127.1 Ų | 127.1 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | cis | -116.5 | -130.1 | 0.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 377 | S | 28.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | cis | -169 | 165.8 | -2.9 | 47.5 | 0 | 0 | 0 | 0 | 111 | | |
| 378 | V | 34 | Very low | 31.6 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | -145.8 | -176.7 | -168.7 | -142.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 379 | P | 54 | Low | 31.6 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | | -117.7 | 174.2 | -97.8 | 41.9 | -27.2 | 0 | 0 | 0 | 118.4 | | |
| 380 | H | 27.4 | Very low | 31.7 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | trans | -158 | -177.1 | 141 | -152.5 | 52.6 | 0 | 0 | 0 | 114.3 | | |
| 381 | T | 29.5 | Very low | 31 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | trans | -116.3 | 175 | -162.8 | 48.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 382 | Q | 27.8 | Very low | 31.3 | Very low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | 107.4 | 116.3 | 160.2 | -87.6 | -159.9 | 33.9 | 0 | 0 | 120.9 | | |
| 383 | M | 27 | Very low | 31.3 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | 58 | 139 | 121.5 | -115.6 | 173.1 | -176 | 0 | 0 | 124.4 | | |
| 384 | T | 28.5 | Very low | 31.7 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | 97.4 | 105.2 | 140.1 | -56.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 385 | S | 30.3 | Very low | 31.4 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | 58.2 | 128.2 | 134.3 | -58.5 | 0 | 0 | 0 | 0 | 125.7 | | |
| 386 | S | 30.6 | Very low | 31.4 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | | 76.6 | 113.3 | 128.6 | -62.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 387 | T | 34.2 | Very low | 31.2 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | | 52 | 124 | 116.6 | -48.5 | 0 | 0 | 0 | 0 | 121.5 | V389 | T387-V389 HydrophobicContact CG2-CG2 4.36Š|
| 388 | I | 33.2 | Very low | 31.1 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 89% | 0.892 | 75% | 0.752 | S | S | * | * | | | trans | -156.9 | 157.2 | 135.9 | -103.5 | 151.1 | 0 | 0 | 0 | 109.3 | | |
| 389 | V | 28.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 132 Ų | 132 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | | | trans | -140.8 | 155 | -166 | -164.4 | 0 | 0 | 0 | 0 | 111.8 | T387 | T387-V389 HydrophobicContact CG2-CG2 4.36Š|
| 390 | T | 31.4 | Very low | 29.5 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | 79.2 | 124.3 | 159 | 0.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 391 | V | 26.3 | Very low | 29.6 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | | | trans | -153.1 | 154.9 | 156.8 | -96.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 392 | T | 32 | Very low | 29.4 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | trans | -151.3 | 131.5 | -143.1 | -57.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 393 | M | 30.7 | Very low | 29.2 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | 67.2 | 176.2 | 158.8 | -68.8 | -81.5 | -90.8 | 0 | 0 | 117.9 | | |
| 394 | P | 38.2 | Very low | 29.2 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | | | cis | -131.2 | 158.1 | -17.4 | 19 | 5.3 | 0 | 0 | 0 | 117.6 | | |
| 395 | S | 26.4 | Very low | 29.2 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | | | trans | 13 | 165.4 | 140.4 | -54 | 0 | 0 | 0 | 0 | 126.9 | | |
| 396 | H | 29 | Very low | 28.9 | Very low | 181 Ų | 181 | 122.5 Ų | 122.5 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | 89.6 | 147.3 | 159.4 | -49.2 | -68 | 0 | 0 | 0 | 117.9 | | |
| 397 | S | 27.9 | Very low | 28.8 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | cis | -167.3 | 159.5 | -19.4 | 179 | 0 | 0 | 0 | 0 | 112.6 | | |
| 398 | C | 26.2 | Very low | 28.7 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | 51.5 | 135.5 | 152.8 | 64.7 | 0 | 0 | 0 | 0 | 126 | | |
| 399 | H | 28.9 | Very low | 29.2 | Very low | 189 Ų | 189 | 121.2 Ų | 121.2 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | | | trans | -17.8 | 146.9 | 157.8 | -75.3 | -103.3 | 0 | 0 | 0 | 121.2 | | |
| 400 | A | 26.3 | Very low | 29 | Very low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | | 168.8 | 130 | 97.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 401 | T | 27.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | | | trans | 42.5 | 149.2 | 130.5 | -37 | 0 | 0 | 0 | 0 | 124.6 | | |
| 402 | A | 25.8 | Very low | 28.8 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | | | trans | 88.2 | 158.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 403 | A | 24.4 | Very low | 28.5 | Very low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | | | cis | -173.3 | 154.6 | -35.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 404 | T | 26.9 | Very low | 28.6 | Very low | 140 Ų | 140 | 123 Ų | 123 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | | | trans | 60.2 | 171 | 167.1 | 49.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 405 | T | 27.3 | Very low | 28.6 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | | | cis | -143.9 | 138.6 | 7.6 | 124.7 | 0 | 0 | 0 | 0 | 108 | | |
| 406 | S | 25 | Very low | 29 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | | 88.3 | 159.9 | 67.5 | -156 | 0 | 0 | 0 | 0 | 115 | | |
| 407 | T | 29.2 | Very low | 29.4 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | 80.3 | 109.3 | 178.8 | -33.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 408 | I | 31.4 | Very low | 29.5 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | | | cis | 72.3 | 138.6 | 18.4 | -51.1 | 175.6 | 0 | 0 | 0 | 113.6 | | |
| 409 | P | 42.9 | Very low | 29.5 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | | | cis | -112.9 | -170.6 | -2.7 | 22.5 | 2 | 0 | 0 | 0 | 112.4 | | |
| 410 | V | 26.2 | Very low | 29.4 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | | 174.8 | 144.4 | 71.2 | 162.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 411 | A | 27.8 | Very low | 29.5 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | | | cis | -162.3 | -175.2 | -17 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 412 | K | 25.4 | Very low | 29.4 | Very low | 200 Ų | 200 | 120.1 Ų | 120.1 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | | | trans | -41.5 | 158.3 | 176.9 | -59.2 | 171.3 | 178 | 174.1 | 0 | 114.6 | | |
| 413 | V | 25.3 | Very low | 29.4 | Very low | 129 Ų | 129 | 120 Ų | 120 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | | | | -153.1 | 154 | 50.9 | 170.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 414 | V | 32.3 | Very low | 29.6 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | | | trans | -131.8 | 132.9 | 173.2 | 165.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 415 | P | 38.3 | Very low | 29.7 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | | | | -151.6 | 177.7 | 94.1 | 40 | -19.8 | 0 | 0 | 0 | 118.1 | | |
| 416 | Q | 34.1 | Very low | 29.6 | Very low | 150 Ų | 150 | 130 Ų | 130 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | -80.2 | 171.3 | 176.8 | -123.9 | -175.5 | 20 | 0 | 0 | 112.4 | | |
| 417 | P | 37.8 | Very low | 29.7 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | | | | -148.8 | 146.5 | 59.7 | 38.2 | -16.9 | 0 | 0 | 0 | 120.1 | | |
| 418 | I | 30.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | | | trans | 20.1 | 122.4 | 130.2 | -53.4 | 172.6 | 0 | 0 | 0 | 116.5 | | |
| 419 | A | 26 | Very low | 29.3 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | -162.3 | 125.4 | 80.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 420 | H | 27.6 | Very low | 28.4 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | trans | 33.3 | 111.7 | 141.6 | -45.4 | -61.2 | 0 | 0 | 0 | 122.6 | | |
| 421 | S | 28.1 | Very low | 28.6 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | | -155.9 | 157.3 | 118.6 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 422 | S | 24.7 | Very low | 28.6 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | trans | -133.6 | 164.2 | 171.8 | -53 | 0 | 0 | 0 | 0 | 107.1 | Y926 | S422-Y926 WeakPolarHBondContact O-CE1 3.27Š|
| 423 | S | 26.6 | Very low | 28.8 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | cis | -162.8 | -172.6 | 26.3 | -40.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 424 | R | 29 | Very low | 28.9 | Very low | 231 Ų | 231 | 136 Ų | 136 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | 75.4 | 108.9 | 158.3 | -178.4 | 179.5 | -73.9 | -148.8 | -3.4 | 114.5 | | |
| 425 | V | 28.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 137 Ų | 137 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | | 67.7 | 105.5 | 56.2 | -177.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 426 | Q | 24.5 | Very low | 28.5 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | | -162.9 | 171.4 | 103.6 | -161.6 | 150.9 | -18.4 | 0 | 0 | 110 | | |
| 427 | A | 28.7 | Very low | 28.7 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -76.4 | 150.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 428 | E | 24.3 | Very low | 28.5 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | | | trans | -87.2 | 145 | 168.7 | -71.1 | -179.9 | 107.8 | 0 | 0 | 112.1 | | |
| 429 | Y | 26.4 | Very low | 28.8 | Very low | 231 Ų | 231 | 140.6 Ų | 140.6 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | | | trans | -154.3 | 118.3 | 161 | -122 | -80.7 | 0 | 0 | 0 | 106.6 | | |
| 430 | S | 25 | Very low | 29.2 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -168.4 | 144.2 | 175.4 | -84.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 431 | G | 30.2 | Very low | 29.2 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | 85.3 | 147.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 432 | E | 27.8 | Very low | 29.2 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | cis | -160 | 164.6 | -1.5 | -87.3 | -154.5 | 120 | 0 | 0 | 107 | | |
| 433 | R | 30.3 | Very low | 29.4 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | cis | -161.3 | -179 | 3.2 | -110.9 | 168.6 | -162.9 | 166 | 22.7 | 105.5 | | |
| 434 | A | 26.8 | Very low | 29.4 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 61% | 0.612 | 79% | 0.789 | S | S | * | * | | | cis | 175 | -179.7 | -37.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 435 | N | 30.8 | Very low | 29.3 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | 76.4 | 157.3 | -179.6 | -56.1 | -19.6 | 0 | 0 | 0 | 114.6 | | |
| 436 | L | 31.3 | Very low | 30.1 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | cis | -144.5 | -162.2 | -3.3 | -133.8 | 173.2 | 0 | 0 | 0 | 110.1 | | |
| 437 | I | 37.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 140 Ų | 140 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | trans | -144.5 | 163 | -178.7 | -22 | 178 | 0 | 0 | 0 | 109.8 | I439 | I437-I439 HydrophobicContact CG2-CG1 4.2Š|
| 438 | P | 34.3 | Very low | 30.9 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | | -141.6 | 171.1 | 94.8 | 38.6 | -24.5 | 0 | 0 | 0 | 115.5 | | |
| 439 | I | 35.4 | Very low | 31.2 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | | | trans | -113.9 | 159.3 | 176.9 | -23.8 | 176.6 | 0 | 0 | 0 | 109 | I437 | I437-I439 HydrophobicContact CG2-CG1 4.2Š|
| 440 | P | 35.5 | Very low | 31.3 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | | -156.2 | 145.9 | 98.5 | 37.4 | -18 | 0 | 0 | 0 | 118.8 | | |
| 441 | G | 27.7 | Very low | 31.3 | Very low | 61 Ų | 61 | 133.1 Ų | 133.1 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | 69.8 | 178.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 442 | H | 28.6 | Very low | 31.5 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | | | cis | -178.1 | 143.2 | -38.5 | -116.7 | -65 | 0 | 0 | 0 | 108.9 | | |
| 443 | R | 27.6 | Very low | 31.5 | Very low | 228 Ų | 228 | 134.7 Ų | 134.7 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | 66.7 | 164.5 | 170.5 | -61.7 | 177.9 | 180 | -86.6 | 2.2 | 115.4 | | |
| 444 | S | 27.3 | Very low | 31.5 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | cis | -163.2 | 170.7 | -25.5 | -95.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 445 | S | 25.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | -67.1 | 170.2 | 166.2 | -148.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 446 | P | 46.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | | | cis | -143.7 | -165.3 | 12.9 | 43.8 | -21.8 | 0 | 0 | 0 | 118.3 | | |
| 447 | N | 29.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | | | trans | -65 | 160.6 | 171 | -86.6 | -3.7 | 0 | 0 | 0 | 114.9 | | |
| 448 | P | 39.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | | | | -149.5 | 157.5 | 69 | 35.3 | -11.7 | 0 | 0 | 0 | 118.8 | | |
| 449 | V | 30.4 | Very low | 31.5 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | | | | 63.8 | 133.1 | 87.6 | -156.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 450 | T | 30.1 | Very low | 31.1 | Very low | 111 Ų | 111 | 131 Ų | 131 | 68% | 0.681 | 72% | 0.719 | S | S | * | * | | | | 177.6 | 163.5 | 68.6 | -30 | 0 | 0 | 0 | 0 | 114.8 | | |
| 451 | M | 25 | Very low | 30.6 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | trans | 67.2 | 163.3 | 157.6 | -53.5 | -48.8 | -88.9 | 0 | 0 | 123.1 | | |
| 452 | E | 33.7 | Very low | 31.6 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | | | | -173 | 173.8 | -53.2 | -134.4 | -145.6 | 124.8 | 0 | 0 | 114.2 | | |
| 453 | T | 28.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | | | trans | 81.7 | 171.5 | 167.1 | 74.9 | 0 | 0 | 0 | 0 | 121 | | |
| 454 | R | 28.7 | Very low | 31.8 | Very low | 209 Ų | 209 | 128.3 Ų | 128.3 | 79% | 0.789 | 72% | 0.715 | S | S | * | * | | | | -171 | 142.7 | -54.6 | 175.5 | 174 | 166.7 | -172.9 | -4.4 | 116.7 | | |
| 455 | S | 33.6 | Very low | 31.9 | Very low | 41 Ų | 41 | 130.4 Ų | 130.4 | 29% | 0.287 | 72% | 0.718 | S | S | . | * | | | trans | 84.1 | 118.9 | 147.9 | -86.9 | 0 | 0 | 0 | 0 | 127.7 | V293 | V293-S455 WeakPolarHBondContact CG1-O 3.41Š|
| 456 | D | 31.3 | Very low | 32 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 56% | 0.556 | 70% | 0.704 | S | S | * | * | | | | 94.2 | 141.9 | 120.1 | -81.7 | -73.3 | 0 | 0 | 0 | 129.7 | | |
| 457 | N | 30 | Very low | 31.2 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | | | trans | 93 | 156.6 | 146.4 | -94 | -58.5 | 0 | 0 | 0 | 126.6 | | |
| 458 | R | 31.1 | Very low | 31.1 | Very low | 205 Ų | 205 | 136.2 Ų | 136.2 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | | | trans | -138.2 | 161 | -160.7 | -148.8 | -160.8 | -174.4 | 179.1 | 4.3 | 114.1 | | |
| 459 | P | 35.1 | Very low | 30.6 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | | | | -147 | -144.5 | 109.4 | 39.4 | -20.8 | 0 | 0 | 0 | 115.8 | | |
| 460 | S | 26.8 | Very low | 30.8 | Very low | 77 Ų | 77 | 138 Ų | 138 | 54% | 0.538 | 71% | 0.711 | S | S | . | * | | | trans | -157.5 | 148.4 | -148.9 | -60.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 461 | V | 26.5 | Very low | 30.7 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 83% | 0.83 | 72% | 0.716 | S | S | * | * | | | trans | 74.3 | 159.7 | 139.6 | 171.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 462 | P | 49 | Very low | 30.8 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | | | cis | -127.2 | 177.9 | -12.4 | 25.6 | -2.5 | 0 | 0 | 0 | 116.9 | | |
| 463 | V | 30.3 | Very low | 30.5 | Very low | 128 Ų | 128 | 140 Ų | 140 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | | 159.8 | 147 | 118.7 | 165.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 464 | Q | 29 | Very low | 30.4 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | -46.3 | 175.6 | 179.3 | -59.6 | 170.2 | -2.8 | 0 | 0 | 117.8 | | |
| 465 | L | 29.4 | Very low | 30.4 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | | | cis | -138 | 176.4 | 28.1 | -91.3 | 90.7 | 0 | 0 | 0 | 114.8 | | |
| 466 | Q | 27.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 51% | 0.509 | 75% | 0.75 | S | S | . | * | | | trans | -142.1 | 139.1 | -176.5 | 173.6 | 173.5 | 27.8 | 0 | 0 | 112 | | |
| 467 | Y | 29.6 | Very low | 30.6 | Very low | 225 Ų | 225 | 142.1 Ų | 142.1 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | | | trans | -143.9 | 164 | 160.2 | -91.5 | -72.2 | 0 | 0 | 0 | 111.8 | | |
| 468 | F | 28.2 | Very low | 30.6 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | | | trans | -150.5 | 143.6 | -160.3 | -151.8 | -84.8 | 0 | 0 | 0 | 110.7 | | |
| 469 | L | 28.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | -141.2 | 159.7 | 170.2 | -85.9 | 174.7 | 0 | 0 | 0 | 109.8 | | |
| 470 | P | 34.4 | Very low | 30.3 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | trans | -95.6 | 162.5 | -143.1 | -6.9 | 27.1 | 0 | 0 | 0 | 115.5 | | |
| 471 | A | 28.7 | Very low | 30.4 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | | | trans | -91.4 | 134.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 472 | Y | 26.9 | Very low | 30.4 | Very low | 243 Ų | 243 | 145.6 Ų | 145.6 | 95% | 0.953 | 76% | 0.76 | S | S | * | * | | | trans | -120.4 | 141.5 | 154.9 | -107.1 | -91.4 | 0 | 0 | 0 | 108.3 | | |
| 473 | S | 26.4 | Very low | 29.7 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -103.9 | 138.3 | -177.2 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 474 | S | 27 | Very low | 29.9 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | -153.8 | 143.3 | 160.1 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 475 | S | 28.5 | Very low | 29.9 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 48% | 0.476 | 76% | 0.759 | S | S | . | * | | | trans | -109.7 | 121.7 | -158.3 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 476 | Y | 32.1 | Very low | 29.9 | Very low | 221 Ų | 221 | 143.3 Ų | 143.3 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | trans | -86.7 | 137.7 | 161.2 | -88.5 | -96.3 | 0 | 0 | 0 | 111 | | |
| 477 | P | 36.6 | Very low | 29.7 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | trans | -103.8 | 99.9 | 153 | 32.8 | -24.1 | 0 | 0 | 0 | 109.9 | | |
| 478 | L | 30.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | -106.8 | 123.3 | 176.2 | -171.4 | 68.6 | 0 | 0 | 0 | 111.1 | | |
| 479 | T | 29.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | | | trans | 26.7 | 109.5 | 163.8 | 61.7 | 0 | 0 | 0 | 0 | 119.1 | T481 | T479-T481 PolarHBondContact O-N 3.25Š|
| 480 | H | 31.6 | Very low | 29.8 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | trans | -78.2 | 110.2 | 151.6 | -85.7 | -63.4 | 0 | 0 | 0 | 110.6 | Y482 | H480-Y482 PolarHBondContact O-N 3.04Å; H480-Y482 VanDerWaalsContact O-N 3.16Å |
| 481 | T | 28.7 | Very low | 29.7 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -65.6 | 108.3 | 169 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | T479 T483 | T479-T481 PolarHBondContact O-N 3.25Å; T481-T483 PolarHBondContact O-N 2.67Å |
| 482 | Y | 27 | Very low | 29.7 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -87.5 | 103.9 | 175.2 | -170.6 | -89.3 | 0 | 0 | 0 | 110.4 | H480 P484 | H480-Y482 PolarHBondContact O-N 3.04Å; H480-Y482 VanDerWaalsContact O-N 3.16Å; Y482-P484 WeakPolarHBondContact O-CD 3.26Å |
| 483 | T | 33.8 | Very low | 29.9 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | trans | -76 | 118.3 | 171.3 | 44.5 | 0 | 0 | 0 | 0 | 110.4 | T481 | T481-T483 PolarHBondContact O-N 2.67Š|
| 484 | P | 33.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | trans | -72.8 | 131.9 | -177 | 29.1 | -34.5 | 0 | 0 | 0 | 111.8 | Y482 S486 | Y482-P484 WeakPolarHBondContact O-CD 3.26Å; P484-S486 PolarHBondContact O-N 2.77Å; P484-S486 VanDerWaalsContact O-N 3.15Å |
| 485 | I | 29.3 | Very low | 29.8 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | | | trans | -76.4 | 102 | 171.6 | -61.6 | 177.5 | 0 | 0 | 0 | 108.6 | | |
| 486 | S | 29.1 | Very low | 29.9 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -69.9 | 135.6 | 171 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | P484 | P484-S486 PolarHBondContact O-N 2.77Å; P484-S486 VanDerWaalsContact O-N 3.15Å |
| 487 | S | 24.5 | Very low | 29.7 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | -146.2 | 140.9 | 178.7 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 488 | P | 34.1 | Very low | 29.5 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -81.6 | 132.4 | -131 | 27.5 | -36.3 | 0 | 0 | 0 | 115.7 | | |
| 489 | V | 26.7 | Very low | 29.5 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | -83 | 130.7 | 153.1 | 170.9 | 0 | 0 | 0 | 0 | 108.6 | T491 | V489-T491 PolarHBondContact O-N 2.99Š|
| 490 | S | 27.3 | Very low | 29.3 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -73.6 | 104 | 174.3 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | I492 | S490-I492 PolarHBondContact O-N 3.09Š|
| 491 | T | 33.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -68.8 | 96.8 | 169.1 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | V489 R493 | V489-T491 PolarHBondContact O-N 2.99Å; T491-R493 PolarHBondContact O-N 3.26Å |
| 492 | I | 29.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -68 | 113.4 | 159.6 | -69.7 | 176.9 | 0 | 0 | 0 | 107.2 | S490 Q494 | S490-I492 PolarHBondContact O-N 3.09Å; I492-Q494 PolarHBondContact O-N 2.74Å |
| 493 | R | 30.1 | Very low | 29.6 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 117 | 161.9 | -87.7 | -177.6 | 166.7 | -97 | 1.7 | 108.2 | T491 Y495 | T491-R493 PolarHBondContact O-N 3.26Å; R493-Y495 PolarHBondContact O-N 2.76Å |
| 494 | Q | 26.3 | Very low | 29.3 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127.5 | 157.2 | -67.1 | 174.7 | -10.4 | 0 | 0 | 107.7 | I492 | I492-Q494 PolarHBondContact O-N 2.74Š|
| 495 | Y | 26.2 | Very low | 28.8 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 135.8 | 163.3 | -83.4 | -89.1 | 0 | 0 | 0 | 108.1 | R493 | R493-Y495 PolarHBondContact O-N 2.76Š|
| 496 | P | 30 | Very low | 28.7 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 137.6 | 174.1 | 30.1 | -33.7 | 0 | 0 | 0 | 110.1 | | |
| 497 | V | 28.1 | Very low | 29.3 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -127.6 | 104.2 | 168.4 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 498 | T | 30.8 | Very low | 29.4 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -78.8 | 145.8 | 162.3 | 36.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 499 | P | 30.5 | Very low | 29.1 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | | -130.9 | 168 | 107.7 | 37.4 | -30.3 | 0 | 0 | 0 | 112.7 | | |
| 500 | Q | 24.8 | Very low | 29.2 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -129.5 | 123.8 | -166.8 | 172.9 | 177.6 | -33 | 0 | 0 | 113.7 | | |
| 501 | A | 35.2 | Very low | 29.3 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | | | trans | 61.6 | -178.5 | 157 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 502 | P | 32.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | cis | -97 | -176.6 | 16.1 | 39.6 | -36.4 | 0 | 0 | 0 | 115.7 | | |
| 503 | S | 27 | Very low | 29.3 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -142.2 | 151 | -175.1 | -50.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 504 | S | 26.5 | Very low | 29.5 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -174.2 | 153.2 | 143.1 | -138.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 505 | A | 23.9 | Very low | 29.7 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | cis | -141.6 | -175.6 | 8.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 506 | L | 27.2 | Very low | 29.9 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | trans | -99.3 | -176.4 | -175.7 | -66.3 | 170.6 | 0 | 0 | 0 | 111.4 | | |
| 507 | P | 40.6 | Very low | 30.1 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | cis | -142.4 | 176.7 | 7.8 | 43.8 | -25.4 | 0 | 0 | 0 | 118.9 | | |
| 508 | A | 26.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | 66.9 | 154.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 509 | Q | 28.2 | Very low | 30.4 | Very low | 200 Ų | 200 | 124.4 Ų | 124.4 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | cis | -140.3 | -171 | -10.5 | -144.5 | -176.3 | -6.7 | 0 | 0 | 109.9 | | |
| 510 | A | 29.2 | Very low | 30.7 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -115 | 152.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 511 | G | 29.1 | Very low | 31 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | 175 | 98.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 512 | V | 30.1 | Very low | 31 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 98% | 0.976 | 81% | 0.808 | S | S | * | * | | | trans | 30.1 | 123.4 | 151.1 | -169.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 513 | G | 32.1 | Very low | 31.1 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | trans | 166.3 | 125.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 514 | V | 34.4 | Very low | 31.4 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | | | trans | -112.3 | 115.5 | -177.4 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 515 | A | 30.6 | Very low | 31.9 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | | | trans | -160 | 95.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 516 | T | 30.8 | Very low | 32.2 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | | | trans | -91.8 | 98.8 | 173.9 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | V518 | T516-V518 PolarHBondContact O-N 3.16Š|
| 517 | T | 33.6 | Very low | 32.5 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | | | trans | -81.9 | 108.3 | 169.5 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | H519 | T517-H519 PolarHBondContact O-N 3.2Š|
| 518 | V | 32.3 | Very low | 32.3 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -80.6 | 83.7 | -179.2 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | T516 L520 | T516-V518 PolarHBondContact O-N 3.16Å; V518-L520 HydrophobicContact CG1-CD1 4.31Å; V518-L520 HydrophobicContact CG1-CG 4.25Å; V518-L520 PolarHBondContact O-N 3.18Å |
| 519 | H | 32.6 | Very low | 32.5 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | | | trans | -70 | 116.8 | 173.7 | 173.2 | -93.5 | 0 | 0 | 0 | 111.1 | T517 | T517-H519 PolarHBondContact O-N 3.2Š|
| 520 | L | 37.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 71% | 0.712 | 81% | 0.814 | S | S | * | * | | | trans | -117.5 | 141.7 | 175.3 | -77.5 | 168.8 | 0 | 0 | 0 | 111.6 | V518 | V518-L520 HydrophobicContact CG1-CD1 4.31Å; V518-L520 HydrophobicContact CG1-CG 4.25Å; V518-L520 PolarHBondContact O-N 3.18Å |
| 521 | N | 30.9 | Very low | 33 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | | | trans | -65 | 137.4 | -167.5 | -79.1 | -82.6 | 0 | 0 | 0 | 113.9 | M523 | N521-M523 PolarHBondContact O-N 3.07Š|
| 522 | H | 36 | Very low | 32.9 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | | | trans | -76 | 115 | 162 | -83.5 | 56.3 | 0 | 0 | 0 | 110.3 | Q524 | H522-Q524 PolarHBondContact O-N 2.89Š|
| 523 | M | 33 | Very low | 33 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | | | trans | -73.4 | 107.3 | 166.7 | -85.2 | -65.8 | -59.6 | 0 | 0 | 109.8 | N521 L525 | N521-M523 PolarHBondContact O-N 3.07Å; M523-L525 PolarHBondContact O-N 2.86Å |
| 524 | Q | 34.5 | Very low | 33.4 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -65 | 113.5 | 174.1 | -70.3 | 176 | -33.4 | 0 | 0 | 110.7 | H522 | H522-Q524 PolarHBondContact O-N 2.89Š|
| 525 | L | 35.8 | Very low | 33.1 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 134.3 | 161.5 | -114.9 | 76 | 0 | 0 | 0 | 109.1 | M523 T527 | M523-L525 PolarHBondContact O-N 2.86Å; L525-T527 PolarHBondContact O-N 3.18Å |
| 526 | M | 30.8 | Very low | 33 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117.3 | 177.3 | -69.6 | -177.8 | 172.1 | 0 | 0 | 110.8 | | |
| 527 | T | 34 | Very low | 32.8 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 137 | 165.4 | 37.5 | 0 | 0 | 0 | 0 | 110.2 | L525 | L525-T527 PolarHBondContact O-N 3.18Š|
| 528 | V | 36.6 | Very low | 32.6 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 124.1 | 173.4 | 174.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 529 | D | 31.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 67% | 0.668 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 137.1 | 175.6 | 177.6 | -97.4 | 0 | 0 | 0 | 112.4 | | |
| 530 | R | 32 | Very low | 32.1 | Very low | 240 Ų | 240 | 148.9 Ų | 148.9 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | | | trans | -165.7 | 131.6 | 148.3 | -115 | 171.1 | -168.9 | -115.3 | -3.1 | 112.5 | | |
| 531 | I | 34.1 | Very low | 31.6 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -89.6 | 142 | -178.4 | -60.6 | 165.5 | 0 | 0 | 0 | 111.1 | | |
| 532 | G | 28.3 | Very low | 31.6 | Very low | 76 Ų | 76 | 147.8 Ų | 147.8 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | trans | -177.2 | 99.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 533 | L | 31.2 | Very low | 31.3 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | | | trans | -72.4 | 173.8 | 179.5 | -72.8 | 165.8 | 0 | 0 | 0 | 113.9 | | |
| 534 | P | 41.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | | | cis | -133.9 | 172.6 | -26 | 34.7 | -18.1 | 0 | 0 | 0 | 113.9 | | |
| 535 | S | 28 | Very low | 31.1 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -161.4 | 167.4 | 138.8 | -152 | 0 | 0 | 0 | 0 | 113.1 | | |
| 536 | A | 28.9 | Very low | 30.8 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -79 | 160.2 | -158.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 537 | Q | 25.8 | Very low | 31.2 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -76.5 | 156.5 | 164.4 | -60.9 | 168.3 | -97.1 | 0 | 0 | 111.2 | | |
| 538 | I | 28.8 | Very low | 30.9 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -118.3 | 139.5 | 150.9 | -66.4 | 179.5 | 0 | 0 | 0 | 107.2 | | |
| 539 | S | 24.3 | Very low | 30.6 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | | | trans | -113.2 | 135.7 | -176.4 | -179 | 0 | 0 | 0 | 0 | 110.7 | | |
| 540 | T | 30.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | trans | -134.7 | 101.8 | 163.2 | 51.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 541 | Q | 28.2 | Very low | 30.4 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -85.9 | 144.8 | 163.8 | -70.4 | -162.4 | 27.5 | 0 | 0 | 109.6 | | |
| 542 | G | 29.5 | Very low | 30.1 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | -179.9 | 99.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 543 | I | 29.5 | Very low | 30.1 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 92% | 0.918 | 81% | 0.813 | S | S | * | * | | | trans | 75.4 | 127.6 | 159.6 | -54 | 162.2 | 0 | 0 | 0 | 116.2 | | |
| 544 | Q | 29.3 | Very low | 29.8 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 71% | 0.71 | 81% | 0.812 | S | S | * | * | | | trans | -112.8 | 164.2 | 171.1 | -161.3 | -152.7 | 99.4 | 0 | 0 | 108.2 | | |
| 545 | P | 34.3 | Very low | 30.1 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | | -138.2 | 163.7 | 120.2 | 36.4 | -25.1 | 0 | 0 | 0 | 115.1 | | |
| 546 | A | 29.3 | Very low | 30 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 58% | 0.579 | 80% | 0.798 | S | S | * | * | | | trans | -92.5 | 163.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 547 | P | 39.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -82.6 | 154.9 | 178.5 | 34.4 | -36.2 | 0 | 0 | 0 | 113.3 | | |
| 548 | I | 29 | Very low | 30 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | -131.4 | 147.8 | 173.9 | -64.9 | -177.9 | 0 | 0 | 0 | 109.7 | | |
| 549 | A | 28.4 | Very low | 30 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | -91.8 | 177.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 550 | A | 31.2 | Very low | 30.3 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -113 | 128.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 551 | Q | 29.3 | Very low | 30.1 | Very low | 205 Ų | 205 | 134 Ų | 134 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | | | trans | -153.5 | 151.6 | 155.2 | -64.9 | -168.4 | -14.6 | 0 | 0 | 106.2 | | |
| 552 | G | 27.1 | Very low | 30.1 | Very low | 65 Ų | 65 | 128.6 Ų | 128.6 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | cis | 171.6 | -178.8 | -4.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 553 | I | 29.6 | Very low | 30 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | | | trans | 81.4 | 154.4 | 167.3 | -52 | 169.6 | 0 | 0 | 0 | 116.7 | | |
| 554 | Q | 24.8 | Very low | 30 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | -144.8 | -177.6 | -171.4 | -131.1 | -161.4 | 17.7 | 0 | 0 | 107.8 | | |
| 555 | P | 46.7 | Very low | 29.9 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | cis | -137.5 | -159.1 | -11.6 | 40 | -18.9 | 0 | 0 | 0 | 114.8 | | |
| 556 | A | 26.3 | Very low | 29.5 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | 81.4 | 150.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 557 | Q | 27.2 | Very low | 29.4 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | cis | -165.4 | 160.8 | -9.5 | -122.9 | 177.9 | -1.5 | 0 | 0 | 112.1 | | |
| 558 | I | 27.7 | Very low | 28.8 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 82% | 0.821 | 79% | 0.787 | S | S | * | * | | | trans | 67.9 | 145 | 158.1 | -60.2 | 156.9 | 0 | 0 | 0 | 116.6 | | |
| 559 | G | 28.3 | Very low | 28.8 | Very low | 59 Ų | 59 | 128.5 Ų | 128.5 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | | | cis | 171.1 | 173.2 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 560 | V | 29.8 | Very low | 28.6 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | 57.5 | 115.6 | 161.1 | -66.5 | 0 | 0 | 0 | 0 | 125 | | |
| 561 | Q | 27.6 | Very low | 28.6 | Very low | 197 Ų | 197 | 128.9 Ų | 128.9 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | | 37 | 145.7 | 123.5 | -58.7 | -169.3 | 85.6 | 0 | 0 | 125.1 | | |
| 562 | G | 28.8 | Very low | 28.6 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 117.2 | 115.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 563 | L | 26.8 | Very low | 28.6 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | cis | 90.2 | 115.7 | 28.2 | -160.3 | 79.2 | 0 | 0 | 0 | 114.5 | | |
| 564 | H | 29.7 | Very low | 28.6 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | 60.4 | 162.7 | 163.7 | 75.4 | -113.1 | 0 | 0 | 0 | 117.8 | | |
| 565 | T | 25.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | cis | -162.6 | 169.3 | -26.1 | 22.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 566 | S | 26.3 | Very low | 28.6 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | 68.5 | 147.3 | 151.4 | 47 | 0 | 0 | 0 | 0 | 120.6 | | |
| 567 | A | 27.9 | Very low | 28.7 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | -114.9 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 568 | S | 26.4 | Very low | 29.4 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -179.6 | 145.5 | 143.7 | 51.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 569 | I | 28.8 | Very low | 29.4 | Very low | 155 Ų | 155 | 124 Ų | 124 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | | | trans | 60.8 | 107.1 | 136.2 | -64.9 | 168.7 | 0 | 0 | 0 | 118.1 | | |
| 570 | A | 25.4 | Very low | 29.4 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | | | | 84.7 | 164.3 | 82.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 571 | T | 30.2 | Very low | 29.4 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | cis | -163.7 | 165.5 | 15.4 | -24.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 572 | Q | 29 | Very low | 29.4 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | | | trans | 70.2 | 155.1 | 160.6 | -59.9 | -169.9 | 19.7 | 0 | 0 | 119.7 | | |
| 573 | G | 27.6 | Very low | 29.3 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | | | cis | -114.7 | -129.7 | -0 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 574 | V | 29.9 | Very low | 29.3 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | cis | -158.1 | -174.1 | -1.2 | -142.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 575 | Q | 29.8 | Very low | 29.3 | Very low | 173 Ų | 173 | 126.9 Ų | 126.9 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | trans | -153.5 | 177.2 | 176.4 | -91.5 | -120.2 | 58.8 | 0 | 0 | 109.7 | | |
| 576 | P | 41.7 | Very low | 29.3 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | cis | -136.9 | -165.1 | 10.2 | 43.9 | -24.5 | 0 | 0 | 0 | 116.9 | | |
| 577 | A | 28.8 | Very low | 30 | Very low | 87 Ų | 87 | 129.5 Ų | 129.5 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | trans | -125.9 | 156.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 578 | P | 41 | Very low | 29.9 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | | -147.8 | 145.9 | 126.6 | 25.4 | -3.5 | 0 | 0 | 0 | 114.1 | | |
| 579 | I | 28 | Very low | 30 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 80% | 0.795 | 75% | 0.75 | S | S | * | * | | | | 100.4 | 119.7 | 58.4 | -73.7 | 168.2 | 0 | 0 | 0 | 115.1 | | |
| 580 | V | 28.7 | Very low | 30 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | | | trans | 72 | 148.1 | 155.5 | 165.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 581 | T | 28.5 | Very low | 30.1 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | cis | -153 | 176.8 | 35.1 | -19.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 582 | Q | 27.6 | Very low | 29.8 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | -18.6 | 171.1 | 145.5 | -73.3 | -164.9 | 104.9 | 0 | 0 | 120.4 | | |
| 583 | Q | 26.6 | Very low | 30.7 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | cis | 179.7 | 166.7 | -22.2 | -165.4 | -166.8 | 82.2 | 0 | 0 | 108.1 | | |
| 584 | Q | 28.4 | Very low | 30.6 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 62% | 0.621 | 76% | 0.757 | S | S | * | * | | | trans | 77.2 | 126.3 | 159.6 | -76.1 | -178.2 | 29.9 | 0 | 0 | 123.6 | | |
| 585 | Q | 28.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | | | trans | 74.4 | 116.6 | 130.1 | -65.7 | 169.5 | 15.9 | 0 | 0 | 123.4 | | |
| 586 | Q | 25.6 | Very low | 30.2 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | | 27.2 | 150.2 | 120.1 | -82.2 | -169.5 | -0.9 | 0 | 0 | 121.2 | | |
| 587 | P | 41.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | | | cis | -147.1 | -177.8 | 36.9 | 45.6 | -27 | 0 | 0 | 0 | 119.2 | | |
| 588 | Q | 25.9 | Very low | 29.6 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | 78.9 | 125.8 | 152 | -79.1 | -177 | 0.3 | 0 | 0 | 123.7 | | |
| 589 | Q | 27.5 | Very low | 29.8 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | trans | 65.3 | 117.2 | 138.2 | -61.2 | -174.2 | 42.1 | 0 | 0 | 122.5 | | |
| 590 | Q | 28.7 | Very low | 29.7 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | | 4.1 | 130.6 | 127.5 | -65.2 | 176.9 | -2.5 | 0 | 0 | 115.8 | | |
| 591 | Q | 27.8 | Very low | 30.3 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | | -158.2 | 174.5 | 57.5 | -121.8 | 154.2 | 59 | 0 | 0 | 113.8 | | |
| 592 | Q | 24.4 | Very low | 30.3 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | -78.9 | 177.6 | 173.6 | -109.8 | -173.7 | -6.8 | 0 | 0 | 112.1 | | |
| 593 | P | 48.4 | Very low | 30.6 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | cis | -139.4 | -178.7 | 6.3 | 36.7 | -15.1 | 0 | 0 | 0 | 117.8 | | |
| 594 | Q | 24.8 | Very low | 30.7 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | 69.8 | 150.1 | 166.6 | -41.7 | -167.5 | -61.5 | 0 | 0 | 116.1 | | |
| 595 | T | 26.4 | Very low | 30.5 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | cis | -155.8 | 159.4 | 23.5 | -41.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 596 | E | 24.3 | Very low | 30.5 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | 75.9 | 161.8 | 148.3 | -113.8 | -172.5 | 96 | 0 | 0 | 126 | | |
| 597 | A | 24.9 | Very low | 30.4 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | 83.4 | 116.7 | 151 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 598 | K | 32.4 | Very low | 29.8 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -85 | -161 | 151 | -37.8 | 163.8 | 179.5 | 169.1 | 0 | 108.3 | | |
| 599 | P | 47 | Very low | 29.8 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | cis | -127.8 | -166.3 | -31.3 | 34.1 | -14.5 | 0 | 0 | 0 | 111.4 | | |
| 600 | G | 25.8 | Very low | 30 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | -175.4 | 142 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 601 | V | 40.8 | Very low | 30.4 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -143.5 | 136.7 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 602 | V | 27.4 | Very low | 30.5 | Very low | 140 Ų | 140 | 134 Ų | 134 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -144.5 | 150.7 | 172.7 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 603 | L | 35 | Very low | 30.3 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -101.7 | 157.8 | -179.9 | -68.3 | 70.8 | 0 | 0 | 0 | 112.2 | | |
| 604 | A | 28.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | | | trans | -168.6 | 166.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 605 | D | 24.2 | Very low | 29.5 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -105 | 166.5 | -176.3 | -172.4 | -93.1 | 0 | 0 | 0 | 112.9 | | |
| 606 | G | 28.2 | Very low | 29.5 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 165.4 | 63.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 607 | F | 25 | Very low | 29.6 | Very low | 180 Ų | 180 | 127 Ų | 127 | 79% | 0.789 | 79% | 0.791 | S | S | * | * | | | trans | 26.1 | 132 | 144.6 | -88.1 | -110.2 | 0 | 0 | 0 | 124.9 | | |
| 608 | V | 29.3 | Very low | 29.4 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 69.2 | 111.8 | 147.5 | -173.8 | 0 | 0 | 0 | 0 | 121 | | |
| 609 | A | 24.9 | Very low | 29.1 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | | -171.3 | 146.7 | 117.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 610 | S | 31 | Very low | 28 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -165 | 132.8 | 159.4 | -76.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 611 | P | 38.5 | Very low | 28.9 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | | -154.8 | 151.4 | 109.6 | 38.6 | -21.1 | 0 | 0 | 0 | 116.7 | | |
| 612 | I | 28.6 | Very low | 28.1 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | 60.7 | 137.2 | 130.2 | -61.3 | 171.3 | 0 | 0 | 0 | 118 | | |
| 613 | S | 21.9 | Very low | 28.1 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | cis | -155.5 | 176.4 | 16.4 | -144.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 614 | T | 30.1 | Very low | 27.9 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -73.7 | 165 | 163.2 | 50.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 615 | T | 25.6 | Very low | 27.7 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -163.6 | 159.5 | 139.7 | -78.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 616 | F | 27.2 | Very low | 27.7 | Very low | 210 Ų | 210 | 123 Ų | 123 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | | | trans | -65.4 | 176.4 | 173.4 | -74.4 | -116.2 | 0 | 0 | 0 | 112.3 | | |
| 617 | G | 24.8 | Very low | 27.8 | Very low | 63 Ų | 63 | 127.9 Ų | 127.9 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | | | cis | 165.2 | -162.8 | 2.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 618 | A | 22.2 | Very low | 27.8 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | 68.1 | 141.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 619 | T | 25.1 | Very low | 27.8 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | cis | 107.3 | 115 | 6.4 | -58.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 620 | Q | 24.8 | Very low | 28 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | 70.5 | 167.5 | 166.2 | -66.6 | -77.1 | 21.8 | 0 | 0 | 117.1 | | |
| 621 | P | 43.6 | Very low | 27.9 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | cis | -135.6 | -160.9 | -20.8 | 24.4 | 1 | 0 | 0 | 0 | 114 | | |
| 622 | V | 23.8 | Very low | 27.3 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | 81.8 | 116 | 160.1 | -171.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 623 | A | 27.7 | Very low | 27.5 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | 94 | 125.8 | 11 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 624 | T | 30.6 | Very low | 27.8 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | trans | 174 | 133.1 | 173.2 | -88.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 625 | M | 24.2 | Very low | 27.8 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | cis | -145 | 152.6 | -11.7 | -98.8 | -173.4 | -78.7 | 0 | 0 | 106.7 | | |
| 626 | V | 25.8 | Very low | 28 | Very low | 112 Ų | 112 | 124 Ų | 124 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | | 69.8 | 133.2 | 53.4 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 627 | Q | 29.1 | Very low | 28 | Very low | 169 Ų | 169 | 118 Ų | 118 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | cis | -94.2 | -132 | 14.3 | -152.2 | 73.3 | -99.9 | 0 | 0 | 114.1 | | |
| 628 | A | 25.6 | Very low | 28.1 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | cis | -142.1 | -178.3 | 13.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 629 | H | 29.3 | Very low | 29 | Very low | 167 Ų | 167 | 120.9 Ų | 120.9 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -157.7 | 163 | -158 | -136.7 | -78.6 | 0 | 0 | 0 | 119.7 | | |
| 630 | T | 29.4 | Very low | 29 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | | | trans | 81.6 | 162.6 | 168 | 79 | 0 | 0 | 0 | 0 | 117.2 | | |
| 631 | Q | 27.9 | Very low | 29.3 | Very low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | cis | -151.9 | -167.7 | 2.9 | -142.6 | 175.9 | 128.4 | 0 | 0 | 112.8 | | |
| 632 | G | 25.6 | Very low | 28.5 | Very low | 56 Ų | 56 | 121.1 Ų | 121.1 | 58% | 0.577 | 79% | 0.79 | S | S | * | * | | | trans | -133.7 | -154.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 633 | P | 33.4 | Very low | 28.7 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | | | cis | -124.5 | -151.7 | -0.1 | 42.9 | -25.7 | 0 | 0 | 0 | 112.6 | | |
| 634 | G | 27.3 | Very low | 28.9 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | -155.3 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 635 | V | 31 | Very low | 29.2 | Very low | 160 Ų | 160 | 121 Ų | 121 | 97% | 0.97 | 79% | 0.792 | S | S | * | * | | | trans | -142.9 | 153.3 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 636 | G | 29.5 | Very low | 29.5 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -142 | -174.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 637 | G | 27.7 | Very low | 29.7 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | | | trans | -161.5 | 155.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 638 | A | 27.2 | Very low | 30 | Very low | 98 Ų | 98 | 120 Ų | 120 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -114.1 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 639 | P | 39.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | cis | -139.7 | -164.4 | 5.9 | 43.4 | -24.7 | 0 | 0 | 0 | 115.4 | | |
| 640 | N | 26.6 | Very low | 30.9 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | 117.6 | 159.7 | 145.2 | -147.7 | 6.1 | 0 | 0 | 0 | 117.6 | | |
| 641 | L | 30.3 | Very low | 31.4 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | | | trans | -84.4 | 138.2 | -163.3 | -65.1 | 155.3 | 0 | 0 | 0 | 113.9 | | |
| 642 | G | 27.6 | Very low | 31.5 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -153.6 | 80.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 643 | S | 26.8 | Very low | 31.9 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -76.5 | 143.6 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | P645 | S643-P645 WeakPolarHBondContact O-CD 3.33Š|
| 644 | S | 33.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -59.8 | 140.2 | 172.7 | -178.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 645 | P | 35.7 | Very low | 32.2 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -143.3 | 118.6 | 144 | 33.1 | -13.9 | 0 | 0 | 0 | 115.1 | S643 | S643-P645 WeakPolarHBondContact O-CD 3.33Š|
| 646 | R | 31.6 | Very low | 31.9 | Very low | 201 Ų | 201 | 129.1 Ų | 129.1 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | | | | 25.4 | 117.8 | 119.5 | 179.6 | -163.6 | -174.7 | 174 | 3 | 117.3 | S648 | R646-S648 PolarHBondContact O-N 2.99Å; R646-S648 VanDerWaalsContact O-N 3.12Å |
| 647 | P | 29.9 | Very low | 31.7 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -69.8 | 109.5 | 163.5 | 28.9 | -33.1 | 0 | 0 | 0 | 111.1 | | |
| 648 | S | 36 | Very low | 31.6 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 52% | 0.524 | 78% | 0.78 | S | S | . | * | | | trans | -161.1 | 112.3 | 166.2 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | R646 | R646-S648 PolarHBondContact O-N 2.99Å; R646-S648 VanDerWaalsContact O-N 3.12Å |
| 649 | I | 37 | Very low | 31.5 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -178.4 | 127.6 | 155.9 | -97.9 | 149.4 | 0 | 0 | 0 | 105.5 | | |
| 650 | L | 35.8 | Very low | 30.8 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | | | cis | 90.4 | 153.5 | 22.2 | -161.6 | 69.6 | 0 | 0 | 0 | 114.1 | | |
| 651 | R | 39.5 | Very low | 31.2 | Very low | 203 Ų | 203 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | 82.1 | 155.3 | 172.9 | -51 | 179.8 | 171.6 | 123.9 | -3.8 | 112.8 | | |
| 652 | K | 30.5 | Very low | 31.2 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | cis | -136.8 | 156.6 | 13.8 | -156.6 | 177.4 | -179.7 | -179.5 | 0 | 111.6 | | |
| 653 | K | 33 | Very low | 31.2 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -80.7 | 161 | 167.2 | -142.9 | -158.8 | 177.4 | -169.4 | 0 | 109.6 | | |
| 654 | P | 35.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | | -134.5 | -178.3 | 117.6 | 38.7 | -30.7 | 0 | 0 | 0 | 113.2 | | |
| 655 | A | 32 | Very low | 31.1 | Very low | 79 Ų | 79 | 144 Ų | 144 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | | | trans | -147.4 | 128.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 656 | T | 25 | Very low | 31.2 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | | | trans | -157.5 | 164.4 | 178.4 | 9.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 657 | E | 25.5 | Very low | 31 | Very low | 199 Ų | 199 | 140.9 Ų | 140.9 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | | | trans | -87.4 | 162.9 | -166.9 | -62.3 | 162.5 | 117.5 | 0 | 0 | 113.6 | | |
| 658 | G | 26.7 | Very low | 30.7 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 176.9 | 112.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 659 | C | 25.4 | Very low | 30.9 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | trans | -71.6 | 165.8 | 167.2 | -149 | 0 | 0 | 0 | 0 | 109.2 | | |
| 660 | V | 24.5 | Very low | 30.3 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | cis | -158.6 | 143.7 | 29 | -163 | 0 | 0 | 0 | 0 | 106.7 | | |
| 661 | R | 33 | Very low | 29.9 | Very low | 227 Ų | 227 | 144.8 Ų | 144.8 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | | 172.6 | 135.8 | 96.6 | -82.4 | 167.5 | -158.6 | -133.2 | -1.8 | 111.8 | | |
| 662 | K | 30.4 | Very low | 29.3 | Very low | 201 Ų | 201 | 140.5 Ų | 140.5 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | 35.1 | 111.8 | 153.7 | -57.7 | -174.3 | 178.2 | -174.3 | 0 | 118.4 | | |
| 663 | A | 27.9 | Very low | 29.1 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | | 73.5 | 140.4 | 72.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 664 | L | 26.4 | Very low | 28.8 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | cis | -147 | 171.9 | 12.1 | -157.2 | 69.5 | 0 | 0 | 0 | 112.1 | | |
| 665 | I | 31.8 | Very low | 28.4 | Very low | 151 Ų | 151 | 134 Ų | 134 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | trans | -114.8 | 140.6 | 179.1 | -66.2 | 168.5 | 0 | 0 | 0 | 106.4 | | |
| 666 | P | 37.8 | Very low | 28.2 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | | | | -149.7 | -168.7 | 70.3 | 41.4 | -18 | 0 | 0 | 0 | 114.4 | | |
| 667 | T | 27.2 | Very low | 28.6 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | cis | -149.9 | 176.8 | 8.8 | -26.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 668 | Q | 25 | Very low | 28.6 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | -93.8 | -171.6 | 164.4 | -36.7 | -174.5 | -4.1 | 0 | 0 | 111.1 | | |
| 669 | P | 38.9 | Very low | 28.7 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | | | cis | -128.3 | -138.4 | -21.1 | 37 | -16.6 | 0 | 0 | 0 | 110.5 | | |
| 670 | S | 24.4 | Very low | 28.8 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | 92.9 | 157.5 | 158.6 | -49.9 | 0 | 0 | 0 | 0 | 119 | | |
| 671 | E | 27.4 | Very low | 29.3 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -104.5 | -177.7 | -158.1 | -56 | 176.7 | 90.2 | 0 | 0 | 114.4 | | |
| 672 | S | 28 | Very low | 29.2 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | 85.2 | 110.1 | 153.5 | 76.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 673 | N | 25.3 | Very low | 29.1 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | | 70 | 126.2 | 125.1 | -150 | 17.3 | 0 | 0 | 0 | 122.9 | | |
| 674 | S | 26.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | 63.3 | 89.6 | 147.3 | -171.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 675 | G | 27.6 | Very low | 29.4 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | | 90.5 | 175.4 | 111.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 676 | R | 27.9 | Very low | 29.5 | Very low | 241 Ų | 241 | 129 Ų | 129 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | 103.1 | 147.1 | 168.5 | -152.2 | 163.1 | -173.8 | 165.7 | 0.7 | 118.6 | | |
| 677 | I | 32.7 | Very low | 30 | Very low | 134 Ų | 134 | 130 Ų | 130 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | | | trans | -72.3 | 178.4 | -176.5 | 62.7 | 178 | 0 | 0 | 0 | 113.5 | | |
| 678 | D | 26.3 | Very low | 30.3 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | cis | -149.1 | 171 | 7.1 | -145.8 | -116.9 | 0 | 0 | 0 | 107.4 | | |
| 679 | G | 27.5 | Very low | 31.4 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | | 115.2 | 130.3 | 65.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 680 | G | 27.9 | Very low | 30.8 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 162.5 | 141.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 681 | V | 35.5 | Very low | 31 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | -149.4 | 166.7 | -151.9 | -176.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 682 | R | 31.6 | Very low | 31.1 | Very low | 248 Ų | 248 | 125.9 Ų | 125.9 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | | | trans | 95.9 | 150.7 | 170.1 | -54.1 | 176.2 | -169.8 | -103.3 | 2.6 | 115.1 | | |
| 683 | G | 28 | Very low | 31.1 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | cis | -167.3 | 141.2 | -7.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 684 | A | 33.2 | Very low | 31.6 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 95% | 0.95 | 80% | 0.802 | S | S | * | * | | | | 82.9 | 123.6 | 87.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 685 | G | 26.5 | Very low | 31.6 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | 163 | 130.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 686 | S | 33.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -166 | 147.6 | 176.8 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 687 | P | 49.2 | Very low | 31.4 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | | -147.9 | -169.3 | 95.9 | 38 | -18.8 | 0 | 0 | 0 | 114.7 | | |
| 688 | R | 33.9 | Very low | 31.3 | Very low | 205 Ų | 205 | 128 Ų | 128 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | | | trans | -132.6 | 159.3 | -168.9 | -155.8 | -138.2 | 177.7 | 168.1 | 1.1 | 113 | A690 | R688-A690 PolarHBondContact NH1-O 2.83Å; R688-A690 VanDerWaalsContact NH1-O 3.09Å |
| 689 | P | 46.8 | Very low | 31.4 | Very low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | | -136 | -179.6 | 123.2 | 40.2 | -30.3 | 0 | 0 | 0 | 112.1 | | |
| 690 | A | 27.7 | Very low | 31.4 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 60% | 0.603 | 77% | 0.769 | S | S | * | * | | | cis | -122.3 | -133.9 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R688 | R688-A690 PolarHBondContact NH1-O 2.83Å; R688-A690 VanDerWaalsContact NH1-O 3.09Å |
| 691 | G | 27.5 | Very low | 31.4 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | cis | -179.1 | -164.8 | 11.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 692 | V | 28.9 | Very low | 31.1 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 96% | 0.964 | 77% | 0.766 | S | S | * | * | | | trans | -104.1 | 173.1 | -159.9 | -82.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 693 | K | 28.2 | Very low | 30.8 | Very low | 187 Ų | 187 | 120.1 Ų | 120.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -156.5 | 154.4 | -166 | -170.8 | -174.5 | -175.6 | -176.1 | 0 | 109 | | |
| 694 | P | 36 | Very low | 31.2 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | | -147.3 | -164.2 | 121.9 | 36.7 | -18.5 | 0 | 0 | 0 | 114.5 | | |
| 695 | K | 26.3 | Very low | 31.7 | Very low | 183 Ų | 183 | 122.4 Ų | 122.4 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | trans | -159.1 | 136.3 | -169.6 | 173.1 | -131.2 | 176.4 | -159.1 | 0 | 111.2 | | |
| 696 | A | 29 | Very low | 31.8 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | | | trans | -172.5 | -176.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 697 | E | 23.1 | Very low | 31.6 | Very low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | | -151.1 | -171.1 | -68.1 | -164.8 | 140 | 122.2 | 0 | 0 | 108.3 | | |
| 698 | V | 30.9 | Very low | 30.7 | Very low | 104 Ų | 104 | 126 Ų | 126 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | | | trans | -135.1 | 140.1 | -160.7 | 174 | 0 | 0 | 0 | 0 | 113.7 | | |
| 699 | H | 29.1 | Very low | 30.4 | Very low | 85 Ų | 85 | 121 Ų | 121 | 39% | 0.394 | 75% | 0.751 | S | S | . | * | | | trans | 161.4 | 148.9 | 131.3 | -87.1 | 118.6 | 0 | 0 | 0 | 116.8 | P104 V105 | P104-H699 CarbonylContact C-O 3.59Å; P104-H699 WeakPolarHBondContact CA-O 3.45Å; V105-H699 WeakPolarHBondContact CA-O 3.1Å; V105-H699 HydrophobicContact CG2-CB 4.04Å; V105-H699 PolarHBondContact N-O 3.33Å |
| 700 | M | 27.6 | Very low | 29.5 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 53% | 0.527 | 76% | 0.756 | S | S | . | * | | | trans | 63 | 176.1 | 144.1 | -66.1 | -140.3 | 174.1 | 0 | 0 | 123.9 | P104 T106 L107 | P104-M700 CarbonylContact O-C 3.45Å; T106-M700 VanDerWaalsContact C-SD 3.53Å; L107-M700 HydrophobicContact CD2-CE 4.06Å; L107-M700 PolarHBondContact N-SD 2.74Å |
| 701 | A | 27.1 | Very low | 29.5 | Very low | 84 Ų | 84 | 125 Ų | 125 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | | | trans | -159.1 | -179.2 | -163.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 702 | V | 28.6 | Very low | 29.4 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | | | | 158.3 | 139.3 | 128.4 | 157.5 | 0 | 0 | 0 | 0 | 113 | | |
| 703 | A | 25.5 | Very low | 29.3 | Very low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | | | trans | -163.1 | 144 | 153.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 704 | P | 36.9 | Very low | 29.8 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | | | trans | -97.2 | -167.9 | 172.6 | 41.1 | -37.1 | 0 | 0 | 0 | 112.7 | | |
| 705 | P | 42.5 | Very low | 29.3 | Very low | 117 Ų | 117 | 119 Ų | 119 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | | | cis | -117.9 | -173.6 | -3.4 | 44.1 | -30.2 | 0 | 0 | 0 | 113.3 | | |
| 706 | V | 28.9 | Very low | 29.2 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | | | cis | 96.4 | 111.6 | 7 | -175.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 707 | M | 29.5 | Very low | 28.9 | Very low | 181 Ų | 181 | 116.1 Ų | 116.1 | 89% | 0.892 | 71% | 0.714 | S | S | * | * | | | trans | -150.4 | 116.3 | 162.8 | -82.6 | -74.3 | -91.2 | 0 | 0 | 107.3 | | |
| 708 | A | 30.7 | Very low | 29 | Very low | 89 Ų | 89 | 111.1 Ų | 111.1 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | | | | 89.3 | 131 | 81.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 709 | A | 28.3 | Very low | 28.6 | Very low | 100 Ų | 100 | 110.9 Ų | 110.9 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | | | cis | -126.6 | -126.5 | -1.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 710 | V | 28.2 | Very low | 28.5 | Very low | 143 Ų | 143 | 113.7 Ų | 113.7 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | | | cis | -159.8 | 177 | 6.5 | 76.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 711 | E | 26.7 | Very low | 28.5 | Very low | 129 Ų | 129 | 118 Ų | 118 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | | | trans | -100.7 | 172.8 | -177.3 | -98.2 | 171.9 | 85.3 | 0 | 0 | 113.6 | N26 | N26-E711 PolarHBondContact N-OE1 3.28Š|
| 712 | A | 26.2 | Very low | 28.4 | Very low | 86 Ų | 86 | 117.8 Ų | 117.8 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | cis | -163.2 | -179 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 713 | L | 26.9 | Very low | 28.2 | Very low | 164 Ų | 164 | 116 Ų | 116 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | | | trans | -88.5 | -176.5 | 173.2 | -76.9 | 170 | 0 | 0 | 0 | 112 | | |
| 714 | P | 37.8 | Very low | 28.2 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | | | cis | -149.3 | 174.8 | 19 | 46 | -25 | 0 | 0 | 0 | 121.1 | | |
| 715 | A | 24.6 | Very low | 28.5 | Very low | 75 Ų | 75 | 118.1 Ų | 118.1 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | | | trans | 34.8 | 138.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 126.7 | | |
| 716 | Q | 24.2 | Very low | 28 | Very low | 181 Ų | 181 | 120 Ų | 120 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | | | trans | 53.1 | 138.5 | 142.1 | -72.9 | -170.6 | -81.3 | 0 | 0 | 124.1 | | |
| 717 | G | 24.7 | Very low | 28.4 | Very low | 37 Ų | 37 | 120 Ų | 120 | 38% | 0.381 | 71% | 0.712 | S | S | . | * | | | | 132.7 | 82.5 | 123.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 718 | G | 23.4 | Very low | 28.7 | Very low | 66 Ų | 66 | 116.6 Ų | 116.6 | 68% | 0.68 | 70% | 0.696 | S | S | * | * | | | trans | 70.9 | 175.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 719 | E | 24.2 | Very low | 28.6 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 46% | 0.463 | 70% | 0.695 | S | S | . | * | | | cis | -165.3 | 173.2 | -22.1 | 63.3 | 179.3 | 93.3 | 0 | 0 | 110.9 | G17 A18 | G17-E719 WeakPolarHBondContact CA-OE1 3.39Å; G17-E719 WeakPolarHBondContact CA-OE2 3.35Å; A18-E719 PolarHBondContact N-OE1 3.04Å |
| 720 | Q | 26.8 | Very low | 28.8 | Very low | 145 Ų | 145 | 120.5 Ų | 120.5 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | | | trans | 57.1 | 114.4 | 163.1 | -63.1 | -171.9 | 48.9 | 0 | 0 | 120.6 | | |
| 721 | Q | 27.1 | Very low | 28.8 | Very low | 196 Ų | 196 | 117.6 Ų | 117.6 | 92% | 0.916 | 68% | 0.681 | S | S | * | * | | | trans | -39.2 | 126 | 150.9 | 166.4 | -161.8 | -26.2 | 0 | 0 | 115.4 | | |
| 722 | A | 24.7 | Very low | 28.7 | Very low | 81 Ų | 81 | 120 Ų | 120 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | | | trans | -169.1 | 157 | 141.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 723 | S | 23.6 | Very low | 29.9 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | | | trans | 38.2 | 119.3 | 148.8 | 52.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 724 | N | 25.3 | Very low | 30.1 | Very low | 154 Ų | 154 | 118.2 Ų | 118.2 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | | | cis | 58.1 | 140 | 40.6 | -152.1 | 54.2 | 0 | 0 | 0 | 113.6 | | |
| 725 | P | 44.7 | Very low | 29.9 | Very low | 99 Ų | 99 | 121 Ų | 121 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | | | cis | -130 | -162 | -21.3 | 41.2 | -23.9 | 0 | 0 | 0 | 111.6 | | |
| 726 | Q | 31.3 | Very low | 30.3 | Very low | 158 Ų | 158 | 124.2 Ų | 124.2 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | | | trans | 167.3 | 149.4 | 131.6 | -92 | -172.5 | -11.2 | 0 | 0 | 109.5 | | |
| 727 | H | 36.8 | Very low | 30.6 | Very low | 136 Ų | 136 | 119.1 Ų | 119.1 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | | | cis | -155.6 | 169.8 | -2.8 | -122.2 | 164.6 | 0 | 0 | 0 | 107.9 | | |
| 728 | L | 36.2 | Very low | 30.6 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 57% | 0.571 | 71% | 0.706 | S | S | * | * | | | cis | -130.8 | -45.5 | -3.1 | 171 | 62.6 | 0 | 0 | 0 | 111 | Q730 | L728-Q730 HydrophobicContact CD2-CG 3.94Å; L728-Q730 HydrophobicContact CG-CG 4.29Å |
| 729 | T | 28 | Very low | 31.4 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | | | | -138.4 | 144.5 | -65 | -53.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 730 | Q | 33.1 | Very low | 31.3 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | | | cis | -160.5 | 153.8 | -39.5 | -100.7 | 179.6 | -18.7 | 0 | 0 | 104.8 | L728 | L728-Q730 HydrophobicContact CD2-CG 3.94Å; L728-Q730 HydrophobicContact CG-CG 4.29Å |
| 731 | A | 27.4 | Very low | 31.9 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | cis | -168.9 | 170.8 | -26 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 732 | M | 26.6 | Very low | 31.9 | Very low | 181 Ų | 181 | 121.2 Ų | 121.2 | 89% | 0.892 | 73% | 0.726 | S | S | * | * | | | trans | 78.9 | 144.9 | 151.8 | -83 | -160.4 | 156.7 | 0 | 0 | 120.4 | | |
| 733 | P | 49.8 | Very low | 33.6 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 62% | 0.617 | 73% | 0.73 | S | S | * | * | | | | -145.3 | 175.7 | -89.6 | 38.2 | -17.8 | 0 | 0 | 0 | 118.5 | | |
| 734 | T | 32.9 | Very low | 34.9 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | | | trans | 65.7 | 147.9 | 154.5 | 40.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 735 | M | 32.5 | Very low | 35 | Very low | 155 Ų | 155 | 121.1 Ų | 121.1 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | | | cis | -160.4 | 175.7 | 8.8 | -109.1 | -23 | -176.4 | 0 | 0 | 107.9 | | |
| 736 | L | 33.8 | Very low | 34.4 | Very low | 143 Ų | 143 | 125 Ų | 125 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | cis | -171.9 | 159.6 | -15.6 | -179.6 | 55.3 | 0 | 0 | 0 | 110.9 | | |
| 737 | A | 29.3 | Very low | 35 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | | | trans | 64.6 | 104.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 125.5 | | |
| 738 | T | 25.7 | Very low | 34.6 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | | | | 70.7 | 178.5 | 122.5 | -9.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 739 | P | 39.3 | Very low | 34.3 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | | | | -130.6 | 151.5 | -109.2 | 43.7 | -26.7 | 0 | 0 | 0 | 120.3 | | |
| 740 | G | 22.2 | Very low | 34.3 | Very low | 74 Ų | 74 | 122.7 Ų | 122.7 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | 65.9 | -174.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 741 | P | 39.8 | Very low | 34 | Very low | 135 Ų | 135 | 122.7 Ų | 122.7 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | cis | -120.6 | -122 | -12.4 | 40.2 | -23 | 0 | 0 | 0 | 113 | | |
| 742 | V | 27.6 | Very low | 33.9 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | -120.4 | -146.8 | -169.2 | -145.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 743 | P | 59.2 | Low | 34.1 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | | | | -83.7 | -148.3 | -103.2 | 42.5 | -25.2 | 0 | 0 | 0 | 113.1 | | |
| 744 | P | 51.6 | Low | 33.6 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | cis | -141.9 | -173.7 | -8.7 | 44.2 | -24.7 | 0 | 0 | 0 | 118 | | |
| 745 | S | 27.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | 88.4 | 146.5 | 139.8 | -70.4 | 0 | 0 | 0 | 0 | 125.3 | | |
| 746 | Q | 30.9 | Very low | 33.2 | Very low | 181 Ų | 181 | 121 Ų | 121 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -96.3 | -163.9 | 175.3 | -39 | 170.8 | -23.9 | 0 | 0 | 110.3 | | |
| 747 | P | 45.2 | Very low | 33 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | cis | -138.1 | 160.9 | -14 | 36.2 | -17 | 0 | 0 | 0 | 117.4 | | |
| 748 | S | 27.8 | Very low | 32.9 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | 54.4 | 150 | 140.2 | -60.2 | 0 | 0 | 0 | 0 | 125.6 | | |
| 749 | T | 29.5 | Very low | 33 | Very low | 134 Ų | 134 | 124 Ų | 124 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | 72.4 | 146.2 | 160.8 | 17.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 750 | V | 28.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | | | cis | -148 | 168.2 | 10.6 | -93.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 751 | L | 26.5 | Very low | 33.7 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | 80.1 | 104.3 | 145 | -126.8 | 64.2 | 0 | 0 | 0 | 123.8 | | |
| 752 | S | 26.9 | Very low | 33.8 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | | 39.2 | 115.2 | 127.1 | -46.3 | 0 | 0 | 0 | 0 | 124.5 | | |
| 753 | L | 29.9 | Very low | 33.9 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | trans | 58.3 | 140.8 | 138.8 | -88.7 | 78.2 | 0 | 0 | 0 | 119.8 | | |
| 754 | P | 38.6 | Very low | 33 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | | | | -134.6 | -166.8 | 55.8 | 40.4 | -23.8 | 0 | 0 | 0 | 114.9 | | |
| 755 | A | 27.9 | Very low | 32 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -115.5 | 139.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 756 | A | 29.9 | Very low | 32 | Very low | 99 Ų | 99 | 124 Ų | 124 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -160.1 | 137.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 757 | M | 29.1 | Very low | 31.9 | Very low | 188 Ų | 188 | 123.6 Ų | 123.6 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | | | trans | 3.7 | 154.8 | 163.4 | -52.2 | -169.4 | 75.7 | 0 | 0 | 123.8 | | |
| 758 | A | 27.5 | Very low | 31.1 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | 98 | 112.8 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 759 | V | 28.1 | Very low | 31.2 | Very low | 136 Ų | 136 | 125 Ų | 125 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | 64.6 | 119 | 135.5 | -173.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 760 | T | 31.3 | Very low | 31.2 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -32.8 | 157.4 | 158.5 | 50.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 761 | P | 44.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | cis | -140 | -121.8 | 44.2 | 30.2 | -1.7 | 0 | 0 | 0 | 117.7 | | |
| 762 | P | 43.2 | Very low | 31.1 | Very low | 103 Ų | 103 | 122 Ų | 122 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | | -134.3 | 166.3 | -112.1 | 44.7 | -27.3 | 0 | 0 | 0 | 118.6 | | |
| 763 | V | 29.2 | Very low | 31.1 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | 47.7 | 143.5 | 132.7 | 173.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 764 | P | 40.7 | Very low | 31.4 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | cis | -138 | 175.2 | 20.9 | 25.8 | -0.1 | 0 | 0 | 0 | 118.7 | | |
| 765 | A | 28.9 | Very low | 30.9 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | trans | 41 | 143.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 766 | S | 28.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | | -171.3 | 146.7 | 53.3 | -151.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 767 | M | 28.8 | Very low | 31.2 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | trans | 70.1 | 147.3 | 150 | -73.3 | -66.9 | 105.9 | 0 | 0 | 124.8 | | |
| 768 | A | 27.3 | Very low | 31.1 | Very low | 95 Ų | 95 | 117.2 Ų | 117.2 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 72.4 | 136.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 769 | N | 29.6 | Very low | 31.2 | Very low | 150 Ų | 150 | 117.7 Ų | 117.7 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | cis | -163.8 | 180 | -11.8 | -162.1 | 5.3 | 0 | 0 | 0 | 111.5 | | |
| 770 | T | 30.6 | Very low | 31.1 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | 88.6 | 150.1 | 165.3 | 72.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 771 | V | 27.6 | Very low | 31 | Very low | 126 Ų | 126 | 115.7 Ų | 115.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -140.2 | 144.1 | -167.7 | 163.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 772 | A | 25.6 | Very low | 30.2 | Very low | 95 Ų | 95 | 116.5 Ų | 116.5 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -143.5 | 147.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 773 | S | 25.9 | Very low | 29.4 | Very low | 113 Ų | 113 | 116.1 Ų | 116.1 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -72.6 | 167.1 | 175.4 | -33.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 774 | P | 36.6 | Very low | 29.2 | Very low | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | | | | -162.1 | -175.1 | 69.8 | 45 | -23.1 | 0 | 0 | 0 | 119.1 | | |
| 775 | T | 27.5 | Very low | 28.5 | Very low | 120 Ų | 120 | 115 Ų | 115 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | 82.4 | 149.9 | 147.6 | -51.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 776 | Q | 32.5 | Very low | 28.3 | Very low | 141 Ų | 141 | 115.5 Ų | 115.5 | 66% | 0.659 | 78% | 0.776 | S | S | * | * | | | trans | -91.6 | 178.8 | -179.9 | -59.7 | -176.7 | -29.9 | 0 | 0 | 113.4 | | |
| 777 | P | 32.3 | Very low | 28.2 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | | | | -138.5 | -174.4 | 104.7 | 40.1 | -29.6 | 0 | 0 | 0 | 114.2 | | |
| 778 | A | 27.5 | Very low | 28 | Very low | 82 Ų | 82 | 112.5 Ų | 112.5 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -137 | 151.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 779 | A | 29 | Very low | 28.1 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | | | trans | 62.9 | 156.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 780 | S | 25.8 | Very low | 27.8 | Very low | 112 Ų | 112 | 112.6 Ų | 112.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | cis | -156.8 | -173.7 | 5.6 | -153.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 781 | S | 28.2 | Very low | 27.9 | Very low | 101 Ų | 101 | 111.7 Ų | 111.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | 81.7 | 93.6 | 157.6 | -58.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 782 | T | 27.8 | Very low | 28.4 | Very low | 141 Ų | 141 | 112 Ų | 112 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | | | | 41.8 | 109.3 | 116.8 | -47.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 783 | A | 26.1 | Very low | 28.3 | Very low | 96 Ų | 96 | 114 Ų | 114 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | | | | -173.4 | 148.1 | 119.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 784 | A | 25 | Very low | 28.6 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | 32.6 | 109.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 785 | C | 27.6 | Very low | 28 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 91% | 0.912 | 77% | 0.774 | S | S | * | * | | | | 47.1 | 112.2 | 123.2 | -57.7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 786 | A | 25 | Very low | 28.1 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | | | trans | -148.1 | 163.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 787 | A | 25.6 | Very low | 27.8 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -79.5 | 164.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 788 | S | 25.1 | Very low | 27.4 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -159.9 | 168 | 52.6 | -71.6 | 0 | 0 | 0 | 0 | 114 | | |
| 789 | S | 29.1 | Very low | 27.1 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -119.8 | 130.5 | 172.9 | 165.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 790 | T | 24.3 | Very low | 27.2 | Very low | 137 Ų | 137 | 130 Ų | 130 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -140.4 | 110.3 | 171.8 | -6.5 | 0 | 0 | 0 | 0 | 111 | | |
| 791 | C | 32.2 | Very low | 27.2 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | | | trans | -94.9 | 152.1 | 157.5 | -56.8 | 0 | 0 | 0 | 0 | 108.4 | D793 | C791-D793 PolarHBondContact O-N 2.97Š|
| 792 | P | 37.3 | Very low | 28 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -80.5 | 112.4 | 162.3 | 31.5 | -29.8 | 0 | 0 | 0 | 110.4 | | |
| 793 | D | 24.2 | Very low | 28 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -96.4 | 170.1 | 151.4 | -157.4 | -131.8 | 0 | 0 | 0 | 106.1 | C791 | C791-D793 PolarHBondContact O-N 2.97Š|
| 794 | V | 32.3 | Very low | 27.9 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 62% | 0.624 | 78% | 0.777 | S | S | * | * | | | cis | -156.2 | 158.2 | 34.2 | -161 | 0 | 0 | 0 | 0 | 109 | I796 | V794-I796 VanDerWaalsContact CG1-N 3.34Š|
| 795 | K | 23.7 | Very low | 28 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -144.7 | 81.7 | 132.4 | -133.7 | 173.1 | -172.2 | 177.5 | 0 | 115.4 | | |
| 796 | I | 30.1 | Very low | 27.9 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 68% | 0.677 | 76% | 0.764 | S | S | * | * | | | trans | 57.5 | 111.6 | 139 | -55.5 | 168.7 | 0 | 0 | 0 | 117.1 | V794 | V794-I796 VanDerWaalsContact CG1-N 3.34Š|
| 797 | K | 26.2 | Very low | 28.1 | Very low | 195 Ų | 195 | 136 Ų | 136 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | | -172.1 | 105.9 | 97.6 | -172 | 170.2 | -178.2 | 176.7 | 0 | 112.1 | | |
| 798 | Q | 24.2 | Very low | 28.6 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | | | trans | -143.1 | 163.3 | 159.3 | -171.8 | 160.1 | -17.3 | 0 | 0 | 109.4 | | |
| 799 | E | 21.5 | Very low | 28.5 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -129.6 | 149.6 | -160.3 | -173.2 | -170.9 | 105 | 0 | 0 | 111 | | |
| 800 | V | 30.3 | Very low | 29.2 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | trans | 74.6 | 138 | 158 | 144.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 801 | E | 25.2 | Very low | 29.3 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | trans | -105.2 | -155.1 | 179.8 | -133.5 | -143.5 | 119.8 | 0 | 0 | 108.6 | | |
| 802 | P | 45 | Very low | 29.1 | Very low | 90 Ų | 90 | 140 Ų | 140 | 58% | 0.584 | 75% | 0.754 | S | S | * | * | | | cis | -131.2 | -174.4 | -13.8 | 37 | -17.5 | 0 | 0 | 0 | 114.9 | | |
| 803 | M | 27.6 | Very low | 28.6 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | trans | 66.1 | 152.4 | 149.8 | -101.2 | 61.9 | -179 | 0 | 0 | 118.9 | | |
| 804 | D | 24.9 | Very low | 28.8 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | | | cis | -165.7 | -177.6 | 1.7 | -153.5 | -155.9 | 0 | 0 | 0 | 108.3 | | |
| 805 | T | 26.2 | Very low | 28.6 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | cis | -152.7 | 158.3 | 2 | -31 | 0 | 0 | 0 | 0 | 111.7 | | |
| 806 | S | 26.3 | Very low | 28.7 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | 14.2 | 138.8 | 155.4 | 68.6 | 0 | 0 | 0 | 0 | 126.6 | | |
| 807 | Q | 29.5 | Very low | 28.6 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | -79.3 | -157.1 | 152.9 | -126.1 | -176.8 | -61.5 | 0 | 0 | 110.9 | D809 | Q807-D809 PolarHBondContact NE2-OD2 3.18Š|
| 808 | P | 35.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | cis | -138.5 | -168.1 | 7.2 | 36.8 | -11.7 | 0 | 0 | 0 | 118 | | |
| 809 | D | 22.9 | Very low | 29.5 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | | | trans | -64.8 | -159.5 | 179.6 | -53.2 | -103.7 | 0 | 0 | 0 | 115.6 | Q807 | Q807-D809 PolarHBondContact NE2-OD2 3.18Š|
| 810 | P | 44.6 | Very low | 29.7 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | cis | -146.1 | 169 | 0.8 | 43.8 | -23.1 | 0 | 0 | 0 | 120.9 | | |
| 811 | N | 27.2 | Very low | 29.5 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | 43.2 | 124.5 | 138.1 | -171.1 | 29.3 | 0 | 0 | 0 | 123.4 | | |
| 812 | V | 27.8 | Very low | 29.8 | Very low | 150 Ų | 150 | 121 Ų | 121 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | | | trans | -149.5 | 165.3 | 142.1 | -111.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 813 | N | 25.8 | Very low | 29 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -116.1 | 176.4 | -161.8 | -171.5 | 17 | 0 | 0 | 0 | 113.8 | | |
| 814 | L | 28.3 | Very low | 29 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | 90.4 | 94.3 | 162.5 | -55.7 | 177.2 | 0 | 0 | 0 | 119.5 | | |
| 815 | S | 27.5 | Very low | 29 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | 6.5 | 122.8 | 135.2 | -168.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 816 | S | 27.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -153.6 | 150.9 | 137.8 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 817 | A | 27 | Very low | 29.3 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -163.1 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 818 | P | 41.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | cis | -127.2 | -161.3 | -7.6 | 39.9 | -22.7 | 0 | 0 | 0 | 112.4 | | |
| 819 | A | 26.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | | | trans | 72.5 | 152.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 820 | G | 25.7 | Very low | 29.6 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | cis | 179.1 | 148.3 | -8.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 821 | S | 26.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | 44 | 91.3 | 153.8 | 56.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 822 | T | 32.7 | Very low | 28.9 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | | 39.5 | 112.8 | 120.1 | 55.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 823 | Q | 27.8 | Very low | 29.2 | Very low | 188 Ų | 188 | 120.5 Ų | 120.5 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | | -169.2 | 137.9 | 121.8 | -98.3 | 159.7 | 108.4 | 0 | 0 | 107.5 | | |
| 824 | A | 26.2 | Very low | 29.2 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | | 60.4 | 128.8 | 74 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 825 | N | 26.7 | Very low | 29.2 | Very low | 143 Ų | 143 | 121.7 Ų | 121.7 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | | | cis | -156 | 169.1 | 7.8 | -165.4 | 14.7 | 0 | 0 | 0 | 112.5 | | |
| 826 | T | 31.4 | Very low | 29.6 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | 54.3 | 111.8 | 158.2 | 40.5 | 0 | 0 | 0 | 0 | 121 | | |
| 827 | L | 26.6 | Very low | 30.3 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | -162.9 | 132.7 | 130.1 | -108.8 | 171.6 | 0 | 0 | 0 | 111.8 | | |
| 828 | N | 26.8 | Very low | 30.4 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | 24.4 | 147.2 | 164.1 | -72.6 | 10.7 | 0 | 0 | 0 | 124.9 | | |
| 829 | P | 35.7 | Very low | 30 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -80.1 | 166.6 | 152.1 | 37.5 | -34.6 | 0 | 0 | 0 | 111.8 | | |
| 830 | P | 30.8 | Very low | 30.2 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | | -128.8 | 149.8 | 117.4 | 36.6 | -32 | 0 | 0 | 0 | 114 | | |
| 831 | A | 27.8 | Very low | 31 | Very low | 96 Ų | 96 | 124 Ų | 124 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 44.4 | 107.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 832 | A | 29.8 | Very low | 31.8 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | trans | 59.3 | 97.3 | 133.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 833 | A | 34 | Very low | 32.4 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | trans | -161.6 | 65.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 834 | E | 25.2 | Very low | 33.5 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -69.3 | 147 | 170 | -120 | -172.9 | 129.6 | 0 | 0 | 110.5 | | |
| 835 | L | 29.7 | Very low | 34.2 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 70% | 0.696 | 81% | 0.806 | S | S | * | * | | | cis | -158.4 | 134.9 | 32.3 | -97 | 162.9 | 0 | 0 | 0 | 112.8 | | |
| 836 | V | 34.4 | Very low | 35.5 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | | | | 49.1 | 143.5 | 125 | 175.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 837 | P | 44 | Very low | 35.9 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | trans | -114.7 | -177.9 | -167.6 | 43.8 | -34.1 | 0 | 0 | 0 | 116.4 | | |
| 838 | G | 27.7 | Very low | 36.6 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | | | trans | 154.9 | 131.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 839 | A | 33.4 | Very low | 37.2 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | | | trans | 60.4 | 123.2 | 134.8 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 840 | S | 31.7 | Very low | 37.2 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | | | | 44.6 | 104.5 | 127 | -164.4 | 0 | 0 | 0 | 0 | 121.6 | R842 | S840-R842 PolarHBondContact O-N 2.78Š|
| 841 | P | 41.6 | Very low | 37.5 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | | | trans | -83.1 | 90 | 174.1 | -11.5 | 29.3 | 0 | 0 | 0 | 114.7 | | |
| 842 | R | 43.8 | Very low | 37.8 | Very low | 229 Ų | 229 | 150.9 Ų | 150.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -137.7 | 93.7 | 165.4 | -134.6 | -178.1 | -163.3 | -144.8 | 8.1 | 115.4 | S840 | S840-R842 PolarHBondContact O-N 2.78Š|
| 843 | K | 44.9 | Very low | 38 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | | | trans | 55.5 | 89.9 | 155.8 | -63.1 | -173.9 | 178.2 | -178.7 | 0 | 118.7 | | |
| 844 | K | 51.6 | Low | 38.1 | Very low | 209 Ų | 209 | 151.5 Ų | 151.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | 14.7 | 92.1 | 144.3 | -61.1 | -174.3 | -179.6 | -174.7 | 0 | 117.4 | | |
| 845 | P | 40.5 | Very low | 39.1 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 150.8 | 151 | 30.2 | -33 | 0 | 0 | 0 | 110.2 | | |
| 846 | R | 54.1 | Low | 39.2 | Very low | 234 Ų | 234 | 152.7 Ų | 152.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 133.5 | 177.5 | 179.6 | 176.8 | 179.4 | 166 | -1.3 | 109.4 | Q848 | R846-Q848 PolarHBondContact O-N 3.02Å; R846-Q848 VanDerWaalsContact O-N 3.1Å |
| 847 | K | 40.9 | Very low | 39.2 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 116.5 | 172.6 | -87.3 | -165 | 172.1 | -166.3 | 0 | 110.9 | | |
| 848 | Q | 40.6 | Very low | 38.7 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | trans | -136.2 | 104 | 137 | -76.7 | -169.5 | -20.9 | 0 | 0 | 107.2 | R846 | R846-Q848 PolarHBondContact O-N 3.02Å; R846-Q848 VanDerWaalsContact O-N 3.1Å |
| 849 | Q | 38.6 | Very low | 38.9 | Very low | 157 Ų | 157 | 156.8 Ų | 156.8 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -103.2 | 122.1 | 153.7 | -83.8 | 175.4 | -61.4 | 0 | 0 | 105.9 | | |
| 850 | H | 35.9 | Very low | 39.1 | Very low | 178 Ų | 178 | 157.3 Ų | 157.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -137.6 | 94.7 | 136.6 | -108.8 | -86.4 | 0 | 0 | 0 | 105.2 | | |
| 851 | V | 36.3 | Very low | 39.5 | Very low | 131 Ų | 131 | 158.8 Ų | 158.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -74.6 | 127.8 | 161.6 | 176.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 852 | I | 36.1 | Very low | 39.6 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | | | trans | -128.5 | 114.7 | 170.7 | -60.8 | 174.6 | 0 | 0 | 0 | 105.4 | | |
| 853 | S | 33.3 | Very low | 39 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | 173.3 | 69.2 | 152.1 | -77.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 854 | T | 36.4 | Very low | 38.4 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | -137.8 | 85.5 | 149.5 | 51.1 | 0 | 0 | 0 | 0 | 101.7 | | |
| 855 | E | 45 | Very low | 37.5 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | | 81.1 | 158.3 | 88.2 | 82.2 | -156.6 | 121.8 | 0 | 0 | 111.7 | | |
| 856 | E | 31.7 | Very low | 37.3 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | 54.7 | 139.5 | 179.2 | 76.1 | -164.5 | 158.8 | 0 | 0 | 121.2 | | |
| 857 | S | 34.1 | Very low | 36.5 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | 54.3 | 159.2 | 160 | -78 | 0 | 0 | 0 | 0 | 121 | | |
| 858 | E | 33.8 | Very low | 36.4 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | cis | -162.5 | 169.9 | -27.9 | -163.7 | 155.3 | 157.6 | 0 | 0 | 109.7 | | |
| 859 | M | 32.2 | Very low | 36.1 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | trans | -74.3 | 177.8 | -164.7 | -42.5 | -178.3 | -158.3 | 0 | 0 | 116.2 | | |
| 860 | V | 38.8 | Very low | 35.8 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | trans | 62.8 | 158.8 | 153.3 | -70.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 861 | E | 38.6 | Very low | 36.2 | Very low | 137 Ų | 137 | 138 Ų | 138 | 64% | 0.64 | 76% | 0.759 | S | S | * | * | | | cis | -150.2 | -152.7 | -42.4 | -133.4 | 160 | -144.8 | 0 | 0 | 109.7 | R903 | E861-R903 IonicContact OE1-CZ 3.27Å; E861-R903 VanDerWaalsContact OE1-CZ 3.27Å; E861-R903 IonicContact OE1-NE 3.04Å; E861-R903 PolarHBondContact OE1-NE 3.24Å; E861-R903 IonicContact OE1-NH2 2.67Å; E861-R903 PolarHBondContact OE1-NH2 2.99Å |
| 862 | T | 43.5 | Very low | 36 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | -101.6 | 176.2 | -162.5 | 55.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 863 | N | 32 | Very low | 35.8 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | 87.4 | 159.3 | 167.6 | -44.1 | -47.4 | 0 | 0 | 0 | 114.4 | | |
| 864 | S | 32.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | cis | -147.4 | 163.6 | 19.7 | -167.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 865 | T | 33.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | trans | -33.6 | 144.2 | 160.2 | -49.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 866 | D | 34.8 | Very low | 35.9 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | | -164.2 | 172.2 | 116 | -151.2 | 11.2 | 0 | 0 | 0 | 114.1 | | |
| 867 | E | 38.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -101.5 | -171.2 | -170.8 | -79.5 | -127.9 | 74.4 | 0 | 0 | 116.5 | | |
| 868 | E | 37.5 | Very low | 35.7 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | 77.9 | 85.9 | 154.8 | -149.1 | 168.2 | 145.1 | 0 | 0 | 122.6 | | |
| 869 | K | 35.9 | Very low | 35.7 | Very low | 185 Ų | 185 | 138 Ų | 138 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | | 43.3 | 75.9 | 112.1 | -164.3 | -163.9 | 170.7 | -169.2 | 0 | 120.6 | | |
| 870 | A | 31.7 | Very low | 35.6 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 63.9 | -174.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 871 | P | 44.4 | Very low | 35.6 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | cis | -119.6 | 152.7 | -28.8 | 36.2 | -22.9 | 0 | 0 | 0 | 113.1 | | |
| 872 | G | 32 | Very low | 36.1 | Very low | 84 Ų | 84 | 146.9 Ų | 146.9 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | 165.4 | 150.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 873 | R | 32 | Very low | 35.8 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | -118.1 | 164.8 | 163.5 | -106 | -171.4 | 174.4 | -125 | 1.7 | 107.1 | | |
| 874 | P | 49.3 | Very low | 36.6 | Very low | 99 Ų | 99 | 147 Ų | 147 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | | | cis | -128.8 | -165.9 | -36.4 | 39.9 | -24.2 | 0 | 0 | 0 | 109.6 | | |
| 875 | I | 36.2 | Very low | 37.3 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | | | | -178.6 | 157.9 | 129.6 | -94.9 | 154.8 | 0 | 0 | 0 | 109.6 | | |
| 876 | S | 31.5 | Very low | 38.1 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -91.2 | 135.8 | 177.3 | 171 | 0 | 0 | 0 | 0 | 111.2 | | |
| 877 | G | 30.7 | Very low | 38.8 | Very low | 75 Ų | 75 | 149.7 Ų | 149.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -164.9 | 129.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 878 | R | 31.3 | Very low | 39.6 | Very low | 248 Ų | 248 | 146.4 Ų | 146.4 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | | | trans | -99.7 | 149.3 | 167 | -92.3 | -174.8 | 170.2 | -162.3 | 2.3 | 108.9 | | |
| 879 | A | 33.7 | Very low | 40.4 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | trans | 64.9 | 165.3 | 161 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 880 | E | 29.9 | Very low | 41.5 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | | | cis | -128.3 | -171 | -2.6 | -161.9 | 150.5 | 146.6 | 0 | 0 | 112.2 | | |
| 881 | R | 39.3 | Very low | 43.2 | Very low | 203 Ų | 203 | 135.7 Ų | 135.7 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | | | trans | -64.1 | 166.3 | -170.4 | -60.4 | 170.7 | 160.1 | -80.5 | 6.3 | 115.1 | | |
| 882 | R | 48.6 | Very low | 44.1 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | | | trans | 72.3 | 95.9 | 148 | -68.9 | -114.7 | -168.1 | -151.6 | 5.9 | 117 | | |
| 883 | E | 35.8 | Very low | 45.7 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | | | trans | -125.1 | 132.4 | 132.3 | -167.5 | 74.7 | -106.3 | 0 | 0 | 105.9 | | |
| 884 | S | 49 | Very low | 47.1 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | | | trans | -154 | 91.2 | -179.9 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 885 | P | 47.8 | Very low | 47.7 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | | | trans | -115.5 | 159.7 | 176.5 | 28.2 | -11.1 | 0 | 0 | 0 | 113.7 | | |
| 886 | P | 50.2 | Low | 49.2 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 66% | 0.664 | S | S | * | * | | | cis | -124 | 129.9 | -16.3 | 33.9 | -17.2 | 0 | 0 | 0 | 113.4 | | |
| 887 | R | 50.1 | Low | 50.7 | Low | 222 Ų | 222 | 132.1 Ų | 132.1 | 84% | 0.838 | 65% | 0.652 | S | S | * | * | | | trans | 42.5 | 105.2 | 134.4 | -156.7 | 163.4 | -171.2 | 152.6 | -3.4 | 117.3 | Y889 | R887-Y889 PolarHBondContact O-N 3.06Å; R887-Y889 VanDerWaalsContact O-N 3.09Å |
| 888 | E | 54.5 | Low | 52.5 | Low | 110 Ų | 110 | 133.4 Ų | 133.4 | 51% | 0.514 | 64% | 0.644 | S | S | . | * | | | trans | -50.6 | 116.8 | 144.7 | -68 | -175.4 | 150.5 | 0 | 0 | 107.4 | V890 R896 | E888-V890 PolarHBondContact O-N 3.29Å; E888-R896 IonicContact OE1-NH1 3.66Å; E888-R896 PolarHBondContact OE1-NH1 3Å; E888-R896 WeakPolarHBondContact OE2-CD 3.5Å; E888-R896 IonicContact OE2-CZ 3.18Å; E888-R896 IonicContact OE2-NE 3.79Å; E888-R896 IonicContact OE2-NH1 3.5Å; E888-R896 PolarHBondContact OE2-NH1 2.95Å |
| 889 | Y | 55 | Low | 53.7 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 50% | 0.502 | 64% | 0.64 | S | S | . | * | | | trans | -78.5 | 107.7 | 167.8 | -172.9 | -105.1 | 0 | 0 | 0 | 107.4 | R887 D891 E892 | R887-Y889 PolarHBondContact O-N 3.06Å; R887-Y889 VanDerWaalsContact O-N 3.09Å; Y889-D891 HydrophobicContact CD1-CB 4.49Å; Y889-D891 HydrophobicContact CE1-CB 3.83Å; Y889-E892 PolarHBondContact OH-OE1 2.72Å |
| 890 | V | 58.9 | Low | 54.6 | Low | 67 Ų | 67 | 129.9 Ų | 129.9 | 41% | 0.406 | 64% | 0.643 | S | S | . | * | B | Isolated β-bridge | trans | -79 | 129.8 | 154.7 | -156.1 | 0 | 0 | 0 | 0 | 105.9 | E888 G894 V895 R896 | E888-V890 PolarHBondContact O-N 3.29Å; V890-G894 VanDerWaalsContact CG1-CA 3.48Å; V890-V895 WeakPolarHBondContact CA-O 3.35Å; V890-R896 HydrophobicContact CB-CG 4.24Å; V890-R896 HydrophobicContact CG1-CG 4.1Å; V890-R896 HydrophobicContact CG2-CG 3.8Å |
| 891 | D | 66.6 | Low | 56 | Low | 30 Ų | 30 | 132.6 Ų | 132.6 | 16% | 0.16 | 65% | 0.646 | C | S | . | * | | | trans | -71.9 | 170.5 | 166 | 55.9 | 24 | 0 | 0 | 0 | 111.3 | Y889 E893 G894 V895 Y897 | Y889-D891 HydrophobicContact CD1-CB 4.49Å; Y889-D891 HydrophobicContact CE1-CB 3.83Å; D891-E893 PolarHBondContact O-N 3.1Å; D891-G894 PolarHBondContact O-N 3.46Å; D891-G894 PolarHBondContact OD1-N 3.5Å; D891-G894 VanDerWaalsContact OD1-N 3.09Å; D891-V895 PolarHBondContact N-O 2.72Å; D891-V895 VanDerWaalsContact N-O 3.08Å; D891-V895 WeakPolarHBondContact OD1-CA 3.33Å; D891-V895 WeakPolarHBondContact OD1-CB 3.26Å; D891-V895 PolarHBondContact OD1-N 2.86Å; D891-Y897 VanDerWaalsContact OD2-CE2 3.26Å; D891-Y897 WeakPolarHBondContact OD2-CE2 3.44Å; D891-Y897 PolarHBondContact OD2-OH 2.8Å; D891-Y897 VanDerWaalsContact OD2-OH 3.07Å |
| 892 | E | 63.6 | Low | 56.8 | Low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -24.1 | -176.5 | -38 | -59.2 | 128.8 | 0 | 0 | 111.4 | Y889 | Y889-E892 PolarHBondContact OH-OE1 2.72Š|
| 893 | E | 66.2 | Low | 57 | Low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.7 | 175 | -68.2 | 74.4 | -165.4 | 0 | 0 | 114.8 | D891 | D891-E893 PolarHBondContact O-N 3.1Š|
| 894 | G | 60.8 | Low | 57.8 | Low | 51 Ų | 51 | 123.8 Ų | 123.8 | 53% | 0.526 | 64% | 0.635 | S | S | . | * | S | Bend | trans | 99.3 | 7.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | V890 D891 | V890-G894 VanDerWaalsContact CG1-CA 3.48Å; D891-G894 PolarHBondContact O-N 3.46Å; D891-G894 PolarHBondContact OD1-N 3.5Å; D891-G894 VanDerWaalsContact OD1-N 3.09Å |
| 895 | V | 61.3 | Low | 58.1 | Low | 69 Ų | 69 | 125.7 Ų | 125.7 | 42% | 0.418 | 65% | 0.646 | S | S | . | * | | | trans | -91.1 | 135.9 | -177.4 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | V890 D891 Y897 | V890-V895 WeakPolarHBondContact CA-O 3.35Å; D891-V895 PolarHBondContact N-O 2.72Å; D891-V895 VanDerWaalsContact N-O 3.08Å; D891-V895 WeakPolarHBondContact OD1-CA 3.33Å; D891-V895 WeakPolarHBondContact OD1-CB 3.26Å; D891-V895 PolarHBondContact OD1-N 2.86Å; V895-Y897 HydrophobicContact CB-CE2 4.1Å; V895-Y897 HydrophobicContact CG1-CE1 4.17Å; V895-Y897 HydrophobicContact CG1-CE2 3.95Å |
| 896 | R | 67.6 | Low | 58.4 | Low | 147 Ų | 147 | 128.4 Ų | 128.4 | 56% | 0.555 | 65% | 0.653 | S | S | * | * | B | Isolated β-bridge | trans | -109.2 | 127.6 | 179.2 | -73.4 | -171 | -74.8 | 153 | 2 | 111.9 | E888 V890 | E888-R896 IonicContact OE1-NH1 3.66Å; E888-R896 PolarHBondContact OE1-NH1 3Å; E888-R896 WeakPolarHBondContact OE2-CD 3.5Å; E888-R896 IonicContact OE2-CZ 3.18Å; E888-R896 IonicContact OE2-NE 3.79Å; E888-R896 IonicContact OE2-NH1 3.5Å; E888-R896 PolarHBondContact OE2-NH1 2.95Å; V890-R896 HydrophobicContact CB-CG 4.24Å; V890-R896 HydrophobicContact CG1-CG 4.1Å; V890-R896 HydrophobicContact CG2-CG 3.8Å |
| 897 | Y | 63.3 | Low | 58.8 | Low | 150 Ų | 150 | 127.2 Ų | 127.2 | 59% | 0.588 | 64% | 0.644 | S | S | * | * | | | trans | -106 | 122.9 | -179.4 | -58.1 | -89.5 | 0 | 0 | 0 | 111.7 | D891 V895 | D891-Y897 VanDerWaalsContact OD2-CE2 3.26Å; D891-Y897 WeakPolarHBondContact OD2-CE2 3.44Å; D891-Y897 PolarHBondContact OD2-OH 2.8Å; D891-Y897 VanDerWaalsContact OD2-OH 3.07Å; V895-Y897 HydrophobicContact CB-CE2 4.1Å; V895-Y897 HydrophobicContact CG1-CE1 4.17Å; V895-Y897 HydrophobicContact CG1-CE2 3.95Å |
| 898 | V | 68.7 | Low | 59.3 | Low | 103 Ų | 103 | 123.8 Ų | 123.8 | 62% | 0.624 | 64% | 0.641 | S | S | * | * | | | trans | -121.7 | 114.8 | 178.3 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | V900 | V898-V900 PolarHBondContact O-N 3.27Š|
| 899 | P | 56.1 | Low | 59.7 | Low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | | | trans | -71.4 | 112.2 | 180 | -20.2 | 33.2 | 0 | 0 | 0 | 112.8 | | |
| 900 | V | 54.2 | Low | 59.5 | Low | 135 Ų | 135 | 131.2 Ų | 131.2 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -91 | 127.7 | 178.4 | -177.4 | 0 | 0 | 0 | 0 | 111 | V898 | V898-V900 PolarHBondContact O-N 3.27Š|
| 901 | R | 58.3 | Low | 59.3 | Low | 229 Ų | 229 | 135.2 Ų | 135.2 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 126 | -179.3 | -163.5 | 172 | -170.4 | 153.5 | 3.4 | 111.8 | | |
| 902 | P | 55.6 | Low | 58.7 | Low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 144.4 | 177.7 | -22.9 | 34 | 0 | 0 | 0 | 113.4 | | |
| 903 | R | 54.1 | Low | 58.3 | Low | 167 Ų | 167 | 144.8 Ų | 144.8 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 148.5 | 177.6 | -88.7 | -176.1 | 172 | 161.6 | -3.9 | 113.2 | E861 | E861-R903 IonicContact OE1-CZ 3.27Å; E861-R903 VanDerWaalsContact OE1-CZ 3.27Å; E861-R903 IonicContact OE1-NE 3.04Å; E861-R903 PolarHBondContact OE1-NE 3.24Å; E861-R903 IonicContact OE1-NH2 2.67Å; E861-R903 PolarHBondContact OE1-NH2 2.99Å |
| 904 | P | 51.3 | Low | 57.8 | Low | 111 Ų | 111 | 139.7 Ų | 139.7 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 157 | 177.5 | -18.5 | 32.7 | 0 | 0 | 0 | 114.4 | | |
| 905 | P | 55.1 | Low | 57.7 | Low | 127 Ų | 127 | 141.7 Ų | 141.7 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 144.7 | -179.8 | 30.8 | -35.5 | 0 | 0 | 0 | 113.3 | | |
| 906 | I | 55.2 | Low | 57.4 | Low | 160 Ų | 160 | 147.4 Ų | 147.4 | 82% | 0.821 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 135.1 | -177.4 | -58 | 171.6 | 0 | 0 | 0 | 110.1 | | |
| 907 | T | 58.7 | Low | 57 | Low | 92 Ų | 92 | 149.8 Ų | 149.8 | 56% | 0.564 | 73% | 0.728 | S | S | * | * | | | trans | -115.8 | 135.7 | 172.1 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 908 | L | 60.9 | Low | 56.9 | Low | 150 Ų | 150 | 144.9 Ų | 144.9 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -75.7 | -28 | -171.8 | -64.2 | 172.5 | 0 | 0 | 0 | 113.8 | | |
| 909 | L | 61.3 | Low | 56.4 | Low | 172 Ų | 172 | 142.8 Ų | 142.8 | 90% | 0.901 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -26.2 | -159.3 | -165.3 | 62.5 | 0 | 0 | 0 | 115.2 | | |
| 910 | R | 52.7 | Low | 56.4 | Low | 222 Ų | 222 | 147.1 Ų | 147.1 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -10.9 | 179.6 | -75.2 | -169.6 | 174.2 | -170.1 | -0.5 | 114.7 | | |
| 911 | H | 54.3 | Low | 56.7 | Low | 151 Ų | 151 | 148.7 Ų | 148.7 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | 17.2 | -166.2 | -62.7 | -32.9 | 0 | 0 | 0 | 115.6 | R913 | H911-R913 PolarHBondContact O-N 3.44Š|
| 912 | Y | 52.8 | Low | 57.2 | Low | 159 Ų | 159 | 144.5 Ų | 144.5 | 62% | 0.624 | 70% | 0.701 | S | S | * | * | | | trans | -73 | 62.1 | 166.3 | -157 | -91.2 | 0 | 0 | 0 | 112.6 | N914 | Y912-N914 VanDerWaalsContact C-N 3.3Å; Y912-N914 HydrophobicContact CD1-CB 4.36Å; Y912-N914 HydrophobicContact CE1-CB 3.75Å; Y912-N914 WeakPolarHBondContact CE1-OD1 3.47Å; Y912-N914 PolarHBondContact O-N 3Å; Y912-N914 VanDerWaalsContact O-N 3.16Å; Y912-N914 PolarHBondContact OH-OD1 3.3Å |
| 913 | R | 56.1 | Low | 58 | Low | 233 Ų | 233 | 144.5 Ų | 144.5 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | | | trans | -82.8 | 80.6 | 166 | -170.9 | -176.8 | -166.6 | -178.5 | 5.9 | 107.5 | H911 P915 | H911-R913 PolarHBondContact O-N 3.44Å; R913-P915 WeakPolarHBondContact O-CD 3.35Å |
| 914 | N | 55.9 | Low | 58.7 | Low | 51 Ų | 51 | 142.1 Ų | 142.1 | 27% | 0.273 | 69% | 0.685 | S | S | . | * | | | trans | -30.9 | 100.4 | -174.1 | -161.4 | 31.9 | 0 | 0 | 0 | 112.3 | Y912 Q924 | Y912-N914 VanDerWaalsContact C-N 3.3Å; Y912-N914 HydrophobicContact CD1-CB 4.36Å; Y912-N914 HydrophobicContact CE1-CB 3.75Å; Y912-N914 WeakPolarHBondContact CE1-OD1 3.47Å; Y912-N914 PolarHBondContact O-N 3Å; Y912-N914 VanDerWaalsContact O-N 3.16Å; Y912-N914 PolarHBondContact OH-OD1 3.3Å; N914-Q924 PolarHBondContact ND2-OE1 3.03Å |
| 915 | P | 57.6 | Low | 59.9 | Low | 94 Ų | 94 | 145.6 Ų | 145.6 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | | | trans | -78 | -30.1 | -163.7 | 28.5 | -34.5 | 0 | 0 | 0 | 111.9 | R913 K917 | R913-P915 WeakPolarHBondContact O-CD 3.35Å; P915-K917 PolarHBondContact O-N 2.81Å |
| 916 | W | 56.3 | Low | 60.2 | Low | 188 Ų | 188 | 148 Ų | 148 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -63.4 | 115 | 165.2 | -12.3 | 100.4 | 0 | 0 | 0 | 107.7 | A918 | W916-A918 PolarHBondContact O-N 2.84Š|
| 917 | K | 59.2 | Low | 61 | Low | 197 Ų | 197 | 144.1 Ų | 144.1 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -51 | 121 | 163.2 | -67.2 | 179.2 | -175.2 | -67.3 | 0 | 106.7 | P915 A919 | P915-K917 PolarHBondContact O-N 2.81Å; K917-A919 PolarHBondContact O-N 3.06Å |
| 918 | A | 61 | Low | 61.6 | Low | 47 Ų | 47 | 143.1 Ų | 143.1 | 39% | 0.388 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -47.9 | 121.3 | 174 | 0 | 0 | 0 | 0 | 0 | 107.9 | W916 H922 | W916-A918 PolarHBondContact O-N 2.84Å; A918-H922 HydrophobicContact CB-CB 4.21Å |
| 919 | A | 58.4 | Low | 62 | Low | 59 Ų | 59 | 140.9 Ų | 140.9 | 49% | 0.488 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 146.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | K917 H921 H922 | K917-A919 PolarHBondContact O-N 3.06Å; A919-H921 PolarHBondContact O-N 3.29Å; A919-H922 WeakPolarHBondContact O-CB 3.41Å; A919-H922 PolarHBondContact O-N 2.95Å |
| 920 | Y | 55.6 | Low | 62.7 | Low | 222 Ų | 222 | 142.9 Ų | 142.9 | 87% | 0.871 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.1 | 123.1 | 175.1 | -75.6 | -91.4 | 0 | 0 | 0 | 108.8 | | |
| 921 | H | 60 | Low | 63.7 | Low | 169 Ų | 169 | 138.9 Ų | 138.9 | 78% | 0.782 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84 | 6.8 | -172.8 | -37 | -55.7 | 0 | 0 | 0 | 118.4 | A919 | A919-H921 PolarHBondContact O-N 3.29Š|
| 922 | H | 68.1 | Low | 64.7 | Low | 141 Ų | 141 | 140.5 Ų | 140.5 | 65% | 0.653 | 64% | 0.644 | S | S | * | * | | | trans | -91 | 126.1 | 163.3 | -82.9 | 63.2 | 0 | 0 | 0 | 111.2 | A918 A919 | A918-H922 HydrophobicContact CB-CB 4.21Å; A919-H922 WeakPolarHBondContact O-CB 3.41Å; A919-H922 PolarHBondContact O-N 2.95Å |
| 923 | F | 72.3 | Confident | 65.3 | Low | 123 Ų | 123 | 141.3 Ų | 141.3 | 54% | 0.539 | 65% | 0.653 | S | S | . | * | | | trans | -93.9 | 129.5 | 176.8 | -56.3 | -77.5 | 0 | 0 | 0 | 109.3 | D928 I929 | F923-D928 HydrophobicContact CB-CB 4.1Å; F923-D928 HydrophobicContact CD1-CB 3.73Å; F923-D928 WeakPolarHBondContact CD1-O 3.44Å; F923-D928 WeakPolarHBondContact CE1-O 3.14Å; F923-D928 HydrophobicContact CG-CB 4.41Å; F923-I929 HydrophobicContact CB-CD1 4.13Å; F923-I929 HydrophobicContact CB-CG1 3.72Å; F923-I929 HydrophobicContact CD1-CG1 3.7Å; F923-I929 HydrophobicContact CD2-CD1 3.95Å; F923-I929 HydrophobicContact CD2-CG1 3.65Å; F923-I929 HydrophobicContact CE1-CG1 4.16Å; F923-I929 HydrophobicContact CE2-CG1 4.14Å; F923-I929 HydrophobicContact CG-CD1 4.05Å; F923-I929 HydrophobicContact CG-CG1 3.4Å; F923-I929 HydrophobicContact CZ-CG1 4.37Å |
| 924 | Q | 70.7 | Confident | 65.5 | Low | 117 Ų | 117 | 138.8 Ų | 138.8 | 55% | 0.547 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -97.8 | -20.8 | -175.2 | -161.8 | 77.2 | 79.9 | 0 | 0 | 111.8 | N914 D928 | N914-Q924 PolarHBondContact ND2-OE1 3.03Å; Q924-D928 PolarHBondContact N-OD2 3.42Å |
| 925 | R | 75.7 | Confident | 66.4 | Low | 183 Ų | 183 | 143.8 Ų | 143.8 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -139.3 | 155.7 | 177.8 | -57.7 | 178.4 | 178.8 | -138.2 | -4.1 | 110.5 | S927 D928 | R925-S927 VanDerWaalsContact CB-OG 3.26Å; R925-S927 WeakPolarHBondContact CB-OG 3.46Å; R925-S927 PolarHBondContact O-N 3.16Å; R925-D928 PolarHBondContact N-OD2 2.7Å; R925-D928 WeakPolarHBondContact O-CB 3.45Å; R925-D928 VanDerWaalsContact O-CG 3.28Å; R925-D928 PolarHBondContact O-N 3.16Å |
| 926 | Y | 62.1 | Low | 66.9 | Low | 178 Ų | 178 | 148.4 Ų | 148.4 | 70% | 0.698 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -57.9 | -29.1 | 174.3 | -62.2 | -77.7 | 0 | 0 | 0 | 113.3 | S422 D928 I929 | S422-Y926 WeakPolarHBondContact O-CE1 3.27Å; Y926-D928 PolarHBondContact O-N 3.14Å; Y926-I929 PolarHBondContact O-N 3.1Å |
| 927 | S | 71.4 | Confident | 67.5 | Low | 79 Ų | 79 | 143.4 Ų | 143.4 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -60.4 | -26.1 | 173.5 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | R925 I929 | R925-S927 VanDerWaalsContact CB-OG 3.26Å; R925-S927 WeakPolarHBondContact CB-OG 3.46Å; R925-S927 PolarHBondContact O-N 3.16Å; S927-I929 VanDerWaalsContact C-N 3.3Å |
| 928 | D | 72 | Confident | 68.8 | Low | 70 Ų | 70 | 136.6 Ų | 136.6 | 37% | 0.374 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -79.2 | -24.3 | -173.8 | -46.1 | -14 | 0 | 0 | 0 | 110.1 | F923 Q924 R925 Y926 R930 | F923-D928 HydrophobicContact CB-CB 4.1Å; F923-D928 HydrophobicContact CD1-CB 3.73Å; F923-D928 WeakPolarHBondContact CD1-O 3.44Å; F923-D928 WeakPolarHBondContact CE1-O 3.14Å; F923-D928 HydrophobicContact CG-CB 4.41Å; Q924-D928 PolarHBondContact N-OD2 3.42Å; R925-D928 PolarHBondContact N-OD2 2.7Å; R925-D928 WeakPolarHBondContact O-CB 3.45Å; R925-D928 VanDerWaalsContact O-CG 3.28Å; R925-D928 PolarHBondContact O-N 3.16Å; Y926-D928 PolarHBondContact O-N 3.14Å; D928-R930 VanDerWaalsContact C-N 3.31Å; D928-R930 PolarHBondContact O-N 3.26Å |
| 929 | I | 68.3 | Low | 70 | Confident | 104 Ų | 104 | 137.2 Ų | 137.2 | 53% | 0.533 | 65% | 0.647 | S | S | . | * | | | trans | -87.2 | 70.7 | 171.1 | -50 | 177.3 | 0 | 0 | 0 | 108.9 | F923 Y926 S927 | F923-I929 HydrophobicContact CB-CD1 4.13Å; F923-I929 HydrophobicContact CB-CG1 3.72Å; F923-I929 HydrophobicContact CD1-CG1 3.7Å; F923-I929 HydrophobicContact CD2-CD1 3.95Å; F923-I929 HydrophobicContact CD2-CG1 3.65Å; F923-I929 HydrophobicContact CE1-CG1 4.16Å; F923-I929 HydrophobicContact CE2-CG1 4.14Å; F923-I929 HydrophobicContact CG-CD1 4.05Å; F923-I929 HydrophobicContact CG-CG1 3.4Å; F923-I929 HydrophobicContact CZ-CG1 4.37Å; Y926-I929 PolarHBondContact O-N 3.1Å; S927-I929 VanDerWaalsContact C-N 3.3Å |
| 930 | R | 77.3 | Confident | 71.4 | Confident | 214 Ų | 214 | 137.5 Ų | 137.5 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | | | trans | -71.9 | 135.4 | 161 | -65.5 | -178.8 | 65.5 | 170.5 | -0.4 | 108.2 | D928 K932 | D928-R930 VanDerWaalsContact C-N 3.31Å; D928-R930 PolarHBondContact O-N 3.26Å; R930-K932 PolarHBondContact O-N 3.19Å |
| 931 | V | 73.4 | Confident | 73 | Confident | 138 Ų | 138 | 129.7 Ų | 129.7 | 84% | 0.836 | 61% | 0.612 | S | S | * | * | | | trans | -55 | 114.9 | 165.3 | 175.4 | 0 | 0 | 0 | 0 | 106.7 | E933 | V931-E933 PolarHBondContact O-N 3.28Š|
| 932 | K | 74.1 | Confident | 74.3 | Confident | 185 Ų | 185 | 125.4 Ų | 125.4 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | | | trans | -65.4 | 104.4 | 175.6 | 178.5 | -172.2 | 174.8 | -168.9 | 0 | 106.7 | R930 E934 | R930-K932 PolarHBondContact O-N 3.19Å; K932-E934 PolarHBondContact O-N 3.44Å |
| 933 | E | 66.9 | Low | 75.3 | Confident | 176 Ų | 176 | 119.3 Ų | 119.3 | 82% | 0.822 | 57% | 0.567 | S | S | * | * | | | trans | -51.6 | 120.1 | 166.2 | -68.7 | -171.6 | 151.3 | 0 | 0 | 107.6 | V931 K935 | V931-E933 PolarHBondContact O-N 3.28Å; E933-K935 VanDerWaalsContact C-N 3.28Å; E933-K935 PolarHBondContact O-N 3.2Å |
| 934 | E | 59.9 | Low | 76.1 | Confident | 180 Ų | 180 | 116.9 Ų | 116.9 | 84% | 0.841 | 56% | 0.56 | S | S | * | * | | | trans | -63.6 | 101 | 163.8 | -77.4 | -150.2 | 115.5 | 0 | 0 | 106.7 | K932 K936 | K932-E934 PolarHBondContact O-N 3.44Å; E934-K936 PolarHBondContact O-N 3.03Å |
| 935 | K | 73.9 | Confident | 77 | Confident | 155 Ų | 155 | 115.3 Ų | 115.3 | 67% | 0.674 | 55% | 0.553 | S | S | * | * | | | trans | -52.5 | 96.1 | 164.6 | -177.9 | -140.4 | 178 | -155.8 | 0 | 106.3 | E933 C937 D941 | E933-K935 VanDerWaalsContact C-N 3.28Å; E933-K935 PolarHBondContact O-N 3.2Å; K935-C937 PolarHBondContact O-N 3.46Å; K935-D941 IonicContact NZ-OD1 2.72Å; K935-D941 PolarHBondContact NZ-OD1 3.29Å; K935-D941 IonicContact NZ-OD2 2.76Å; K935-D941 PolarHBondContact NZ-OD2 3.42Å |
| 936 | K | 68.3 | Low | 77.6 | Confident | 192 Ų | 192 | 118.3 Ų | 118.3 | 84% | 0.835 | 56% | 0.564 | S | S | * | * | | | trans | -42.7 | 115.5 | -171.9 | -67.2 | -178.6 | 179.5 | 179.4 | 0 | 107.9 | E934 S938 | E934-K936 PolarHBondContact O-N 3.03Å; K936-S938 PolarHBondContact O-N 3.05Å |
| 937 | C | 69.4 | Low | 78.9 | Confident | 83 Ų | 83 | 111.7 Ų | 111.7 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | | | trans | -54.9 | 105 | -173.4 | -176 | 0 | 0 | 0 | 0 | 107.6 | K935 | K935-C937 PolarHBondContact O-N 3.46Š|
| 938 | S | 85.6 | Confident | 79.8 | Confident | 53 Ų | 53 | 108.9 Ų | 108.9 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | | | trans | -64.5 | 150.5 | -168 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | K936 Q940 D941 M942 | K936-S938 PolarHBondContact O-N 3.05Å; S938-Q940 CarbonylContact O-C 3.59Å; S938-Q940 PolarHBondContact O-N 3.49Å; S938-Q940 WeakPolarHBondContact OG-CB 3.45Å; S938-Q940 PolarHBondContact OG-N 3.32Å; S938-D941 WeakPolarHBondContact CB-OD2 3.37Å; S938-D941 PolarHBondContact N-OD2 2.88Å; S938-D941 CarbonylContact O-C 3.6Å; S938-D941 WeakPolarHBondContact O-CA 3.42Å; S938-D941 PolarHBondContact O-N 3.01Å; S938-M942 PolarHBondContact O-N 3.08Å |
| 939 | L | 87.1 | Confident | 80.6 | Confident | 60 Ų | 60 | 107.5 Ų | 107.5 | 31% | 0.314 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -54.3 | -29.5 | 169.5 | -172.6 | 58.8 | 0 | 0 | 0 | 110.7 | M942 A943 L1038 N1042 | L939-M942 HydrophobicContact CD1-CE 3.73Å; L939-A943 WeakPolarHBondContact O-CB 3.37Å; L939-A943 PolarHBondContact O-N 3.08Å; L939-L1038 HydrophobicContact CD2-CB 4.39Å; L939-L1038 HydrophobicContact CD2-CD2 4.31Å; L939-N1042 HydrophobicContact CD2-CB 4.38Å; L939-N1042 VanDerWaalsContact CD2-OD1 3.27Å; L939-N1042 WeakPolarHBondContact CD2-OD1 3.47Å; L939-N1042 HydrophobicContact CG-CB 3.9Å |
| 940 | Q | 88 | Confident | 81.5 | Confident | 66 Ų | 66 | 106.4 Ų | 106.4 | 31% | 0.308 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 168.1 | 179 | 60.6 | 91.2 | 0 | 0 | 113.9 | S938 N944 N1042 | S938-Q940 CarbonylContact O-C 3.59Å; S938-Q940 PolarHBondContact O-N 3.49Å; S938-Q940 WeakPolarHBondContact OG-CB 3.45Å; S938-Q940 PolarHBondContact OG-N 3.32Å; Q940-N944 PolarHBondContact NE2-ND2 2.82Å; Q940-N944 PolarHBondContact NE2-OD1 2.88Å; Q940-N944 VanDerWaalsContact NE2-OD1 3.16Å; Q940-N944 WeakPolarHBondContact O-CB 3.32Å; Q940-N944 PolarHBondContact O-N 3.13Å; Q940-N944 VanDerWaalsContact O-N 3.14Å; Q940-N944 PolarHBondContact O-ND2 3.42Å; Q940-N1042 VanDerWaalsContact CD-O 3.25Å; Q940-N1042 PolarHBondContact NE2-O 3.33Å; Q940-N1042 PolarHBondContact OE1-O 3.27Å |
| 941 | D | 88.4 | Confident | 82.2 | Confident | 58 Ų | 58 | 104.2 Ų | 104.2 | 31% | 0.31 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.3 | -37.7 | -180 | -64.7 | -41.4 | 0 | 0 | 0 | 110.8 | K935 S938 N944 | K935-D941 IonicContact NZ-OD1 2.72Å; K935-D941 PolarHBondContact NZ-OD1 3.29Å; K935-D941 IonicContact NZ-OD2 2.76Å; K935-D941 PolarHBondContact NZ-OD2 3.42Å; S938-D941 WeakPolarHBondContact CB-OD2 3.37Å; S938-D941 PolarHBondContact N-OD2 2.88Å; S938-D941 CarbonylContact O-C 3.6Å; S938-D941 WeakPolarHBondContact O-CA 3.42Å; S938-D941 PolarHBondContact O-N 3.01Å; D941-N944 PolarHBondContact O-N 3.5Å |
| 942 | M | 88 | Confident | 83 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 38% | 0.384 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 174.9 | -176.3 | 163.2 | 61.3 | 0 | 0 | 112.1 | S938 L939 N944 Q945 V948 L1039 | S938-M942 PolarHBondContact O-N 3.08Å; L939-M942 HydrophobicContact CD1-CE 3.73Å; M942-N944 PolarHBondContact O-N 2.77Å; M942-Q945 WeakPolarHBondContact O-CB 3.37Å; M942-Q945 WeakPolarHBondContact O-CG 3.4Å; M942-Q945 PolarHBondContact O-N 3.07Å; M942-Q945 VanDerWaalsContact O-N 3.08Å; M942-V948 HydrophobicContact CG-CG2 4.36Å; M942-L1039 HydrophobicContact CG-CD2 4.28Å |
| 943 | A | 88.6 | Confident | 83.9 | Confident | 13 Ų | 13 | 94.4 Ų | 94.4 | 11% | 0.107 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.2 | -28 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L939 Q945 L1039 N1042 | L939-A943 WeakPolarHBondContact O-CB 3.37Å; L939-A943 PolarHBondContact O-N 3.08Å; A943-Q945 VanDerWaalsContact C-N 3.3Å; A943-Q945 PolarHBondContact O-N 3.31Å; A943-L1039 HydrophobicContact CB-CD2 4.18Å; A943-L1039 WeakPolarHBondContact CB-O 3.42Å; A943-N1042 VanDerWaalsContact CB-C 3.44Å; A943-N1042 HydrophobicContact CB-CB 3.99Å; A943-N1042 WeakPolarHBondContact CB-O 3.2Å |
| 944 | N | 88.9 | Confident | 85.2 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 39% | 0.39 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.3 | 175.7 | -70.3 | -21.3 | 0 | 0 | 0 | 114.2 | Q940 D941 M942 R946 T1044 | Q940-N944 PolarHBondContact NE2-ND2 2.82Å; Q940-N944 PolarHBondContact NE2-OD1 2.88Å; Q940-N944 VanDerWaalsContact NE2-OD1 3.16Å; Q940-N944 WeakPolarHBondContact O-CB 3.32Å; Q940-N944 PolarHBondContact O-N 3.13Å; Q940-N944 VanDerWaalsContact O-N 3.14Å; Q940-N944 PolarHBondContact O-ND2 3.42Å; D941-N944 PolarHBondContact O-N 3.5Å; M942-N944 PolarHBondContact O-N 2.77Å; N944-R946 PolarHBondContact O-N 3.38Å; N944-T1044 PolarHBondContact OD1-N 3.18Å; N944-T1044 VanDerWaalsContact OD1-N 3.16Å; N944-T1044 PolarHBondContact OD1-OG1 2.75Å |
| 945 | Q | 90.5 | Very high | 86.8 | Confident | 83 Ų | 83 | 84.2 Ų | 84.2 | 39% | 0.388 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -69.6 | 127.2 | 177.1 | -65.7 | -176.9 | 27 | 0 | 0 | 111.4 | M942 A943 G947 V948 | M942-Q945 WeakPolarHBondContact O-CB 3.37Å; M942-Q945 WeakPolarHBondContact O-CG 3.4Å; M942-Q945 PolarHBondContact O-N 3.07Å; M942-Q945 VanDerWaalsContact O-N 3.08Å; A943-Q945 VanDerWaalsContact C-N 3.3Å; A943-Q945 PolarHBondContact O-N 3.31Å; Q945-G947 PolarHBondContact O-N 3.04Å; Q945-V948 HydrophobicContact CB-CB 4.16Å; Q945-V948 WeakPolarHBondContact O-CB 3.48Å; Q945-V948 WeakPolarHBondContact O-CG1 3.18Å; Q945-V948 PolarHBondContact O-N 2.99Å |
| 946 | R | 88.3 | Confident | 87.9 | Confident | 246 Ų | 246 | 83.8 Ų | 83.8 | 93% | 0.928 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 115.2 | -178.4 | -171.7 | -176.7 | -173.3 | -81 | -0.8 | 111.1 | N944 | N944-R946 PolarHBondContact O-N 3.38Š|
| 947 | G | 87.6 | Confident | 89.2 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 15.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q945 A949 C950 R951 | Q945-G947 PolarHBondContact O-N 3.04Å; G947-A949 VanDerWaalsContact C-N 3.29Å; G947-A949 PolarHBondContact O-N 3.04Å; G947-C950 WeakPolarHBondContact O-CB 3.44Å; G947-C950 PolarHBondContact O-N 3.07Å; G947-R951 PolarHBondContact O-N 3.32Å |
| 948 | V | 91.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 76.8 Ų | 76.8 | 13% | 0.127 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.3 | -38.2 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | M942 Q945 C950 R951 A952 L1039 | M942-V948 HydrophobicContact CG-CG2 4.36Å; Q945-V948 HydrophobicContact CB-CB 4.16Å; Q945-V948 WeakPolarHBondContact O-CB 3.48Å; Q945-V948 WeakPolarHBondContact O-CG1 3.18Å; Q945-V948 PolarHBondContact O-N 2.99Å; V948-C950 PolarHBondContact O-N 3.02Å; V948-R951 WeakPolarHBondContact O-CB 3.45Å; V948-R951 PolarHBondContact O-N 2.86Å; V948-R951 VanDerWaalsContact O-N 3.11Å; V948-A952 PolarHBondContact O-N 3.11Å; V948-L1039 HydrophobicContact CG1-CD1 4.31Å; V948-L1039 HydrophobicContact CG1-CD2 4.09Å; V948-L1039 HydrophobicContact CG2-CD1 3.93Å; V948-L1039 HydrophobicContact CG2-CD2 3.79Å |
| 949 | A | 88.8 | Confident | 91 | Very high | 41 Ų | 41 | 78.6 Ų | 78.6 | 34% | 0.339 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G947 R951 A952 Q953 L1036 | G947-A949 VanDerWaalsContact C-N 3.29Å; G947-A949 PolarHBondContact O-N 3.04Å; A949-R951 VanDerWaalsContact C-N 3.3Å; A949-R951 PolarHBondContact O-N 3.25Å; A949-A952 PolarHBondContact O-N 3.44Å; A949-Q953 PolarHBondContact O-N 3.48Å; A949-L1036 HydrophobicContact CB-CD1 3.72Å |
| 950 | C | 88.4 | Confident | 91.5 | Very high | 81 Ų | 81 | 78 Ų | 78 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.3 | -27.2 | 175 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | G947 V948 Q953 | G947-C950 WeakPolarHBondContact O-CB 3.44Å; G947-C950 PolarHBondContact O-N 3.07Å; V948-C950 PolarHBondContact O-N 3.02Å; C950-Q953 WeakPolarHBondContact O-CB 3.32Å |
| 951 | R | 90.3 | Very high | 92 | Very high | 168 Ų | 168 | 75.2 Ų | 75.2 | 63% | 0.634 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -73.7 | -41.7 | 170.1 | -66.7 | 177.1 | 174.5 | -170 | -4.3 | 111.7 | G947 V948 A949 Q953 G954 | G947-R951 PolarHBondContact O-N 3.32Å; V948-R951 WeakPolarHBondContact O-CB 3.45Å; V948-R951 PolarHBondContact O-N 2.86Å; V948-R951 VanDerWaalsContact O-N 3.11Å; A949-R951 VanDerWaalsContact C-N 3.3Å; A949-R951 PolarHBondContact O-N 3.25Å; R951-Q953 PolarHBondContact O-N 3.36Å; R951-G954 PolarHBondContact O-N 2.92Å |
| 952 | A | 91.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 74.5 Ų | 74.5 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.1 | -18.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V948 A949 G954 V1035 L1039 | V948-A952 PolarHBondContact O-N 3.11Å; A949-A952 PolarHBondContact O-N 3.44Å; A952-G954 PolarHBondContact O-N 2.78Å; A952-V1035 HydrophobicContact CB-CG1 4.2Å; A952-L1039 HydrophobicContact CB-CD1 3.86Å |
| 953 | Q | 91.8 | Very high | 92.9 | Very high | 95 Ų | 95 | 76 Ų | 76 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.9 | 168.5 | -171.2 | 64.6 | 16.1 | 0 | 0 | 113.3 | A949 C950 R951 W955 | A949-Q953 PolarHBondContact O-N 3.48Å; C950-Q953 WeakPolarHBondContact O-CB 3.32Å; R951-Q953 PolarHBondContact O-N 3.36Å; Q953-W955 PolarHBondContact O-N 3.09Å |
| 954 | G | 94.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 77.2 Ų | 77.2 | 6% | 0.062 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 16.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R951 A952 K956 I957 H958 | R951-G954 PolarHBondContact O-N 2.92Å; A952-G954 PolarHBondContact O-N 2.78Å; G954-K956 PolarHBondContact O-N 2.95Å; G954-I957 WeakPolarHBondContact O-CA 3.49Å; G954-I957 WeakPolarHBondContact O-CB 3.35Å; G954-I957 PolarHBondContact O-N 2.93Å; G954-H958 PolarHBondContact O-CD2 3.14Å; G954-H958 PolarHBondContact O-N 3.46Å |
| 955 | W | 95 | Very high | 93.8 | Very high | 135 Ų | 135 | 80.8 Ų | 80.8 | 51% | 0.511 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -53.7 | -30.5 | -173.7 | 71.6 | -99.8 | 0 | 0 | 0 | 114.8 | Q953 L959 | Q953-W955 PolarHBondContact O-N 3.09Å; W955-L959 HydrophobicContact CZ3-CD2 4.34Å; W955-L959 WeakPolarHBondContact O-CB 3.46Å; W955-L959 PolarHBondContact O-N 3.23Å |
| 956 | K | 95.2 | Very high | 94.1 | Very high | 147 Ų | 147 | 82 Ų | 82 | 64% | 0.639 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69 | -37.8 | 173.9 | -69.7 | -168.2 | 171.5 | -163.2 | 0 | 113.4 | G954 L959 C960 | G954-K956 PolarHBondContact O-N 2.95Å; K956-L959 PolarHBondContact O-N 3Å; K956-C960 WeakPolarHBondContact O-CB 3.32Å; K956-C960 PolarHBondContact O-N 3.26Å |
| 957 | I | 96.5 | Very high | 94.6 | Very high | 42 Ų | 42 | 74.1 Ų | 74.1 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 175.5 | -77.2 | 161 | 0 | 0 | 0 | 109.2 | G954 L959 C960 A961 M1025 M1026 V1028 L1029 | G954-I957 WeakPolarHBondContact O-CA 3.49Å; G954-I957 WeakPolarHBondContact O-CB 3.35Å; G954-I957 PolarHBondContact O-N 2.93Å; I957-L959 VanDerWaalsContact C-N 3.34Å; I957-L959 PolarHBondContact O-N 2.96Å; I957-C960 PolarHBondContact O-N 3.45Å; I957-A961 VanDerWaalsContact O-CB 3.32Å; I957-A961 WeakPolarHBondContact O-CB 3.36Å; I957-A961 PolarHBondContact O-N 3.02Å; I957-M1025 HydrophobicContact CG1-CG 4.44Å; I957-M1025 HydrophobicContact CG2-CG 3.97Å; I957-M1026 HydrophobicContact CG2-SD 4.03Å; I957-V1028 HydrophobicContact CD1-CB 4.28Å; I957-V1028 HydrophobicContact CD1-CG1 4.03Å; I957-L1029 HydrophobicContact CB-CD1 4.18Å; I957-L1029 HydrophobicContact CB-CG 4.47Å; I957-L1029 HydrophobicContact CD1-CD2 3.84Å; I957-L1029 HydrophobicContact CD1-CG 4.35Å; I957-L1029 HydrophobicContact CG2-CD1 3.72Å; I957-L1029 HydrophobicContact CG2-CG 3.96Å |
| 958 | H | 96.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 173 | -68.2 | -62.8 | 0 | 0 | 0 | 113 | G954 A961 A962 L1029 | G954-H958 PolarHBondContact O-CD2 3.14Å; G954-H958 PolarHBondContact O-N 3.46Å; H958-A961 PolarHBondContact O-N 3.47Å; H958-A962 WeakPolarHBondContact O-CB 3.38Å; H958-A962 PolarHBondContact O-N 3.4Å; H958-L1029 WeakPolarHBondContact NE2-CD1 3.49Å |
| 959 | L | 97 | Very high | 95.4 | Very high | 91 Ų | 91 | 74.7 Ų | 74.7 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.3 | -179.9 | 61.5 | 0 | 0 | 0 | 111.8 | W955 K956 I957 A962 Q963 | W955-L959 HydrophobicContact CZ3-CD2 4.34Å; W955-L959 WeakPolarHBondContact O-CB 3.46Å; W955-L959 PolarHBondContact O-N 3.23Å; K956-L959 PolarHBondContact O-N 3Å; I957-L959 VanDerWaalsContact C-N 3.34Å; I957-L959 PolarHBondContact O-N 2.96Å; L959-A962 WeakPolarHBondContact O-CB 3.28Å; L959-A962 PolarHBondContact O-N 3.49Å; L959-Q963 WeakPolarHBondContact O-CG 3.42Å; L959-Q963 PolarHBondContact O-N 3.07Å |
| 960 | C | 97.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 77.7 Ų | 77.7 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 176.4 | -165.8 | 0 | 0 | 0 | 0 | 111.8 | K956 I957 A962 Q963 L964 M1025 | K956-C960 WeakPolarHBondContact O-CB 3.32Å; K956-C960 PolarHBondContact O-N 3.26Å; I957-C960 PolarHBondContact O-N 3.45Å; C960-A962 VanDerWaalsContact C-N 3.27Å; C960-A962 PolarHBondContact O-N 3.23Å; C960-Q963 PolarHBondContact O-N 3.15Å; C960-Q963 VanDerWaalsContact O-N 3.12Å; C960-L964 PolarHBondContact O-N 2.83Å; C960-M1025 HydrophobicContact CB-CE 3.77Å; C960-M1025 HydrophobicContact CB-SD 3.73Å; C960-M1025 VanDerWaalsContact SG-SD 3.69Å |
| 961 | A | 97.7 | Very high | 96.2 | Very high | 6 Ų | 6 | 75.9 Ų | 75.9 | 5% | 0.05 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.9 | -29.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | I957 H958 R965 R1022 M1025 M1026 | I957-A961 VanDerWaalsContact O-CB 3.32Å; I957-A961 WeakPolarHBondContact O-CB 3.36Å; I957-A961 PolarHBondContact O-N 3.02Å; H958-A961 PolarHBondContact O-N 3.47Å; A961-R965 PolarHBondContact O-N 3.03Å; A961-R965 VanDerWaalsContact O-N 3.15Å; A961-R1022 HydrophobicContact CB-CG 4.02Å; A961-M1025 HydrophobicContact CB-CE 4.08Å; A961-M1026 HydrophobicContact CB-CG 3.91Å; A961-M1026 HydrophobicContact CB-SD 3.76Å |
| 962 | A | 97.9 | Very high | 96.6 | Very high | 44 Ų | 44 | 72.6 Ų | 72.6 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72 | -40.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H958 L959 C960 R965 Q966 | H958-A962 WeakPolarHBondContact O-CB 3.38Å; H958-A962 PolarHBondContact O-N 3.4Å; L959-A962 WeakPolarHBondContact O-CB 3.28Å; L959-A962 PolarHBondContact O-N 3.49Å; C960-A962 VanDerWaalsContact C-N 3.27Å; C960-A962 PolarHBondContact O-N 3.23Å; A962-R965 WeakPolarHBondContact O-CB 3.3Å; A962-R965 PolarHBondContact O-N 3Å; A962-Q966 WeakPolarHBondContact O-CG 3.13Å; A962-Q966 PolarHBondContact O-N 3.24Å |
| 963 | Q | 98.3 | Very high | 96.9 | Very high | 109 Ų | 109 | 75.7 Ų | 75.7 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 175.7 | -69.8 | 173.9 | -48.6 | 0 | 0 | 112.3 | L959 C960 R965 Q966 L967 | L959-Q963 WeakPolarHBondContact O-CG 3.42Å; L959-Q963 PolarHBondContact O-N 3.07Å; C960-Q963 PolarHBondContact O-N 3.15Å; C960-Q963 VanDerWaalsContact O-N 3.12Å; Q963-R965 VanDerWaalsContact C-N 3.34Å; Q963-R965 PolarHBondContact O-N 3.45Å; Q963-Q966 WeakPolarHBondContact O-CB 3.48Å; Q963-Q966 PolarHBondContact O-N 3.45Å; Q963-Q966 VanDerWaalsContact O-N 3.17Å; Q963-L967 PolarHBondContact O-N 3.05Å |
| 964 | L | 98.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 74.3 Ų | 74.3 | 20% | 0.204 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.3 | -37 | 172.4 | -68.1 | -179.1 | 0 | 0 | 0 | 112.1 | C960 Q966 L967 S968 V1018 A1021 R1022 M1025 | C960-L964 PolarHBondContact O-N 2.83Å; L964-Q966 VanDerWaalsContact C-N 3.3Å; L964-Q966 PolarHBondContact O-N 3.05Å; L964-L967 PolarHBondContact O-N 3.43Å; L964-S968 WeakPolarHBondContact O-CB 3.37Å; L964-S968 PolarHBondContact O-N 3.45Å; L964-V1018 HydrophobicContact CB-CG1 4.04Å; L964-V1018 HydrophobicContact CD2-CG1 4.34Å; L964-V1018 WeakPolarHBondContact O-CG1 3.42Å; L964-A1021 HydrophobicContact CD1-CB 4.45Å; L964-R1022 HydrophobicContact CB-CB 4.1Å; L964-R1022 HydrophobicContact CD1-CB 3.97Å; L964-M1025 HydrophobicContact CD1-CE 3.55Å; L964-M1025 HydrophobicContact CG-CE 4.42Å |
| 965 | R | 97.6 | Very high | 97.4 | Very high | 147 Ų | 147 | 76.2 Ų | 76.2 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.2 | -37.4 | 171.9 | -166.1 | -172.1 | 70.9 | 83.6 | -1.6 | 112 | A961 A962 Q963 S968 S969 | A961-R965 PolarHBondContact O-N 3.03Å; A961-R965 VanDerWaalsContact O-N 3.15Å; A962-R965 WeakPolarHBondContact O-CB 3.3Å; A962-R965 PolarHBondContact O-N 3Å; Q963-R965 VanDerWaalsContact C-N 3.34Å; Q963-R965 PolarHBondContact O-N 3.45Å; R965-S968 PolarHBondContact O-N 2.73Å; R965-S969 PolarHBondContact O-N 3.42Å; R965-S969 PolarHBondContact O-OG 2.82Å |
| 966 | Q | 97.8 | Very high | 97.5 | Very high | 110 Ų | 110 | 72.6 Ų | 72.6 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 175 | -70.2 | 175.8 | -66.6 | 0 | 0 | 112.1 | A962 Q963 L964 S969 L970 | A962-Q966 WeakPolarHBondContact O-CG 3.13Å; A962-Q966 PolarHBondContact O-N 3.24Å; Q963-Q966 WeakPolarHBondContact O-CB 3.48Å; Q963-Q966 PolarHBondContact O-N 3.45Å; Q963-Q966 VanDerWaalsContact O-N 3.17Å; L964-Q966 VanDerWaalsContact C-N 3.3Å; L964-Q966 PolarHBondContact O-N 3.05Å; Q966-S969 WeakPolarHBondContact CA-OG 3.4Å; Q966-S969 PolarHBondContact O-N 3.27Å; Q966-S969 PolarHBondContact O-OG 3.2Å; Q966-L970 WeakPolarHBondContact O-CG 3.21Å; Q966-L970 PolarHBondContact O-N 3.07Å; Q966-L970 VanDerWaalsContact O-N 3.07Å |
| 967 | L | 97.9 | Very high | 97.6 | Very high | 80 Ų | 80 | 74.5 Ų | 74.5 | 42% | 0.419 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 173.5 | -178.8 | 61.4 | 0 | 0 | 0 | 111.6 | Q963 L964 S969 L970 E971 V1018 | Q963-L967 PolarHBondContact O-N 3.05Å; L964-L967 PolarHBondContact O-N 3.43Å; L967-S969 VanDerWaalsContact C-N 3.35Å; L967-S969 PolarHBondContact O-N 3.14Å; L967-L970 PolarHBondContact O-N 3.21Å; L967-L970 VanDerWaalsContact O-N 3.16Å; L967-E971 PolarHBondContact O-N 3.43Å; L967-V1018 HydrophobicContact CB-CG1 4.38Å; L967-V1018 HydrophobicContact CD2-CG1 4.36Å; L967-V1018 HydrophobicContact CD2-CG2 3.88Å; L967-V1018 HydrophobicContact CG-CG1 4.46Å; L967-V1018 HydrophobicContact CG-CG2 4.33Å |
| 968 | S | 97.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.6 | -42.3 | 174.4 | 166.4 | 0 | 0 | 0 | 0 | 112.4 | L964 R965 E971 H972 | L964-S968 WeakPolarHBondContact O-CB 3.37Å; L964-S968 PolarHBondContact O-N 3.45Å; R965-S968 PolarHBondContact O-N 2.73Å; S968-E971 PolarHBondContact O-N 2.87Å; S968-H972 PolarHBondContact O-N 3.11Å |
| 969 | S | 97.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67 | -35.4 | 174.6 | 47 | 0 | 0 | 0 | 0 | 113.7 | R965 Q966 L967 H972 D973 | R965-S969 PolarHBondContact O-N 3.42Å; R965-S969 PolarHBondContact O-OG 2.82Å; Q966-S969 WeakPolarHBondContact CA-OG 3.4Å; Q966-S969 PolarHBondContact O-N 3.27Å; Q966-S969 PolarHBondContact O-OG 3.2Å; L967-S969 VanDerWaalsContact C-N 3.35Å; L967-S969 PolarHBondContact O-N 3.14Å; S969-H972 WeakPolarHBondContact O-CB 3.44Å; S969-H972 PolarHBondContact O-N 2.89Å; S969-D973 PolarHBondContact O-N 3.48Å |
| 970 | L | 97.6 | Very high | 97.6 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 175.5 | -70.3 | 169.7 | 0 | 0 | 0 | 111.7 | Q966 L967 H972 D973 V974 | Q966-L970 WeakPolarHBondContact O-CG 3.21Å; Q966-L970 PolarHBondContact O-N 3.07Å; Q966-L970 VanDerWaalsContact O-N 3.07Å; L967-L970 PolarHBondContact O-N 3.21Å; L967-L970 VanDerWaalsContact O-N 3.16Å; L970-H972 VanDerWaalsContact C-N 3.27Å; L970-H972 PolarHBondContact O-N 3.07Å; L970-D973 PolarHBondContact O-N 3.09Å; L970-V974 WeakPolarHBondContact O-CG2 3.43Å; L970-V974 PolarHBondContact O-N 2.98Å |
| 971 | E | 97.5 | Very high | 97.4 | Very high | 43 Ų | 43 | 72.8 Ų | 72.8 | 20% | 0.201 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66 | -32.4 | 173.6 | -158.5 | 65.5 | -156.1 | 0 | 0 | 111.5 | L967 S968 V974 Y975 C1011 V1014 | L967-E971 PolarHBondContact O-N 3.43Å; S968-E971 PolarHBondContact O-N 2.87Å; E971-V974 PolarHBondContact O-N 3.24Å; E971-Y975 WeakPolarHBondContact O-CB 3.18Å; E971-Y975 PolarHBondContact O-N 2.83Å; E971-C1011 HydrophobicContact CG-CB 4.1Å; E971-C1011 WeakPolarHBondContact CG-O 3.36Å; E971-C1011 WeakPolarHBondContact OE1-CA 3.49Å; E971-C1011 PolarHBondContact OE1-SG 2.92Å; E971-V1014 HydrophobicContact CG-CB 4.08Å; E971-V1014 HydrophobicContact CG-CG1 3.87Å |
| 972 | H | 97.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 74.6 Ų | 74.6 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 173 | -166.6 | 89.7 | 0 | 0 | 0 | 112.6 | S968 S969 L970 V974 Y975 S976 M1015 | S968-H972 PolarHBondContact O-N 3.11Å; S969-H972 WeakPolarHBondContact O-CB 3.44Å; S969-H972 PolarHBondContact O-N 2.89Å; L970-H972 VanDerWaalsContact C-N 3.27Å; L970-H972 PolarHBondContact O-N 3.07Å; H972-V974 VanDerWaalsContact C-N 3.3Å; H972-V974 PolarHBondContact O-N 3.4Å; H972-Y975 PolarHBondContact O-N 2.88Å; H972-S976 VanDerWaalsContact O-CB 3.3Å; H972-S976 WeakPolarHBondContact O-CB 3.34Å; H972-S976 PolarHBondContact O-N 3.35Å; H972-M1015 HydrophobicContact CB-CE 3.74Å; H972-M1015 HydrophobicContact CB-SD 4.1Å |
| 973 | D | 97.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 78.1 Ų | 78.1 | 46% | 0.46 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 172.6 | -69.8 | -27.2 | 0 | 0 | 0 | 111.7 | S969 L970 R977 | S969-D973 PolarHBondContact O-N 3.48Å; L970-D973 PolarHBondContact O-N 3.09Å; D973-R977 VanDerWaalsContact O-CD 3.31Å; D973-R977 WeakPolarHBondContact O-CD 3.34Å; D973-R977 WeakPolarHBondContact O-CG 3.46Å; D973-R977 PolarHBondContact O-N 3.41Å; D973-R977 VanDerWaalsContact O-N 3.11Å |
| 974 | V | 97.8 | Very high | 96.2 | Very high | 66 Ų | 66 | 76 Ų | 76 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.7 | -46.9 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 111 | L970 E971 H972 S976 R977 L978 | L970-V974 WeakPolarHBondContact O-CG2 3.43Å; L970-V974 PolarHBondContact O-N 2.98Å; E971-V974 PolarHBondContact O-N 3.24Å; H972-V974 VanDerWaalsContact C-N 3.3Å; H972-V974 PolarHBondContact O-N 3.4Å; V974-S976 VanDerWaalsContact C-N 3.33Å; V974-S976 PolarHBondContact O-N 3.26Å; V974-R977 PolarHBondContact O-N 2.95Å; V974-L978 HydrophobicContact CG1-CD1 4.04Å; V974-L978 WeakPolarHBondContact O-CG 2.98Å; V974-L978 PolarHBondContact O-N 3.48Å |
| 975 | Y | 97.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 76.8 Ų | 76.8 | 18% | 0.184 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 175.1 | 178 | -86.1 | 0 | 0 | 0 | 112 | E971 H972 L978 S979 M1008 C1011 K1012 | E971-Y975 WeakPolarHBondContact O-CB 3.18Å; E971-Y975 PolarHBondContact O-N 2.83Å; H972-Y975 PolarHBondContact O-N 2.88Å; Y975-L978 PolarHBondContact O-N 2.87Å; Y975-S979 PolarHBondContact O-N 3.12Å; Y975-M1008 HydrophobicContact CD2-CB 4.06Å; Y975-M1008 HydrophobicContact CD2-CG 4.26Å; Y975-M1008 HydrophobicContact CE1-CE 4.34Å; Y975-M1008 HydrophobicContact CE2-CB 3.77Å; Y975-M1008 HydrophobicContact CE2-CE 3.87Å; Y975-M1008 HydrophobicContact CE2-CG 4.14Å; Y975-C1011 HydrophobicContact CD2-CB 4.17Å; Y975-K1012 HydrophobicContact CD2-CG 4.11Å; Y975-K1012 HydrophobicContact CE2-CD 3.89Å; Y975-K1012 HydrophobicContact CE2-CG 3.8Å; Y975-K1012 VanDerWaalsContact OH-CE 3.23Å; Y975-K1012 WeakPolarHBondContact OH-CE 3.43Å; Y975-K1012 PolarHBondContact OH-NZ 3.42Å |
| 976 | S | 98 | Very high | 94.4 | Very high | 58 Ų | 58 | 74.9 Ų | 74.9 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | H972 V974 L978 S979 T980 | H972-S976 VanDerWaalsContact O-CB 3.3Å; H972-S976 WeakPolarHBondContact O-CB 3.34Å; H972-S976 PolarHBondContact O-N 3.35Å; V974-S976 VanDerWaalsContact C-N 3.33Å; V974-S976 PolarHBondContact O-N 3.26Å; S976-L978 VanDerWaalsContact C-N 3.3Å; S976-L978 PolarHBondContact O-N 3.41Å; S976-S979 WeakPolarHBondContact O-CB 3.37Å; S976-S979 PolarHBondContact O-N 3.04Å; S976-S979 VanDerWaalsContact O-N 3.12Å; S976-T980 PolarHBondContact O-N 3.27Å; S976-T980 PolarHBondContact O-OG1 3.42Å |
| 977 | R | 97.3 | Very high | 92.7 | Very high | 188 Ų | 188 | 73.1 Ų | 73.1 | 71% | 0.709 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.1 | -37.3 | 174.7 | -70.4 | 162.8 | -175.1 | -103.2 | 0.2 | 112.8 | D973 V974 L981 | D973-R977 VanDerWaalsContact O-CD 3.31Å; D973-R977 WeakPolarHBondContact O-CD 3.34Å; D973-R977 WeakPolarHBondContact O-CG 3.46Å; D973-R977 PolarHBondContact O-N 3.41Å; D973-R977 VanDerWaalsContact O-N 3.11Å; V974-R977 PolarHBondContact O-N 2.95Å; R977-L981 WeakPolarHBondContact O-CB 3.42Å; R977-L981 PolarHBondContact O-N 2.95Å |
| 978 | L | 96.8 | Very high | 90.9 | Very high | 23 Ų | 23 | 79.1 Ų | 79.1 | 12% | 0.12 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 175.3 | -71.6 | 167.1 | 0 | 0 | 0 | 112.1 | V974 Y975 S976 L981 Q982 I1004 N1007 M1008 | V974-L978 HydrophobicContact CG1-CD1 4.04Å; V974-L978 WeakPolarHBondContact O-CG 2.98Å; V974-L978 PolarHBondContact O-N 3.48Å; Y975-L978 PolarHBondContact O-N 2.87Å; S976-L978 VanDerWaalsContact C-N 3.3Å; S976-L978 PolarHBondContact O-N 3.41Å; L978-L981 PolarHBondContact O-N 3.42Å; L978-Q982 WeakPolarHBondContact O-CB 3.48Å; L978-Q982 PolarHBondContact O-N 3.01Å; L978-I1004 HydrophobicContact CB-CG2 4.39Å; L978-I1004 HydrophobicContact CD2-CG2 4.4Å; L978-N1007 HydrophobicContact CD1-CB 3.71Å; L978-N1007 HydrophobicContact CD2-CB 4.19Å; L978-M1008 HydrophobicContact CB-CG 3.5Å; L978-M1008 VanDerWaalsContact CB-CG 3.5Å; L978-M1008 HydrophobicContact CB-SD 4.09Å; L978-M1008 HydrophobicContact CD1-CG 4.12Å; L978-M1008 HydrophobicContact CG-CG 4.42Å |
| 979 | S | 96.1 | Very high | 89 | Confident | 28 Ų | 28 | 87 Ų | 87 | 20% | 0.196 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.7 | -51.8 | 172.7 | -160.5 | 0 | 0 | 0 | 0 | 111 | Y975 S976 L981 Q982 E983 | Y975-S979 PolarHBondContact O-N 3.12Å; S976-S979 WeakPolarHBondContact O-CB 3.37Å; S976-S979 PolarHBondContact O-N 3.04Å; S976-S979 VanDerWaalsContact O-N 3.12Å; S979-L981 VanDerWaalsContact C-N 3.26Å; S979-L981 PolarHBondContact O-N 2.98Å; S979-Q982 WeakPolarHBondContact O-CA 3.4Å; S979-Q982 WeakPolarHBondContact O-CB 3.49Å; S979-Q982 PolarHBondContact O-N 2.83Å; S979-E983 VanDerWaalsContact C-OE1 3.23Å; S979-E983 WeakPolarHBondContact CB-OE1 3.42Å; S979-E983 WeakPolarHBondContact O-CB 3.32Å; S979-E983 VanDerWaalsContact O-CG 3.28Å; S979-E983 WeakPolarHBondContact O-CG 3.34Å; S979-E983 PolarHBondContact O-N 3.49Å; S979-E983 PolarHBondContact OG-OE1 3.1Å |
| 980 | T | 96.1 | Very high | 86.9 | Confident | 90 Ų | 90 | 95.9 Ų | 95.9 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.7 | -35.7 | 177.5 | -50.1 | 0 | 0 | 0 | 0 | 112.4 | S976 G984 | S976-T980 PolarHBondContact O-N 3.27Å; S976-T980 PolarHBondContact O-OG1 3.42Å; T980-G984 PolarHBondContact O-N 3.31Å |
| 981 | L | 93.6 | Very high | 85.2 | Confident | 90 Ų | 90 | 95.3 Ų | 95.3 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 173.5 | -177.2 | 63.1 | 0 | 0 | 0 | 111.8 | R977 L978 S979 G984 L985 I1004 | R977-L981 WeakPolarHBondContact O-CB 3.42Å; R977-L981 PolarHBondContact O-N 2.95Å; L978-L981 PolarHBondContact O-N 3.42Å; S979-L981 VanDerWaalsContact C-N 3.26Å; S979-L981 PolarHBondContact O-N 2.98Å; L981-G984 PolarHBondContact O-N 2.87Å; L981-L985 HydrophobicContact CD1-CD1 3.94Å; L981-L985 HydrophobicContact CD1-CG 4.37Å; L981-L985 HydrophobicContact CG-CD1 3.93Å; L981-L985 WeakPolarHBondContact O-CB 3.41Å; L981-L985 WeakPolarHBondContact O-CD1 3.27Å; L981-L985 VanDerWaalsContact O-CG 3.23Å; L981-L985 WeakPolarHBondContact O-CG 3.31Å; L981-L985 PolarHBondContact O-N 3.47Å; L981-I1004 HydrophobicContact CD2-CD1 3.8Å; L981-I1004 HydrophobicContact CD2-CG1 4.21Å; L981-I1004 HydrophobicContact CG-CD1 3.82Å |
| 982 | Q | 92.6 | Very high | 83.5 | Confident | 43 Ų | 43 | 97 Ų | 97 | 20% | 0.201 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -62.2 | -51 | 175.1 | -161.8 | -177.6 | 21.5 | 0 | 0 | 110.9 | L978 S979 G984 L985 I986 N1001 I1004 M1008 | L978-Q982 WeakPolarHBondContact O-CB 3.48Å; L978-Q982 PolarHBondContact O-N 3.01Å; S979-Q982 WeakPolarHBondContact O-CA 3.4Å; S979-Q982 WeakPolarHBondContact O-CB 3.49Å; S979-Q982 PolarHBondContact O-N 2.83Å; Q982-G984 VanDerWaalsContact C-N 3.26Å; Q982-G984 PolarHBondContact O-N 3.08Å; Q982-L985 PolarHBondContact O-N 2.94Å; Q982-I986 PolarHBondContact O-N 3.12Å; Q982-N1001 WeakPolarHBondContact CG-OD1 3.34Å; Q982-N1001 PolarHBondContact NE2-OD1 2.91Å; Q982-I1004 HydrophobicContact CB-CG2 3.87Å; Q982-I1004 HydrophobicContact CG-CG2 4.22Å; Q982-M1008 HydrophobicContact CB-SD 4.39Å |
| 983 | E | 90.7 | Very high | 81.7 | Confident | 118 Ų | 118 | 97.3 Ų | 97.3 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58 | -37.1 | 178.8 | -68.9 | 157.9 | -132.7 | 0 | 0 | 112.3 | S979 L985 | S979-E983 VanDerWaalsContact C-OE1 3.23Å; S979-E983 WeakPolarHBondContact CB-OE1 3.42Å; S979-E983 WeakPolarHBondContact O-CB 3.32Å; S979-E983 VanDerWaalsContact O-CG 3.28Å; S979-E983 WeakPolarHBondContact O-CG 3.34Å; S979-E983 PolarHBondContact O-N 3.49Å; S979-E983 PolarHBondContact OG-OE1 3.1Å; E983-L985 VanDerWaalsContact C-N 3.34Å |
| 984 | G | 86.1 | Confident | 80.6 | Confident | 66 Ų | 66 | 97 Ų | 97 | 68% | 0.68 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -74.8 | -17 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T980 L981 Q982 | T980-G984 PolarHBondContact O-N 3.31Å; L981-G984 PolarHBondContact O-N 2.87Å; Q982-G984 VanDerWaalsContact C-N 3.26Å; Q982-G984 PolarHBondContact O-N 3.08Å |
| 985 | L | 82.9 | Confident | 80.1 | Confident | 54 Ų | 54 | 100.3 Ų | 100.3 | 28% | 0.283 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -101.5 | -7.7 | -178.8 | -72.6 | 171.5 | 0 | 0 | 0 | 113.9 | L981 Q982 E983 P987 L997 I1000 I1004 | L981-L985 HydrophobicContact CD1-CD1 3.94Å; L981-L985 HydrophobicContact CD1-CG 4.37Å; L981-L985 HydrophobicContact CG-CD1 3.93Å; L981-L985 WeakPolarHBondContact O-CB 3.41Å; L981-L985 WeakPolarHBondContact O-CD1 3.27Å; L981-L985 VanDerWaalsContact O-CG 3.23Å; L981-L985 WeakPolarHBondContact O-CG 3.31Å; L981-L985 PolarHBondContact O-N 3.47Å; Q982-L985 PolarHBondContact O-N 2.94Å; E983-L985 VanDerWaalsContact C-N 3.34Å; L985-P987 VanDerWaalsContact O-CD 3.28Å; L985-P987 WeakPolarHBondContact O-CD 3.22Å; L985-L997 HydrophobicContact CB-CD1 4.08Å; L985-L997 HydrophobicContact CD2-CD1 3.82Å; L985-L997 HydrophobicContact CG-CD1 4.45Å; L985-I1000 HydrophobicContact CD1-CG2 3.76Å; L985-I1004 HydrophobicContact CD1-CD1 3.46Å; L985-I1004 VanDerWaalsContact CD1-CD1 3.46Å |
| 986 | I | 73.6 | Confident | 79.6 | Confident | 107 Ų | 107 | 103.3 Ų | 103.3 | 55% | 0.549 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -63.8 | 115 | 172.3 | -65.8 | 167.1 | 0 | 0 | 0 | 108.9 | Q982 K988 | Q982-I986 PolarHBondContact O-N 3.12Å; I986-K988 PolarHBondContact O-N 3.16Å |
| 987 | P | 63.6 | Low | 79.1 | Confident | 73 Ų | 73 | 102.8 Ų | 102.8 | 47% | 0.474 | 56% | 0.556 | S | S | . | * | | | trans | -72.3 | 101.8 | -168.4 | 26.5 | -33.4 | 0 | 0 | 0 | 112 | L985 K989 L997 | L985-P987 VanDerWaalsContact O-CD 3.28Å; L985-P987 WeakPolarHBondContact O-CD 3.22Å; P987-K989 PolarHBondContact O-N 2.99Å; P987-K989 VanDerWaalsContact O-N 3.13Å; P987-L997 HydrophobicContact CB-CD2 3.83Å; P987-L997 HydrophobicContact CG-CD2 3.94Å |
| 988 | K | 60.5 | Low | 78.7 | Confident | 207 Ų | 207 | 98.8 Ų | 98.8 | 90% | 0.9 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -63.6 | -17.4 | -176.3 | -93.3 | -177.4 | 175.6 | 174.2 | 0 | 115.7 | I986 | I986-K988 PolarHBondContact O-N 3.16Š|
| 989 | K | 56.2 | Low | 78.5 | Confident | 188 Ų | 188 | 105.4 Ų | 105.4 | 82% | 0.817 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -152.6 | 137.7 | 167.8 | -78 | -162.5 | 176 | 179.8 | 0 | 113.4 | P987 | P987-K989 PolarHBondContact O-N 2.99Å; P987-K989 VanDerWaalsContact O-N 3.13Å |
| 990 | R | 54.4 | Low | 78.3 | Confident | 236 Ų | 236 | 107.8 Ų | 107.8 | 89% | 0.891 | 58% | 0.579 | S | S | * | * | | | trans | 49.6 | 94.9 | 154.3 | -72.8 | -70.1 | -162.9 | -165.1 | 3 | 118.4 | | |
| 991 | A | 62.1 | Low | 78.1 | Confident | 92 Ų | 92 | 105.5 Ų | 105.5 | 76% | 0.76 | 56% | 0.563 | S | S | * | * | | | | 22.3 | 126.1 | 124.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 992 | G | 61.3 | Low | 78.2 | Confident | 79 Ų | 79 | 105.8 Ų | 105.8 | 81% | 0.814 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 173.3 | -33.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 993 | S | 59.8 | Low | 78.3 | Confident | 104 Ų | 104 | 108.4 Ų | 108.4 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -150.6 | 54.6 | -177.3 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 994 | D | 76 | Confident | 78.6 | Confident | 80 Ų | 80 | 103.2 Ų | 103.2 | 43% | 0.428 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -83 | -19.3 | -166.2 | -154.5 | 28.4 | 0 | 0 | 0 | 113.2 | D996 L997 H998 | D994-D996 PolarHBondContact O-N 3.42Å; D994-L997 PolarHBondContact O-N 3.49Å; D994-L997 VanDerWaalsContact O-N 3.12Å; D994-H998 VanDerWaalsContact O-CB 3.29Å; D994-H998 WeakPolarHBondContact O-CB 3.43Å; D994-H998 PolarHBondContact O-N 3.17Å |
| 995 | D | 85.8 | Confident | 79.1 | Confident | 136 Ų | 136 | 103.7 Ų | 103.7 | 73% | 0.727 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | -173.1 | -59.4 | -69.4 | 0 | 0 | 0 | 113.7 | R999 | D995-R999 WeakPolarHBondContact O-CB 3.45Å; D995-R999 PolarHBondContact O-N 3Å |
| 996 | D | 88.3 | Confident | 79.8 | Confident | 110 Ų | 110 | 102.4 Ų | 102.4 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.7 | -35 | 175.8 | -89.5 | -42 | 0 | 0 | 0 | 112 | D994 R999 I1000 | D994-D996 PolarHBondContact O-N 3.42Å; D996-R999 PolarHBondContact O-N 2.98Å; D996-I1000 WeakPolarHBondContact O-CB 3.32Å; D996-I1000 WeakPolarHBondContact O-CD1 3.35Å; D996-I1000 WeakPolarHBondContact O-CG1 3.23Å; D996-I1000 PolarHBondContact O-N 3.26Å |
| 997 | L | 87.4 | Confident | 81 | Confident | 46 Ų | 46 | 99.7 Ų | 99.7 | 24% | 0.241 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 177.6 | -176.2 | 60.6 | 0 | 0 | 0 | 111.1 | L985 P987 D994 I1000 N1001 | L985-L997 HydrophobicContact CB-CD1 4.08Å; L985-L997 HydrophobicContact CD2-CD1 3.82Å; L985-L997 HydrophobicContact CG-CD1 4.45Å; P987-L997 HydrophobicContact CB-CD2 3.83Å; P987-L997 HydrophobicContact CG-CD2 3.94Å; D994-L997 PolarHBondContact O-N 3.49Å; D994-L997 VanDerWaalsContact O-N 3.12Å; L997-I1000 PolarHBondContact O-N 3.43Å; L997-N1001 WeakPolarHBondContact O-CB 3.45Å; L997-N1001 PolarHBondContact O-N 3.38Å |
| 998 | H | 88.9 | Confident | 82.6 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 171.5 | 178.7 | 58.7 | 0 | 0 | 0 | 110.9 | D994 I1000 N1001 E1002 | D994-H998 VanDerWaalsContact O-CB 3.29Å; D994-H998 WeakPolarHBondContact O-CB 3.43Å; D994-H998 PolarHBondContact O-N 3.17Å; H998-I1000 VanDerWaalsContact C-N 3.32Å; H998-I1000 PolarHBondContact O-N 3.26Å; H998-N1001 CarbonylContact O-C 3.06Å; H998-N1001 WeakPolarHBondContact O-CA 3.47Å; H998-N1001 WeakPolarHBondContact O-CB 3.46Å; H998-N1001 PolarHBondContact O-N 2.7Å; H998-E1002 IonicContact CE1-OE1 3.77Å; H998-E1002 WeakPolarHBondContact O-CG 3.45Å; H998-E1002 PolarHBondContact O-N 3.15Å |
| 999 | R | 92.4 | Very high | 84.4 | Confident | 161 Ų | 161 | 93.8 Ų | 93.8 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -35.5 | 176.2 | -176.3 | 170.1 | 177.2 | -100.5 | -4.4 | 113.1 | D995 D996 L1003 | D995-R999 WeakPolarHBondContact O-CB 3.45Å; D995-R999 PolarHBondContact O-N 3Å; D996-R999 PolarHBondContact O-N 2.98Å; R999-L1003 VanDerWaalsContact O-CG 3.31Å; R999-L1003 WeakPolarHBondContact O-CG 3.47Å; R999-L1003 PolarHBondContact O-N 3.16Å; R999-L1003 VanDerWaalsContact O-N 3.17Å |
| 1000 | I | 92 | Very high | 86.4 | Confident | 78 Ų | 78 | 92.4 Ų | 92.4 | 40% | 0.4 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 171.7 | -70.9 | 162.9 | 0 | 0 | 0 | 110.7 | L985 D996 L997 H998 L1003 I1004 | L985-I1000 HydrophobicContact CD1-CG2 3.76Å; D996-I1000 WeakPolarHBondContact O-CB 3.32Å; D996-I1000 WeakPolarHBondContact O-CD1 3.35Å; D996-I1000 WeakPolarHBondContact O-CG1 3.23Å; D996-I1000 PolarHBondContact O-N 3.26Å; L997-I1000 PolarHBondContact O-N 3.43Å; H998-I1000 VanDerWaalsContact C-N 3.32Å; H998-I1000 PolarHBondContact O-N 3.26Å; I1000-L1003 PolarHBondContact O-N 3.36Å; I1000-I1004 HydrophobicContact CG2-CD1 3.76Å; I1000-I1004 HydrophobicContact CG2-CG1 4.48Å; I1000-I1004 VanDerWaalsContact O-CG1 3.31Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.18Å; I1000-I1004 PolarHBondContact O-N 2.89Å |
| 1001 | N | 92.4 | Very high | 88.5 | Confident | 43 Ų | 43 | 81.5 Ų | 81.5 | 23% | 0.23 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 176 | -173.9 | 14.3 | 0 | 0 | 0 | 112.1 | Q982 L997 H998 L1003 I1004 Q1005 | Q982-N1001 WeakPolarHBondContact CG-OD1 3.34Å; Q982-N1001 PolarHBondContact NE2-OD1 2.91Å; L997-N1001 WeakPolarHBondContact O-CB 3.45Å; L997-N1001 PolarHBondContact O-N 3.38Å; H998-N1001 CarbonylContact O-C 3.06Å; H998-N1001 WeakPolarHBondContact O-CA 3.47Å; H998-N1001 WeakPolarHBondContact O-CB 3.46Å; H998-N1001 PolarHBondContact O-N 2.7Å; N1001-L1003 PolarHBondContact O-N 2.87Å; N1001-I1004 PolarHBondContact O-N 3.29Å; N1001-Q1005 WeakPolarHBondContact O-CG 3.44Å; N1001-Q1005 PolarHBondContact O-N 3.03Å; N1001-Q1005 PolarHBondContact O-NE2 3.11Å; N1001-Q1005 PolarHBondContact OD1-NE2 3.47Å |
| 1002 | E | 94.4 | Very high | 90.1 | Very high | 95 Ų | 95 | 82 Ų | 82 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 173.7 | -70.3 | -57.8 | 110.8 | 0 | 0 | 112.2 | H998 I1004 Q1005 G1006 | H998-E1002 IonicContact CE1-OE1 3.77Å; H998-E1002 WeakPolarHBondContact O-CG 3.45Å; H998-E1002 PolarHBondContact O-N 3.15Å; E1002-I1004 VanDerWaalsContact C-N 3.35Å; E1002-I1004 PolarHBondContact O-N 3.28Å; E1002-Q1005 PolarHBondContact O-N 3.48Å; E1002-Q1005 PolarHBondContact OE1-NE2 3.1Å; E1002-G1006 PolarHBondContact O-N 3.46Å |
| 1003 | L | 96.4 | Very high | 91.9 | Very high | 99 Ų | 99 | 82.7 Ų | 82.7 | 52% | 0.518 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 174.1 | -71.5 | 169.8 | 0 | 0 | 0 | 112.2 | R999 I1000 N1001 N1007 | R999-L1003 VanDerWaalsContact O-CG 3.31Å; R999-L1003 WeakPolarHBondContact O-CG 3.47Å; R999-L1003 PolarHBondContact O-N 3.16Å; R999-L1003 VanDerWaalsContact O-N 3.17Å; I1000-L1003 PolarHBondContact O-N 3.36Å; N1001-L1003 PolarHBondContact O-N 2.87Å; L1003-N1007 WeakPolarHBondContact O-CB 3.34Å; L1003-N1007 PolarHBondContact O-N 3.49Å; L1003-N1007 PolarHBondContact O-ND2 3.47Å; L1003-N1007 VanDerWaalsContact O-ND2 3.13Å; L1003-N1007 PolarHBondContact O-OD1 3.16Å |
| 1004 | I | 96.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 80.2 Ų | 80.2 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.7 | -45 | 175.8 | -69.9 | 163.3 | 0 | 0 | 0 | 110.9 | L978 L981 Q982 L985 I1000 N1001 E1002 G1006 N1007 M1008 | L978-I1004 HydrophobicContact CB-CG2 4.39Å; L978-I1004 HydrophobicContact CD2-CG2 4.4Å; L981-I1004 HydrophobicContact CD2-CD1 3.8Å; L981-I1004 HydrophobicContact CD2-CG1 4.21Å; L981-I1004 HydrophobicContact CG-CD1 3.82Å; Q982-I1004 HydrophobicContact CB-CG2 3.87Å; Q982-I1004 HydrophobicContact CG-CG2 4.22Å; L985-I1004 HydrophobicContact CD1-CD1 3.46Å; L985-I1004 VanDerWaalsContact CD1-CD1 3.46Å; I1000-I1004 HydrophobicContact CG2-CD1 3.76Å; I1000-I1004 HydrophobicContact CG2-CG1 4.48Å; I1000-I1004 VanDerWaalsContact O-CG1 3.31Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.18Å; I1000-I1004 PolarHBondContact O-N 2.89Å; N1001-I1004 PolarHBondContact O-N 3.29Å; E1002-I1004 VanDerWaalsContact C-N 3.35Å; E1002-I1004 PolarHBondContact O-N 3.28Å; I1004-G1006 PolarHBondContact O-N 3.05Å; I1004-N1007 WeakPolarHBondContact O-CB 3.28Å; I1004-N1007 PolarHBondContact O-N 2.95Å; I1004-N1007 VanDerWaalsContact O-N 3.14Å; I1004-M1008 HydrophobicContact CG2-CG 4.35Å; I1004-M1008 HydrophobicContact CG2-SD 3.74Å; I1004-M1008 WeakPolarHBondContact O-CB 3.44Å; I1004-M1008 WeakPolarHBondContact O-CG 3.39Å; I1004-M1008 PolarHBondContact O-N 3.45Å |
| 1005 | Q | 96.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 77.9 Ų | 77.9 | 36% | 0.355 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 174.5 | -73.5 | 173.7 | 85.4 | 0 | 0 | 111.7 | N1001 E1002 N1007 M1008 Q1009 | N1001-Q1005 WeakPolarHBondContact O-CG 3.44Å; N1001-Q1005 PolarHBondContact O-N 3.03Å; N1001-Q1005 PolarHBondContact O-NE2 3.11Å; N1001-Q1005 PolarHBondContact OD1-NE2 3.47Å; E1002-Q1005 PolarHBondContact O-N 3.48Å; E1002-Q1005 PolarHBondContact OE1-NE2 3.1Å; Q1005-N1007 VanDerWaalsContact C-N 3.29Å; Q1005-N1007 PolarHBondContact O-N 2.9Å; Q1005-M1008 PolarHBondContact O-N 3.06Å; Q1005-Q1009 WeakPolarHBondContact O-CB 3.48Å; Q1005-Q1009 PolarHBondContact O-N 3.07Å |
| 1006 | G | 97.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 76.4 Ų | 76.4 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -35 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | E1002 I1004 R1010 | E1002-G1006 PolarHBondContact O-N 3.46Å; I1004-G1006 PolarHBondContact O-N 3.05Å; G1006-R1010 WeakPolarHBondContact O-CG 3.36Å; G1006-R1010 PolarHBondContact O-N 2.8Å; G1006-R1010 VanDerWaalsContact O-N 3.16Å |
| 1007 | N | 98 | Very high | 95.8 | Very high | 50 Ų | 50 | 76.3 Ų | 76.3 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.9 | -47.6 | 172.2 | -66.5 | -22.3 | 0 | 0 | 0 | 111.5 | L978 L1003 I1004 Q1005 Q1009 R1010 C1011 | L978-N1007 HydrophobicContact CD1-CB 3.71Å; L978-N1007 HydrophobicContact CD2-CB 4.19Å; L1003-N1007 WeakPolarHBondContact O-CB 3.34Å; L1003-N1007 PolarHBondContact O-N 3.49Å; L1003-N1007 PolarHBondContact O-ND2 3.47Å; L1003-N1007 VanDerWaalsContact O-ND2 3.13Å; L1003-N1007 PolarHBondContact O-OD1 3.16Å; I1004-N1007 WeakPolarHBondContact O-CB 3.28Å; I1004-N1007 PolarHBondContact O-N 2.95Å; I1004-N1007 VanDerWaalsContact O-N 3.14Å; Q1005-N1007 VanDerWaalsContact C-N 3.29Å; Q1005-N1007 PolarHBondContact O-N 2.9Å; N1007-Q1009 VanDerWaalsContact C-N 3.3Å; N1007-Q1009 PolarHBondContact O-N 3.06Å; N1007-R1010 PolarHBondContact O-N 3.22Å; N1007-R1010 VanDerWaalsContact O-N 3.1Å; N1007-R1010 PolarHBondContact OD1-NH2 3.3Å; N1007-C1011 PolarHBondContact O-N 2.73Å; N1007-C1011 PolarHBondContact O-SG 3.13Å |
| 1008 | M | 97.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.059 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61 | -36.2 | 178.3 | -73 | 171.8 | 76 | 0 | 0 | 112.5 | Y975 L978 Q982 I1004 Q1005 K1012 | Y975-M1008 HydrophobicContact CD2-CB 4.06Å; Y975-M1008 HydrophobicContact CD2-CG 4.26Å; Y975-M1008 HydrophobicContact CE1-CE 4.34Å; Y975-M1008 HydrophobicContact CE2-CB 3.77Å; Y975-M1008 HydrophobicContact CE2-CE 3.87Å; Y975-M1008 HydrophobicContact CE2-CG 4.14Å; L978-M1008 HydrophobicContact CB-CG 3.5Å; L978-M1008 VanDerWaalsContact CB-CG 3.5Å; L978-M1008 HydrophobicContact CB-SD 4.09Å; L978-M1008 HydrophobicContact CD1-CG 4.12Å; L978-M1008 HydrophobicContact CG-CG 4.42Å; Q982-M1008 HydrophobicContact CB-SD 4.39Å; I1004-M1008 HydrophobicContact CG2-CG 4.35Å; I1004-M1008 HydrophobicContact CG2-SD 3.74Å; I1004-M1008 WeakPolarHBondContact O-CB 3.44Å; I1004-M1008 WeakPolarHBondContact O-CG 3.39Å; I1004-M1008 PolarHBondContact O-N 3.45Å; Q1005-M1008 PolarHBondContact O-N 3.06Å; M1008-K1012 PolarHBondContact O-N 3.28Å |
| 1009 | Q | 98.2 | Very high | 96.7 | Very high | 144 Ų | 144 | 72.6 Ų | 72.6 | 67% | 0.673 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.8 | -41.4 | 173.3 | -167.8 | -177.7 | 29.7 | 0 | 0 | 111.7 | Q1005 N1007 K1012 L1013 | Q1005-Q1009 WeakPolarHBondContact O-CB 3.48Å; Q1005-Q1009 PolarHBondContact O-N 3.07Å; N1007-Q1009 VanDerWaalsContact C-N 3.3Å; N1007-Q1009 PolarHBondContact O-N 3.06Å; Q1009-K1012 PolarHBondContact O-N 2.88Å; Q1009-L1013 PolarHBondContact O-N 3.24Å |
| 1010 | R | 98.1 | Very high | 97 | Very high | 158 Ų | 158 | 71.3 Ų | 71.3 | 60% | 0.596 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 174.1 | -71 | -172.7 | -57.9 | 131.1 | -6.9 | 112 | G1006 N1007 K1012 L1013 V1014 | G1006-R1010 WeakPolarHBondContact O-CG 3.36Å; G1006-R1010 PolarHBondContact O-N 2.8Å; G1006-R1010 VanDerWaalsContact O-N 3.16Å; N1007-R1010 PolarHBondContact O-N 3.22Å; N1007-R1010 VanDerWaalsContact O-N 3.1Å; N1007-R1010 PolarHBondContact OD1-NH2 3.3Å; R1010-K1012 PolarHBondContact O-N 3.33Å; R1010-L1013 PolarHBondContact O-N 3Å; R1010-V1014 WeakPolarHBondContact O-CG2 3.37Å; R1010-V1014 PolarHBondContact O-N 3.41Å |
| 1011 | C | 98 | Very high | 97.2 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.6 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | E971 Y975 N1007 V1014 M1015 | E971-C1011 HydrophobicContact CG-CB 4.1Å; E971-C1011 WeakPolarHBondContact CG-O 3.36Å; E971-C1011 WeakPolarHBondContact OE1-CA 3.49Å; E971-C1011 PolarHBondContact OE1-SG 2.92Å; Y975-C1011 HydrophobicContact CD2-CB 4.17Å; N1007-C1011 PolarHBondContact O-N 2.73Å; N1007-C1011 PolarHBondContact O-SG 3.13Å; C1011-V1014 PolarHBondContact O-N 2.92Å; C1011-M1015 VanDerWaalsContact O-CB 3.28Å; C1011-M1015 WeakPolarHBondContact O-CB 3.38Å; C1011-M1015 PolarHBondContact O-N 3.37Å |
| 1012 | K | 97.7 | Very high | 97.5 | Very high | 103 Ų | 103 | 71.6 Ų | 71.6 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57 | -55.1 | 170.9 | -80.3 | 169.4 | 170.3 | 158.7 | 0 | 111.5 | Y975 M1008 Q1009 R1010 V1014 M1015 D1016 | Y975-K1012 HydrophobicContact CD2-CG 4.11Å; Y975-K1012 HydrophobicContact CE2-CD 3.89Å; Y975-K1012 HydrophobicContact CE2-CG 3.8Å; Y975-K1012 VanDerWaalsContact OH-CE 3.23Å; Y975-K1012 WeakPolarHBondContact OH-CE 3.43Å; Y975-K1012 PolarHBondContact OH-NZ 3.42Å; M1008-K1012 PolarHBondContact O-N 3.28Å; Q1009-K1012 PolarHBondContact O-N 2.88Å; R1010-K1012 PolarHBondContact O-N 3.33Å; K1012-V1014 VanDerWaalsContact C-N 3.31Å; K1012-V1014 PolarHBondContact O-N 3.05Å; K1012-M1015 WeakPolarHBondContact O-CB 3.31Å; K1012-M1015 PolarHBondContact O-N 2.86Å; K1012-D1016 PolarHBondContact O-N 2.92Å |
| 1013 | L | 98 | Very high | 97.6 | Very high | 94 Ų | 94 | 70.1 Ų | 70.1 | 49% | 0.492 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.3 | -39.8 | -179 | -178.2 | 64.1 | 0 | 0 | 0 | 112.8 | Q1009 R1010 Q1017 | Q1009-L1013 PolarHBondContact O-N 3.24Å; R1010-L1013 PolarHBondContact O-N 3Å; L1013-Q1017 HydrophobicContact CD1-CG 4.39Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.43Å; L1013-Q1017 VanDerWaalsContact O-CG 3.23Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.36Å; L1013-Q1017 PolarHBondContact O-N 3.48Å |
| 1014 | V | 98.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 68.3 Ų | 68.3 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 175.3 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | E971 R1010 C1011 K1012 D1016 Q1017 V1018 | E971-V1014 HydrophobicContact CG-CB 4.08Å; E971-V1014 HydrophobicContact CG-CG1 3.87Å; R1010-V1014 WeakPolarHBondContact O-CG2 3.37Å; R1010-V1014 PolarHBondContact O-N 3.41Å; C1011-V1014 PolarHBondContact O-N 2.92Å; K1012-V1014 VanDerWaalsContact C-N 3.31Å; K1012-V1014 PolarHBondContact O-N 3.05Å; V1014-D1016 VanDerWaalsContact C-N 3.35Å; V1014-D1016 PolarHBondContact O-N 3.17Å; V1014-Q1017 PolarHBondContact O-N 3.27Å; V1014-V1018 HydrophobicContact CG1-CG2 4.21Å; V1014-V1018 VanDerWaalsContact O-CB 3.31Å; V1014-V1018 WeakPolarHBondContact O-CB 3.41Å; V1014-V1018 WeakPolarHBondContact O-CG2 3.18Å; V1014-V1018 PolarHBondContact O-N 3.46Å |
| 1015 | M | 97.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 70 Ų | 70 | 15% | 0.148 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.1 | -162.9 | -176.1 | -44.6 | 0 | 0 | 111.8 | H972 C1011 K1012 T1019 | H972-M1015 HydrophobicContact CB-CE 3.74Å; H972-M1015 HydrophobicContact CB-SD 4.1Å; C1011-M1015 VanDerWaalsContact O-CB 3.28Å; C1011-M1015 WeakPolarHBondContact O-CB 3.38Å; C1011-M1015 PolarHBondContact O-N 3.37Å; K1012-M1015 WeakPolarHBondContact O-CB 3.31Å; K1012-M1015 PolarHBondContact O-N 2.86Å; M1015-T1019 WeakPolarHBondContact O-CB 3.37Å; M1015-T1019 PolarHBondContact O-N 3.49Å; M1015-T1019 VanDerWaalsContact O-N 3.08Å; M1015-T1019 PolarHBondContact O-OG1 2.96Å |
| 1016 | D | 98 | Very high | 97.7 | Very high | 106 Ų | 106 | 68.9 Ų | 68.9 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.1 | -50.5 | 175.1 | -66 | -30.1 | 0 | 0 | 0 | 111.1 | K1012 V1014 V1018 T1019 E1020 | K1012-D1016 PolarHBondContact O-N 2.92Å; V1014-D1016 VanDerWaalsContact C-N 3.35Å; V1014-D1016 PolarHBondContact O-N 3.17Å; D1016-V1018 PolarHBondContact O-N 3.42Å; D1016-T1019 CarbonylContact O-C 3.59Å; D1016-T1019 WeakPolarHBondContact O-CB 3.44Å; D1016-T1019 PolarHBondContact O-N 3.19Å; D1016-T1019 VanDerWaalsContact O-N 3.1Å; D1016-E1020 PolarHBondContact O-N 3.33Å |
| 1017 | Q | 98.1 | Very high | 97.7 | Very high | 108 Ų | 108 | 73.6 Ų | 73.6 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 178.9 | -74.9 | 176.6 | 5.5 | 0 | 0 | 113 | L1013 V1014 T1019 E1020 A1021 | L1013-Q1017 HydrophobicContact CD1-CG 4.39Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.43Å; L1013-Q1017 VanDerWaalsContact O-CG 3.23Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.36Å; L1013-Q1017 PolarHBondContact O-N 3.48Å; V1014-Q1017 PolarHBondContact O-N 3.27Å; Q1017-T1019 VanDerWaalsContact C-N 3.29Å; Q1017-T1019 PolarHBondContact O-N 2.92Å; Q1017-E1020 PolarHBondContact O-N 2.86Å; Q1017-A1021 WeakPolarHBondContact O-CB 3.49Å; Q1017-A1021 PolarHBondContact O-N 2.83Å |
| 1018 | V | 98.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 74.9 Ų | 74.9 | 12% | 0.121 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.6 | -34 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 111 | L964 L967 V1014 D1016 R1022 | L964-V1018 HydrophobicContact CB-CG1 4.04Å; L964-V1018 HydrophobicContact CD2-CG1 4.34Å; L964-V1018 WeakPolarHBondContact O-CG1 3.42Å; L967-V1018 HydrophobicContact CB-CG1 4.38Å; L967-V1018 HydrophobicContact CD2-CG1 4.36Å; L967-V1018 HydrophobicContact CD2-CG2 3.88Å; L967-V1018 HydrophobicContact CG-CG1 4.46Å; L967-V1018 HydrophobicContact CG-CG2 4.33Å; V1014-V1018 HydrophobicContact CG1-CG2 4.21Å; V1014-V1018 VanDerWaalsContact O-CB 3.31Å; V1014-V1018 WeakPolarHBondContact O-CB 3.41Å; V1014-V1018 WeakPolarHBondContact O-CG2 3.18Å; V1014-V1018 PolarHBondContact O-N 3.46Å; D1016-V1018 PolarHBondContact O-N 3.42Å; V1018-R1022 VanDerWaalsContact O-CB 3.27Å; V1018-R1022 WeakPolarHBondContact O-CB 3.43Å; V1018-R1022 PolarHBondContact O-N 2.85Å |
| 1019 | T | 97.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 75.5 Ų | 75.5 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | M1015 D1016 Q1017 R1022 D1023 | M1015-T1019 WeakPolarHBondContact O-CB 3.37Å; M1015-T1019 PolarHBondContact O-N 3.49Å; M1015-T1019 VanDerWaalsContact O-N 3.08Å; M1015-T1019 PolarHBondContact O-OG1 2.96Å; D1016-T1019 CarbonylContact O-C 3.59Å; D1016-T1019 WeakPolarHBondContact O-CB 3.44Å; D1016-T1019 PolarHBondContact O-N 3.19Å; D1016-T1019 VanDerWaalsContact O-N 3.1Å; Q1017-T1019 VanDerWaalsContact C-N 3.29Å; Q1017-T1019 PolarHBondContact O-N 2.92Å; T1019-R1022 WeakPolarHBondContact O-CB 3.47Å; T1019-R1022 PolarHBondContact O-N 2.74Å; T1019-D1023 WeakPolarHBondContact O-CB 3.31Å; T1019-D1023 PolarHBondContact O-N 3.4Å |
| 1020 | E | 97.6 | Very high | 97.1 | Very high | 134 Ų | 134 | 74.6 Ų | 74.6 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.6 | -44.3 | 174 | -169.1 | -171 | 177.4 | 0 | 0 | 111.7 | D1016 Q1017 R1022 D1023 T1024 | D1016-E1020 PolarHBondContact O-N 3.33Å; Q1017-E1020 PolarHBondContact O-N 2.86Å; E1020-R1022 VanDerWaalsContact C-N 3.32Å; E1020-R1022 PolarHBondContact O-N 2.99Å; E1020-D1023 PolarHBondContact O-N 3.2Å; E1020-T1024 HydrophobicContact CG-CG2 4.15Å; E1020-T1024 WeakPolarHBondContact O-CB 3.42Å; E1020-T1024 WeakPolarHBondContact O-CG2 3.19Å; E1020-T1024 PolarHBondContact O-N 3.42Å; E1020-T1024 PolarHBondContact O-OG1 3.21Å |
| 1021 | A | 98 | Very high | 96.9 | Very high | 45 Ų | 45 | 71.7 Ų | 71.7 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L964 Q1017 T1024 M1025 | L964-A1021 HydrophobicContact CD1-CB 4.45Å; Q1017-A1021 WeakPolarHBondContact O-CB 3.49Å; Q1017-A1021 PolarHBondContact O-N 2.83Å; A1021-T1024 WeakPolarHBondContact CA-OG1 3.33Å; A1021-T1024 PolarHBondContact O-OG1 3.37Å; A1021-M1025 WeakPolarHBondContact O-CB 3.44Å; A1021-M1025 PolarHBondContact O-N 3.14Å; A1021-M1025 VanDerWaalsContact O-N 3.14Å |
| 1022 | R | 97.7 | Very high | 96.7 | Very high | 82 Ų | 82 | 73.6 Ų | 73.6 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 172 | 172.3 | -172.9 | 173 | -96.2 | 9.3 | 111.4 | A961 L964 V1018 T1019 E1020 M1025 M1026 | A961-R1022 HydrophobicContact CB-CG 4.02Å; L964-R1022 HydrophobicContact CB-CB 4.1Å; L964-R1022 HydrophobicContact CD1-CB 3.97Å; V1018-R1022 VanDerWaalsContact O-CB 3.27Å; V1018-R1022 WeakPolarHBondContact O-CB 3.43Å; V1018-R1022 PolarHBondContact O-N 2.85Å; T1019-R1022 WeakPolarHBondContact O-CB 3.47Å; T1019-R1022 PolarHBondContact O-N 2.74Å; E1020-R1022 VanDerWaalsContact C-N 3.32Å; E1020-R1022 PolarHBondContact O-N 2.99Å; R1022-M1025 PolarHBondContact O-N 2.98Å; R1022-M1026 WeakPolarHBondContact O-CB 3.23Å; R1022-M1026 WeakPolarHBondContact O-CG 3.35Å; R1022-M1026 PolarHBondContact O-N 3.33Å |
| 1023 | D | 97.3 | Very high | 96.5 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 34% | 0.337 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -79.1 | -34.8 | -170.7 | -71.6 | 5 | 0 | 0 | 0 | 112.1 | T1019 E1020 M1026 K1027 | T1019-D1023 WeakPolarHBondContact O-CB 3.31Å; T1019-D1023 PolarHBondContact O-N 3.4Å; E1020-D1023 PolarHBondContact O-N 3.2Å; D1023-M1026 PolarHBondContact O-N 3.11Å; D1023-K1027 WeakPolarHBondContact O-CG 3.21Å; D1023-K1027 PolarHBondContact O-N 2.84Å |
| 1024 | T | 96.4 | Very high | 96.3 | Very high | 62 Ų | 62 | 75.5 Ų | 75.5 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 168.7 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | E1020 A1021 M1026 K1027 | E1020-T1024 HydrophobicContact CG-CG2 4.15Å; E1020-T1024 WeakPolarHBondContact O-CB 3.42Å; E1020-T1024 WeakPolarHBondContact O-CG2 3.19Å; E1020-T1024 PolarHBondContact O-N 3.42Å; E1020-T1024 PolarHBondContact O-OG1 3.21Å; A1021-T1024 WeakPolarHBondContact CA-OG1 3.33Å; A1021-T1024 PolarHBondContact O-OG1 3.37Å; T1024-M1026 VanDerWaalsContact C-N 3.32Å; T1024-M1026 PolarHBondContact O-N 2.88Å; T1024-K1027 PolarHBondContact O-N 3.35Å |
| 1025 | M | 96.9 | Very high | 96.1 | Very high | 42 Ų | 42 | 75.2 Ų | 75.2 | 21% | 0.207 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 171.5 | 175.6 | 176.5 | 52.6 | 0 | 0 | 112.3 | I957 C960 A961 L964 A1021 R1022 V1028 | I957-M1025 HydrophobicContact CG1-CG 4.44Å; I957-M1025 HydrophobicContact CG2-CG 3.97Å; C960-M1025 HydrophobicContact CB-CE 3.77Å; C960-M1025 HydrophobicContact CB-SD 3.73Å; C960-M1025 VanDerWaalsContact SG-SD 3.69Å; A961-M1025 HydrophobicContact CB-CE 4.08Å; L964-M1025 HydrophobicContact CD1-CE 3.55Å; L964-M1025 HydrophobicContact CG-CE 4.42Å; A1021-M1025 WeakPolarHBondContact O-CB 3.44Å; A1021-M1025 PolarHBondContact O-N 3.14Å; A1021-M1025 VanDerWaalsContact O-N 3.14Å; R1022-M1025 PolarHBondContact O-N 2.98Å; M1025-V1028 VanDerWaalsContact O-CB 3.32Å; M1025-V1028 WeakPolarHBondContact O-CB 3.38Å; M1025-V1028 WeakPolarHBondContact O-CG2 3.31Å; M1025-V1028 PolarHBondContact O-N 3Å |
| 1026 | M | 96.8 | Very high | 95.8 | Very high | 54 Ų | 54 | 75.4 Ų | 75.4 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 176.8 | -80.4 | -65.1 | -52.9 | 0 | 0 | 113.2 | I957 A961 R1022 D1023 T1024 V1028 L1029 | I957-M1026 HydrophobicContact CG2-SD 4.03Å; A961-M1026 HydrophobicContact CB-CG 3.91Å; A961-M1026 HydrophobicContact CB-SD 3.76Å; R1022-M1026 WeakPolarHBondContact O-CB 3.23Å; R1022-M1026 WeakPolarHBondContact O-CG 3.35Å; R1022-M1026 PolarHBondContact O-N 3.33Å; D1023-M1026 PolarHBondContact O-N 3.11Å; T1024-M1026 VanDerWaalsContact C-N 3.32Å; T1024-M1026 PolarHBondContact O-N 2.88Å; M1026-V1028 PolarHBondContact O-N 2.89Å; M1026-L1029 HydrophobicContact CE-CD1 4.35Å; M1026-L1029 WeakPolarHBondContact O-CB 3.48Å; M1026-L1029 PolarHBondContact O-N 3.42Å |
| 1027 | K | 96.8 | Very high | 95.6 | Very high | 126 Ų | 126 | 76.4 Ų | 76.4 | 55% | 0.548 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.8 | -22 | 174.8 | -71.8 | 166.6 | -167.9 | 170.5 | 0 | 113.5 | D1023 T1024 L1029 D1030 | D1023-K1027 WeakPolarHBondContact O-CG 3.21Å; D1023-K1027 PolarHBondContact O-N 2.84Å; T1024-K1027 PolarHBondContact O-N 3.35Å; K1027-L1029 PolarHBondContact O-N 2.91Å; K1027-L1029 VanDerWaalsContact O-N 3.09Å; K1027-D1030 WeakPolarHBondContact CA-OD2 3.3Å; K1027-D1030 WeakPolarHBondContact O-CB 3.29Å; K1027-D1030 VanDerWaalsContact O-CG 3.23Å; K1027-D1030 PolarHBondContact O-N 3.45Å; K1027-D1030 VanDerWaalsContact O-N 3.07Å |
| 1028 | V | 93.4 | Very high | 95.3 | Very high | 77 Ų | 77 | 75.1 Ų | 75.1 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -20.1 | 171.2 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | I957 M1025 M1026 H1031 | I957-V1028 HydrophobicContact CD1-CB 4.28Å; I957-V1028 HydrophobicContact CD1-CG1 4.03Å; M1025-V1028 VanDerWaalsContact O-CB 3.32Å; M1025-V1028 WeakPolarHBondContact O-CB 3.38Å; M1025-V1028 WeakPolarHBondContact O-CG2 3.31Å; M1025-V1028 PolarHBondContact O-N 3Å; M1026-V1028 PolarHBondContact O-N 2.89Å; V1028-H1031 PolarHBondContact O-CE1 3.36Å; V1028-H1031 PolarHBondContact O-ND1 2.91Å |
| 1029 | L | 94.9 | Very high | 95 | Very high | 26 Ų | 26 | 74.6 Ų | 74.6 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -6.2 | 177.1 | -57.3 | -177.1 | 0 | 0 | 0 | 114.5 | I957 H958 M1026 K1027 H1031 K1032 | I957-L1029 HydrophobicContact CB-CD1 4.18Å; I957-L1029 HydrophobicContact CB-CG 4.47Å; I957-L1029 HydrophobicContact CD1-CD2 3.84Å; I957-L1029 HydrophobicContact CD1-CG 4.35Å; I957-L1029 HydrophobicContact CG2-CD1 3.72Å; I957-L1029 HydrophobicContact CG2-CG 3.96Å; H958-L1029 WeakPolarHBondContact NE2-CD1 3.49Å; M1026-L1029 HydrophobicContact CE-CD1 4.35Å; M1026-L1029 WeakPolarHBondContact O-CB 3.48Å; M1026-L1029 PolarHBondContact O-N 3.42Å; K1027-L1029 PolarHBondContact O-N 2.91Å; K1027-L1029 VanDerWaalsContact O-N 3.09Å; L1029-H1031 PolarHBondContact O-N 3.12Å; L1029-H1031 VanDerWaalsContact O-N 3.11Å; L1029-K1032 WeakPolarHBondContact O-CB 3.48Å; L1029-K1032 PolarHBondContact O-N 2.78Å |
| 1030 | D | 94.8 | Very high | 94.7 | Very high | 125 Ų | 125 | 77.2 Ų | 77.2 | 67% | 0.668 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29 | -178.3 | -61.8 | -12.2 | 0 | 0 | 0 | 112.7 | K1027 | K1027-D1030 WeakPolarHBondContact CA-OD2 3.3Å; K1027-D1030 WeakPolarHBondContact O-CB 3.29Å; K1027-D1030 VanDerWaalsContact O-CG 3.23Å; K1027-D1030 PolarHBondContact O-N 3.45Å; K1027-D1030 VanDerWaalsContact O-N 3.07Å |
| 1031 | H | 93.8 | Very high | 94.4 | Very high | 96 Ų | 96 | 78.8 Ų | 78.8 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4.2 | 177.6 | 71.2 | -69 | 0 | 0 | 0 | 113.9 | V1028 L1029 E1033 K1034 V1035 | V1028-H1031 PolarHBondContact O-CE1 3.36Å; V1028-H1031 PolarHBondContact O-ND1 2.91Å; L1029-H1031 PolarHBondContact O-N 3.12Å; L1029-H1031 VanDerWaalsContact O-N 3.11Å; H1031-E1033 VanDerWaalsContact C-N 3.32Å; H1031-E1033 PolarHBondContact O-N 3.37Å; H1031-K1034 HydrophobicContact CB-CD 4.48Å; H1031-K1034 WeakPolarHBondContact O-CA 3.44Å; H1031-K1034 WeakPolarHBondContact O-CB 3.45Å; H1031-K1034 PolarHBondContact O-N 3.07Å; H1031-V1035 WeakPolarHBondContact CD2-CG2 3.37Å; H1031-V1035 PolarHBondContact O-N 2.88Å |
| 1032 | K | 93.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 79 Ų | 79 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -46.5 | -49.5 | 178.3 | 167.2 | 176.1 | 166.6 | -77.7 | 0 | 113 | L1029 K1034 V1035 L1036 | L1029-K1032 WeakPolarHBondContact O-CB 3.48Å; L1029-K1032 PolarHBondContact O-N 2.78Å; K1032-K1034 VanDerWaalsContact C-N 3.31Å; K1032-K1034 PolarHBondContact O-N 3.32Å; K1032-V1035 PolarHBondContact O-N 3.39Å; K1032-L1036 VanDerWaalsContact O-CB 3.32Å; K1032-L1036 WeakPolarHBondContact O-CB 3.44Å; K1032-L1036 PolarHBondContact O-N 3.47Å |
| 1033 | E | 93.8 | Very high | 93.2 | Very high | 86 Ų | 86 | 76 Ų | 76 | 40% | 0.402 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.8 | -29.8 | -178.5 | -66.9 | -51.2 | 125.6 | 0 | 0 | 113 | H1031 K1037 | H1031-E1033 VanDerWaalsContact C-N 3.32Å; H1031-E1033 PolarHBondContact O-N 3.37Å; E1033-K1037 VanDerWaalsContact O-CB 3.28Å; E1033-K1037 WeakPolarHBondContact O-CB 3.28Å; E1033-K1037 VanDerWaalsContact O-CD 3.3Å; E1033-K1037 WeakPolarHBondContact O-CD 3.42Å; E1033-K1037 WeakPolarHBondContact O-CG 3.46Å; E1033-K1037 PolarHBondContact O-N 3.24Å |
| 1034 | K | 93.8 | Very high | 91.6 | Very high | 152 Ų | 152 | 76 Ų | 76 | 66% | 0.661 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.4 | -44.4 | 173.7 | -58.8 | 173.2 | -176.9 | 170.9 | 0 | 109.8 | H1031 K1032 K1037 L1038 | H1031-K1034 HydrophobicContact CB-CD 4.48Å; H1031-K1034 WeakPolarHBondContact O-CA 3.44Å; H1031-K1034 WeakPolarHBondContact O-CB 3.45Å; H1031-K1034 PolarHBondContact O-N 3.07Å; K1032-K1034 VanDerWaalsContact C-N 3.31Å; K1032-K1034 PolarHBondContact O-N 3.32Å; K1034-K1037 PolarHBondContact O-N 3Å; K1034-L1038 WeakPolarHBondContact O-CG 3.48Å; K1034-L1038 PolarHBondContact O-N 3.12Å |
| 1035 | V | 93 | Very high | 89.7 | Confident | 45 Ų | 45 | 79 Ų | 79 | 27% | 0.273 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | A952 H1031 K1032 K1037 L1038 L1039 | A952-V1035 HydrophobicContact CB-CG1 4.2Å; H1031-V1035 WeakPolarHBondContact CD2-CG2 3.37Å; H1031-V1035 PolarHBondContact O-N 2.88Å; K1032-V1035 PolarHBondContact O-N 3.39Å; V1035-K1037 PolarHBondContact O-N 2.86Å; V1035-L1038 WeakPolarHBondContact O-CB 3.23Å; V1035-L1038 PolarHBondContact O-N 3.19Å; V1035-L1038 VanDerWaalsContact O-N 3.14Å; V1035-L1039 HydrophobicContact CG1-CD1 3.76Å; V1035-L1039 HydrophobicContact CG1-CG 4.19Å; V1035-L1039 WeakPolarHBondContact O-CG 3.28Å; V1035-L1039 PolarHBondContact O-N 2.99Å |
| 1036 | L | 92.2 | Very high | 87.7 | Confident | 35 Ų | 35 | 85 Ų | 85 | 18% | 0.183 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 179.9 | -174.1 | 59.5 | 0 | 0 | 0 | 111.5 | A949 K1032 L1038 L1039 N1040 | A949-L1036 HydrophobicContact CB-CD1 3.72Å; K1032-L1036 VanDerWaalsContact O-CB 3.32Å; K1032-L1036 WeakPolarHBondContact O-CB 3.44Å; K1032-L1036 PolarHBondContact O-N 3.47Å; L1036-L1038 VanDerWaalsContact C-N 3.35Å; L1036-L1038 PolarHBondContact O-N 3.27Å; L1036-L1039 PolarHBondContact O-N 3.3Å; L1036-N1040 WeakPolarHBondContact O-CB 3.38Å; L1036-N1040 VanDerWaalsContact O-CG 3.23Å; L1036-N1040 PolarHBondContact O-N 3.36Å; L1036-N1040 PolarHBondContact O-ND2 3.03Å |
| 1037 | K | 92.8 | Very high | 85.4 | Confident | 127 Ų | 127 | 92.3 Ų | 92.3 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.9 | -37.7 | 172.1 | -73.7 | 167.9 | -172 | 176.8 | 0 | 112.3 | E1033 K1034 V1035 K1041 | E1033-K1037 VanDerWaalsContact O-CB 3.28Å; E1033-K1037 WeakPolarHBondContact O-CB 3.28Å; E1033-K1037 VanDerWaalsContact O-CD 3.3Å; E1033-K1037 WeakPolarHBondContact O-CD 3.42Å; E1033-K1037 WeakPolarHBondContact O-CG 3.46Å; E1033-K1037 PolarHBondContact O-N 3.24Å; K1034-K1037 PolarHBondContact O-N 3Å; V1035-K1037 PolarHBondContact O-N 2.86Å; K1037-K1041 WeakPolarHBondContact O-CB 3.49Å; K1037-K1041 WeakPolarHBondContact O-CD 3.34Å; K1037-K1041 WeakPolarHBondContact O-CG 3.44Å; K1037-K1041 PolarHBondContact O-N 3.02Å |
| 1038 | L | 92.7 | Very high | 83 | Confident | 81 Ų | 81 | 90.5 Ų | 90.5 | 42% | 0.424 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.7 | -48.1 | 173.5 | -72.2 | 169.6 | 0 | 0 | 0 | 112.1 | L939 K1034 V1035 L1036 N1040 K1041 N1042 | L939-L1038 HydrophobicContact CD2-CB 4.39Å; L939-L1038 HydrophobicContact CD2-CD2 4.31Å; K1034-L1038 WeakPolarHBondContact O-CG 3.48Å; K1034-L1038 PolarHBondContact O-N 3.12Å; V1035-L1038 WeakPolarHBondContact O-CB 3.23Å; V1035-L1038 PolarHBondContact O-N 3.19Å; V1035-L1038 VanDerWaalsContact O-N 3.14Å; L1036-L1038 VanDerWaalsContact C-N 3.35Å; L1036-L1038 PolarHBondContact O-N 3.27Å; L1038-N1040 VanDerWaalsContact C-N 3.27Å; L1038-N1040 PolarHBondContact O-N 3.21Å; L1038-K1041 PolarHBondContact O-N 2.65Å; L1038-N1042 WeakPolarHBondContact O-CB 3.4Å; L1038-N1042 PolarHBondContact O-N 2.85Å; L1038-N1042 PolarHBondContact O-OD1 3.48Å; L1038-N1042 VanDerWaalsContact O-OD1 3.1Å |
| 1039 | L | 92.1 | Very high | 80.5 | Confident | 8 Ų | 8 | 91.8 Ų | 91.8 | 4% | 0.042 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -58.8 | -38.1 | 177.3 | -68.6 | 170.2 | 0 | 0 | 0 | 112 | M942 A943 V948 A952 V1035 L1036 G1043 | M942-L1039 HydrophobicContact CG-CD2 4.28Å; A943-L1039 HydrophobicContact CB-CD2 4.18Å; A943-L1039 WeakPolarHBondContact CB-O 3.42Å; V948-L1039 HydrophobicContact CG1-CD1 4.31Å; V948-L1039 HydrophobicContact CG1-CD2 4.09Å; V948-L1039 HydrophobicContact CG2-CD1 3.93Å; V948-L1039 HydrophobicContact CG2-CD2 3.79Å; A952-L1039 HydrophobicContact CB-CD1 3.86Å; V1035-L1039 HydrophobicContact CG1-CD1 3.76Å; V1035-L1039 HydrophobicContact CG1-CG 4.19Å; V1035-L1039 WeakPolarHBondContact O-CG 3.28Å; V1035-L1039 PolarHBondContact O-N 2.99Å; L1036-L1039 PolarHBondContact O-N 3.3Å; L1039-G1043 PolarHBondContact O-N 2.99Å |
| 1040 | N | 89.8 | Confident | 77.9 | Confident | 108 Ų | 108 | 100.1 Ų | 100.1 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -73 | -38.1 | 176.5 | -70.7 | -18.7 | 0 | 0 | 0 | 112.7 | L1036 L1038 N1042 | L1036-N1040 WeakPolarHBondContact O-CB 3.38Å; L1036-N1040 VanDerWaalsContact O-CG 3.23Å; L1036-N1040 PolarHBondContact O-N 3.36Å; L1036-N1040 PolarHBondContact O-ND2 3.03Å; L1038-N1040 VanDerWaalsContact C-N 3.27Å; L1038-N1040 PolarHBondContact O-N 3.21Å; N1040-N1042 VanDerWaalsContact C-N 3.33Å |
| 1041 | K | 91 | Very high | 75.5 | Confident | 167 Ų | 167 | 101.7 Ų | 101.7 | 73% | 0.726 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -34.9 | 174 | -76.4 | 171.5 | -179.6 | -172 | 0 | 112.8 | K1037 L1038 | K1037-K1041 WeakPolarHBondContact O-CB 3.49Å; K1037-K1041 WeakPolarHBondContact O-CD 3.34Å; K1037-K1041 WeakPolarHBondContact O-CG 3.44Å; K1037-K1041 PolarHBondContact O-N 3.02Å; L1038-K1041 PolarHBondContact O-N 2.65Å |
| 1042 | N | 87.5 | Confident | 72.9 | Confident | 50 Ų | 50 | 105.7 Ų | 105.7 | 27% | 0.267 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -99.4 | -4.5 | -175.8 | -70.8 | 90.4 | 0 | 0 | 0 | 113.9 | L939 Q940 A943 L1038 N1040 | L939-N1042 HydrophobicContact CD2-CB 4.38Å; L939-N1042 VanDerWaalsContact CD2-OD1 3.27Å; L939-N1042 WeakPolarHBondContact CD2-OD1 3.47Å; L939-N1042 HydrophobicContact CG-CB 3.9Å; Q940-N1042 VanDerWaalsContact CD-O 3.25Å; Q940-N1042 PolarHBondContact NE2-O 3.33Å; Q940-N1042 PolarHBondContact OE1-O 3.27Å; A943-N1042 VanDerWaalsContact CB-C 3.44Å; A943-N1042 HydrophobicContact CB-CB 3.99Å; A943-N1042 WeakPolarHBondContact CB-O 3.2Å; L1038-N1042 WeakPolarHBondContact O-CB 3.4Å; L1038-N1042 PolarHBondContact O-N 2.85Å; L1038-N1042 PolarHBondContact O-OD1 3.48Å; L1038-N1042 VanDerWaalsContact O-OD1 3.1Å; N1040-N1042 VanDerWaalsContact C-N 3.33Å |
| 1043 | G | 83.4 | Confident | 70.8 | Confident | 20 Ų | 20 | 114.8 Ų | 114.8 | 21% | 0.206 | 56% | 0.563 | C | S | . | * | S | Bend | trans | -71 | 138.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1039 V1045 | L1039-G1043 PolarHBondContact O-N 2.99Å; G1043-V1045 PolarHBondContact O-N 3.32Å; G1043-V1045 VanDerWaalsContact O-N 3.08Å |
| 1044 | T | 64 | Low | 68.6 | Low | 61 Ų | 61 | 120 Ų | 120 | 37% | 0.374 | 58% | 0.584 | S | S | . | * | | | trans | -64.1 | 118.6 | -179.3 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | N944 K1046 | N944-T1044 PolarHBondContact OD1-N 3.18Å; N944-T1044 VanDerWaalsContact OD1-N 3.16Å; N944-T1044 PolarHBondContact OD1-OG1 2.75Å; T1044-K1046 HydrophobicContact CG2-CD 4.22Å; T1044-K1046 PolarHBondContact O-N 3.13Å |
| 1045 | V | 56.3 | Low | 66.2 | Low | 127 Ų | 127 | 120.5 Ų | 120.5 | 77% | 0.77 | 59% | 0.588 | S | S | * | * | | | trans | -71.9 | 65.4 | 168 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | G1043 | G1043-V1045 PolarHBondContact O-N 3.32Å; G1043-V1045 VanDerWaalsContact O-N 3.08Å |
| 1046 | K | 54.4 | Low | 63.9 | Low | 166 Ų | 166 | 130.4 Ų | 130.4 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | | | trans | -125.9 | 53.1 | -172.3 | -76.1 | -174.6 | 177.5 | 177.1 | 0 | 112.5 | T1044 | T1044-K1046 HydrophobicContact CG2-CD 4.22Å; T1044-K1046 PolarHBondContact O-N 3.13Å |
| 1047 | K | 50 | Low | 61.4 | Low | 209 Ų | 209 | 136.6 Ų | 136.6 | 91% | 0.909 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -170.4 | 65.7 | 157.4 | -103.4 | 151.9 | -173.3 | -175.9 | 0 | 113.3 | | |
| 1048 | S | 45.2 | Very low | 59.9 | Low | 87 Ų | 87 | 137.1 Ų | 137.1 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -144.6 | -53.9 | 162.6 | 56 | 0 | 0 | 0 | 0 | 110.5 | K1050 L1051 | S1048-K1050 PolarHBondContact O-N 3.48Å; S1048-L1051 PolarHBondContact O-N 3.11Å; S1048-L1051 VanDerWaalsContact O-N 3.13Å |
| 1049 | S | 40.7 | Very low | 58.1 | Low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -49.7 | -31 | 177.1 | 168.3 | 0 | 0 | 0 | 0 | 115.2 | L1051 K1052 | S1049-L1051 VanDerWaalsContact C-N 3.31Å; S1049-L1051 PolarHBondContact O-N 3.44Å; S1049-K1052 PolarHBondContact O-N 3.1Å |
| 1050 | K | 41.9 | Very low | 56.3 | Low | 201 Ų | 201 | 147.3 Ų | 147.3 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -74.8 | -6.7 | -178.4 | -91 | -155.5 | 172.8 | -165.6 | 0 | 116 | S1048 | S1048-K1050 PolarHBondContact O-N 3.48Š|
| 1051 | L | 43.8 | Very low | 54.3 | Low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -82.8 | -29.7 | 174.1 | -152.1 | 72.9 | 0 | 0 | 0 | 112.4 | S1048 S1049 R1053 | S1048-L1051 PolarHBondContact O-N 3.11Å; S1048-L1051 VanDerWaalsContact O-N 3.13Å; S1049-L1051 VanDerWaalsContact C-N 3.31Å; S1049-L1051 PolarHBondContact O-N 3.44Å; L1051-R1053 PolarHBondContact O-N 2.73Å |
| 1052 | K | 40 | Very low | 52 | Low | 180 Ų | 180 | 148.6 Ų | 148.6 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 31.9 | -172.5 | -145.6 | -178.9 | -174.7 | 178.9 | 0 | 115.2 | S1049 | S1049-K1052 PolarHBondContact O-N 3.1Š|
| 1053 | R | 48.5 | Very low | 49.6 | Very low | 238 Ų | 238 | 155.1 Ų | 155.1 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.6 | 26 | 174.1 | -151.6 | 176.8 | -179.7 | 158.8 | 1 | 113.7 | L1051 | L1051-R1053 PolarHBondContact O-N 2.73Š|
| 1054 | K | 48.3 | Very low | 47.2 | Very low | 196 Ų | 196 | 164.8 Ų | 164.8 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -132.4 | 46.8 | 164.4 | -157.2 | -161.2 | 174.5 | -168.6 | 0 | 111.3 | | |
| 1055 | E | 42.8 | Very low | 45.9 | Very low | 161 Ų | 161 | 172.8 Ų | 172.8 | 75% | 0.752 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -146.6 | 37.5 | 176.6 | -160.6 | -161.2 | 145 | 0 | 0 | 109.1 | | |
| 1056 | R | 44.5 | Very low | 45.1 | Very low | 254 Ų | 254 | 176.6 Ų | 176.6 | 96% | 0.958 | 86% | 0.856 | S | S | * | * | | | trans | -175.5 | 60.4 | 177.2 | -110.2 | 173.4 | -171.4 | -111.3 | 0.4 | 108.8 | | |
| 1057 | A | 40.7 | Very low | 44.2 | Very low | 164 Ų | 164 | 177.5 Ų | 177.5 | 100% | 1.355 | 87% | 0.868 | S | S | * | * | | | trans | -159.6 | 0 | 171.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |