| 1 | M | 42.9 | Very low | 40.6 | Very low | 244 Ų | 244 | 167.8 Ų | 167.8 | 100% | 1.202 | 84% | 0.841 | S | S | * | * | | | | 0 | 122.5 | 0 | -73.4 | 61.8 | 173.4 | 0 | 0 | 107 | | |
| 2 | E | 37.2 | Very low | 40.3 | Very low | 186 Ų | 186 | 161.9 Ų | 161.9 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | | | trans | -122.2 | 129.7 | 178.8 | -176.2 | -165.5 | 143.2 | 0 | 0 | 107.8 | | |
| 3 | V | 39.1 | Very low | 40.3 | Very low | 142 Ų | 142 | 163.6 Ų | 163.6 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | | | trans | -147.9 | 123.6 | 169 | -179 | 0 | 0 | 0 | 0 | 108.9 | | |
| 4 | A | 43.8 | Very low | 40.7 | Very low | 86 Ų | 86 | 160.5 Ų | 160.5 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | | | trans | -121.9 | 154.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 5 | P | 51.9 | Low | 40.5 | Very low | 119 Ų | 119 | 156 Ų | 156 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | | | trans | -129.5 | 125.7 | 147.1 | 33.3 | -21.2 | 0 | 0 | 0 | 111.1 | | |
| 6 | E | 38.9 | Very low | 40.2 | Very low | 177 Ų | 177 | 154.6 Ų | 154.6 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | | | | 81 | 142.1 | 65 | -105.2 | -70.9 | 71.5 | 0 | 0 | 115.8 | | |
| 7 | Q | 36 | Very low | 40 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | | | trans | -99 | 151.7 | -173.5 | -62.6 | -172.2 | 16.1 | 0 | 0 | 113.8 | R9 | Q7-R9 PolarHBondContact O-N 3.45Å; Q7-R9 VanDerWaalsContact O-N 3.15Å |
| 8 | P | 47.7 | Very low | 39.6 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | | | trans | -79.9 | 94.5 | 171.6 | 32.2 | -33.6 | 0 | 0 | 0 | 112.2 | | |
| 9 | R | 38.3 | Very low | 39.1 | Very low | 219 Ų | 219 | 149.9 Ų | 149.9 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | | | trans | -85.7 | 117.9 | 169.3 | -178.9 | 175.3 | 178.3 | 158.1 | -2.4 | 110.9 | Q7 M11 | Q7-R9 PolarHBondContact O-N 3.45Å; Q7-R9 VanDerWaalsContact O-N 3.15Å; R9-M11 PolarHBondContact O-N 2.75Å |
| 10 | W | 34.1 | Very low | 38.9 | Very low | 240 Ų | 240 | 151.2 Ų | 151.2 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -73.4 | 123.9 | 176.1 | -63.6 | 89.1 | 0 | 0 | 0 | 111.5 | | |
| 11 | M | 37.1 | Very low | 38.6 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | | | trans | -107.4 | 156.9 | 167.3 | -78.5 | -174.4 | 165.1 | 0 | 0 | 110.7 | R9 | R9-M11 PolarHBondContact O-N 2.75Š|
| 12 | A | 36.5 | Very low | 38.9 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -123.5 | 146.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 13 | H | 40 | Very low | 38.6 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | | | trans | -112.4 | 138.5 | -179.4 | -70.3 | -93.6 | 0 | 0 | 0 | 111.7 | | |
| 14 | P | 46.4 | Very low | 38.3 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | -110.9 | -175.6 | 170.4 | 40.7 | -32.7 | 0 | 0 | 0 | 113.3 | | |
| 15 | A | 36.9 | Very low | 38 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | 75.7 | 142.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 16 | V | 36.8 | Very low | 37.1 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | cis | 127.4 | 148.1 | -6.2 | 168 | 0 | 0 | 0 | 0 | 112.2 | | |
| 17 | L | 37 | Very low | 37.5 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | 106.5 | 155.8 | 173.9 | -60.3 | 173 | 0 | 0 | 0 | 115.8 | | |
| 18 | N | 32.4 | Very low | 37.2 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | | | cis | -172.8 | 135.9 | -42.6 | 179.3 | 56.5 | 0 | 0 | 0 | 110.5 | | |
| 19 | A | 30.7 | Very low | 36.6 | Very low | 86 Ų | 86 | 141.3 Ų | 141.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | 174.4 | 158.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 20 | Q | 33.5 | Very low | 36.3 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | cis | -174.6 | 162.4 | -46.9 | -108.7 | 170.6 | -80.1 | 0 | 0 | 106.3 | | |
| 21 | H | 33.5 | Very low | 36.4 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | | | trans | -60.6 | 176.1 | -169.9 | -121 | -133.9 | 0 | 0 | 0 | 115.7 | D23 | H21-D23 IonicContact CE1-OD1 3.8Å; H21-D23 PolarHBondContact CE1-OD1 3.39Å; H21-D23 IonicContact CE1-OD2 3.72Å; H21-D23 PolarHBondContact CE1-OD2 3.35Å; H21-D23 IonicContact CG-OD2 3.7Å; H21-D23 VanDerWaalsContact ND1-CG 3.28Å; H21-D23 IonicContact ND1-OD1 2.77Å; H21-D23 PolarHBondContact ND1-OD1 3.19Å; H21-D23 IonicContact ND1-OD2 3.74Å; H21-D23 PolarHBondContact ND1-OD2 2.91Å |
| 22 | P | 49.6 | Very low | 36 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | cis | -144.3 | 147 | 33.2 | 32.6 | -7.4 | 0 | 0 | 0 | 122.9 | | |
| 23 | D | 31.2 | Very low | 35.9 | Very low | 95 Ų | 95 | 135 Ų | 135 | 51% | 0.508 | 76% | 0.759 | S | S | . | * | | | | 55.7 | 129.6 | 129.2 | -60.2 | -70.4 | 0 | 0 | 0 | 125.9 | H21 | H21-D23 IonicContact CE1-OD1 3.8Å; H21-D23 PolarHBondContact CE1-OD1 3.39Å; H21-D23 IonicContact CE1-OD2 3.72Å; H21-D23 PolarHBondContact CE1-OD2 3.35Å; H21-D23 IonicContact CG-OD2 3.7Å; H21-D23 VanDerWaalsContact ND1-CG 3.28Å; H21-D23 IonicContact ND1-OD1 2.77Å; H21-D23 PolarHBondContact ND1-OD1 3.19Å; H21-D23 IonicContact ND1-OD2 3.74Å; H21-D23 PolarHBondContact ND1-OD2 2.91Å |
| 24 | S | 31 | Very low | 35.5 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 88% | 0.881 | 76% | 0.759 | S | S | * | * | | | trans | -171.4 | 156.6 | 133 | 19.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 25 | H | 39.2 | Very low | 35.2 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | | | trans | -130.4 | 145.1 | -161.2 | -86.1 | -98.9 | 0 | 0 | 0 | 116.5 | | |
| 26 | H | 31.9 | Very low | 35.6 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | | | trans | 61.2 | 172 | 146.2 | -79.3 | -57.9 | 0 | 0 | 0 | 120.9 | | |
| 27 | P | 46.8 | Very low | 35.4 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | | | cis | -127.1 | 169.8 | -23.7 | 27.4 | -6.7 | 0 | 0 | 0 | 114.4 | | |
| 28 | G | 29.6 | Very low | 35.3 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | | | trans | -88.2 | -165 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 29 | L | 35 | Very low | 35.5 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | | | trans | -172.9 | 172.3 | 154.7 | -106.2 | 170.8 | 0 | 0 | 0 | 110 | | |
| 30 | A | 32.5 | Very low | 35.8 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | | | trans | -146 | 144.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 31 | H | 35.8 | Very low | 36.5 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | trans | -179 | 143.8 | 139.5 | -110.5 | -132.8 | 0 | 0 | 0 | 114.3 | | |
| 32 | N | 30.5 | Very low | 37.1 | Very low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | | | trans | 23.9 | 124.3 | 143.8 | -71.1 | -77.8 | 0 | 0 | 0 | 123.6 | | |
| 33 | Y | 33.4 | Very low | 36.8 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | | 57.7 | 113 | 116 | -160.3 | -85.2 | 0 | 0 | 0 | 120.9 | | |
| 34 | M | 32.3 | Very low | 37.4 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -157.9 | 144.8 | 136.3 | -152.2 | 62.5 | 73.2 | 0 | 0 | 111.4 | | |
| 35 | E | 38.7 | Very low | 38.1 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 64% | 0.64 | 77% | 0.765 | S | S | * | * | | | trans | -89.5 | 166 | 164.1 | -153.6 | -156.6 | 89.5 | 0 | 0 | 109.3 | A37 | E35-A37 PolarHBondContact OE1-N 3.49Š|
| 36 | P | 46.3 | Very low | 38.4 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | | -154.5 | 153.6 | 93.9 | 37.9 | -19.8 | 0 | 0 | 0 | 116.8 | | |
| 37 | A | 33.1 | Very low | 39.2 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | 66.5 | 153.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | E35 | E35-A37 PolarHBondContact OE1-N 3.49Š|
| 38 | Q | 35.3 | Very low | 38.9 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | cis | 164.8 | 159.7 | -28.6 | -106.1 | -177.3 | 46.3 | 0 | 0 | 105.4 | | |
| 39 | L | 35.4 | Very low | 39.4 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | 72.4 | 139.9 | 176.4 | -47.3 | -177 | 0 | 0 | 0 | 114.9 | | |
| 40 | L | 38 | Very low | 39.6 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | cis | -151.9 | 173.2 | -8.3 | -102.5 | 165.7 | 0 | 0 | 0 | 108.2 | | |
| 41 | P | 47.3 | Very low | 40.2 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | trans | -88.7 | 165.5 | -162.5 | 36.3 | -38.5 | 0 | 0 | 0 | 116.3 | | |
| 42 | P | 46.8 | Very low | 40.4 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -100.6 | 117.3 | -179.7 | 35.8 | -29 | 0 | 0 | 0 | 114 | | |
| 43 | D | 42.3 | Very low | 41 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -142.1 | -6.8 | 172.5 | -144.4 | -122.8 | 0 | 0 | 0 | 114.9 | | |
| 44 | E | 44.4 | Very low | 41.5 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -108.6 | 23.7 | -165.3 | -61.3 | -164.1 | 143.9 | 0 | 0 | 116.7 | | |
| 45 | V | 46.4 | Very low | 41.9 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -102 | -8.3 | -174.1 | -71.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 46 | D | 45.6 | Very low | 41.8 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -98.3 | 10 | -170.6 | -106 | -48.2 | 0 | 0 | 0 | 115.9 | | |
| 47 | V | 48.4 | Very low | 41.2 | Very low | 123 Ų | 123 | 146 Ų | 146 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -93.2 | -26 | -177.2 | -179.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 48 | F | 39.8 | Very low | 41.8 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -7.8 | -165.8 | -111.7 | -87 | 0 | 0 | 0 | 117 | | |
| 49 | F | 40.9 | Very low | 41.8 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -4.3 | -176 | -107.7 | -84 | 0 | 0 | 0 | 115.6 | | |
| 50 | N | 38 | Very low | 41.9 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -100.4 | 28.6 | -173.7 | -78.9 | -69.8 | 0 | 0 | 0 | 114.7 | | |
| 51 | H | 44.8 | Very low | 41.9 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -139.7 | 26.6 | -173.9 | -111.7 | 47.8 | 0 | 0 | 0 | 116 | | |
| 52 | L | 41.3 | Very low | 41.2 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -124.9 | 1.9 | -175.7 | -95.7 | 165.5 | 0 | 0 | 0 | 116.4 | | |
| 53 | D | 41.9 | Very low | 41.2 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -121.5 | 44.6 | -174.4 | -158.4 | 7.2 | 0 | 0 | 0 | 112.4 | | |
| 54 | S | 45.4 | Very low | 41 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | | | trans | -147.4 | 23.7 | -170.8 | 59.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 55 | Q | 39 | Very low | 40.8 | Very low | 201 Ų | 201 | 150.6 Ų | 150.6 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | | | trans | -135 | 115.6 | 158 | -71.5 | -160.3 | 10.3 | 0 | 0 | 111.8 | | |
| 56 | G | 36.9 | Very low | 40.2 | Very low | 76 Ų | 76 | 149.3 Ų | 149.3 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | | | trans | -122 | 144.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 57 | N | 33.8 | Very low | 39.9 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | -156.4 | 165.5 | 170.7 | -125.8 | 6 | 0 | 0 | 0 | 110.1 | | |
| 58 | P | 45.4 | Very low | 39.2 | Very low | 93 Ų | 93 | 152.5 Ų | 152.5 | 60% | 0.604 | 82% | 0.821 | S | S | * | * | | | | -137.9 | 122.9 | -106.1 | 38.2 | -19.9 | 0 | 0 | 0 | 114.8 | | |
| 59 | Y | 36.3 | Very low | 38.9 | Very low | 225 Ų | 225 | 155 Ų | 155 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | | | trans | -147.7 | 145.8 | 157.4 | -101.8 | -75.8 | 0 | 0 | 0 | 112.6 | | |
| 60 | Y | 38.1 | Very low | 38.8 | Very low | 231 Ų | 231 | 152.5 Ų | 152.5 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | | | trans | 62.9 | 102.2 | -178.1 | -77.7 | -83.3 | 0 | 0 | 0 | 117.9 | | |
| 61 | A | 36.6 | Very low | 38.6 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | | | trans | -122.4 | 134.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 62 | N | 32.8 | Very low | 38 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | | | trans | -162.7 | 154.7 | 157 | -117.1 | -5.3 | 0 | 0 | 0 | 109.4 | | |
| 63 | P | 47 | Very low | 37.8 | Very low | 119 Ų | 119 | 151.6 Ų | 151.6 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | | -133.4 | 114 | -126.4 | 30.5 | -8.4 | 0 | 0 | 0 | 114.5 | | |
| 64 | A | 37 | Very low | 37.7 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -144.9 | 141.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 65 | H | 40.3 | Very low | 37.2 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | | | trans | 58.5 | 71.5 | 175.4 | -84 | -71.6 | 0 | 0 | 0 | 118.2 | | |
| 66 | A | 35.6 | Very low | 37 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -114.3 | 63.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 67 | R | 38 | Very low | 37 | Very low | 239 Ų | 239 | 149.5 Ų | 149.5 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | trans | -152.2 | 131.3 | 163.9 | -70.2 | -168.7 | 176 | 108.5 | 0.3 | 108.9 | | |
| 68 | A | 33.5 | Very low | 37 | Very low | 94 Ų | 94 | 153 Ų | 153 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | | | cis | -151.7 | 156.6 | -12.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 69 | R | 35.2 | Very low | 36.8 | Very low | 243 Ų | 243 | 157.1 Ų | 157.1 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | | | trans | -120.3 | 127.5 | 163.8 | -76 | -163.8 | 178.4 | -158.3 | 3.9 | 109.4 | | |
| 70 | V | 37.2 | Very low | 36.8 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | | | trans | -95.3 | 110 | 170.7 | 176.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 71 | S | 34.5 | Very low | 36.5 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | | | trans | -88 | 122.8 | 170.4 | -63 | 0 | 0 | 0 | 0 | 109 | | |
| 72 | Y | 32.9 | Very low | 36.3 | Very low | 230 Ų | 230 | 144.7 Ų | 144.7 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | | | trans | -89.5 | 125.1 | 170.3 | -126.2 | -90.2 | 0 | 0 | 0 | 108.3 | | |
| 73 | S | 35.8 | Very low | 36.4 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | | | trans | -117.6 | 138 | 174.1 | -167.2 | 0 | 0 | 0 | 0 | 110 | | |
| 74 | P | 41.2 | Very low | 35.8 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | | | trans | -82.7 | 125.3 | 179.7 | -2.4 | 21.2 | 0 | 0 | 0 | 111.1 | H76 | P74-H76 PolarHBondContact O-N 3.34Š|
| 75 | A | 34.1 | Very low | 35.6 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | | | trans | -79.1 | 111.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 76 | H | 34.8 | Very low | 35.3 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | | | trans | -80.5 | 129.2 | 162.2 | -92.9 | -97.1 | 0 | 0 | 0 | 109.9 | P74 | P74-H76 PolarHBondContact O-N 3.34Š|
| 77 | A | 36.7 | Very low | 36.1 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | -130.4 | 118.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 78 | R | 34.4 | Very low | 35.9 | Very low | 236 Ų | 236 | 147.2 Ų | 147.2 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | | | trans | -102.6 | 130.1 | 164.5 | -79.1 | -167.8 | 177.6 | -156.2 | 4.7 | 108.6 | | |
| 79 | L | 40.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | trans | -136.1 | 153.1 | 160.2 | -81.7 | 171.1 | 0 | 0 | 0 | 108.1 | | |
| 80 | T | 36.7 | Very low | 36.6 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | -135.5 | 144.2 | -159.1 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 81 | G | 31.7 | Very low | 36.4 | Very low | 87 Ų | 87 | 147 Ų | 147 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | 81.2 | 143.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 82 | G | 32.9 | Very low | 36.3 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | cis | 165.1 | 158.4 | 8.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 83 | Q | 33.7 | Very low | 37.3 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | | | cis | -143.1 | 179.3 | 21.1 | -82.4 | -76 | 15.1 | 0 | 0 | 111.6 | | |
| 84 | M | 34.4 | Very low | 37.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -60.4 | 155.5 | -174.1 | -44.3 | -58.5 | 172.2 | 0 | 0 | 117.2 | | |
| 85 | C | 33.2 | Very low | 37.2 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | | | trans | -162.5 | 134.5 | 132.9 | -123.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 86 | R | 33.5 | Very low | 38 | Very low | 232 Ų | 232 | 144.8 Ų | 144.8 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | | | trans | -177.6 | -178.6 | -174.9 | -160.4 | -179.6 | 162.8 | 128.3 | -2.1 | 106.9 | | |
| 87 | P | 53.4 | Low | 38 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 58% | 0.584 | 82% | 0.822 | S | S | * | * | | | cis | -87.2 | -143 | -34.8 | -6.2 | 28 | 0 | 0 | 0 | 113.1 | | |
| 88 | H | 33.3 | Very low | 38.4 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | | | cis | -146.6 | 178.7 | 17.4 | -88.8 | -88 | 0 | 0 | 0 | 113.2 | | |
| 89 | L | 45.3 | Very low | 38.3 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | | | trans | -111.5 | 166.8 | 159.9 | -60.1 | 85.5 | 0 | 0 | 0 | 109.3 | | |
| 90 | L | 37.4 | Very low | 37.9 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | | | trans | -178.6 | 137 | 131.7 | -116.8 | 69 | 0 | 0 | 0 | 114.4 | | |
| 91 | H | 33.2 | Very low | 37.7 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | | | trans | 50.3 | 150.8 | 151.3 | -58.4 | 133.4 | 0 | 0 | 0 | 126.4 | | |
| 92 | S | 32.8 | Very low | 38.1 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -93.3 | -173.6 | 164.3 | -32.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 93 | P | 54.3 | Low | 38.1 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | cis | -142.8 | -174.6 | 27.8 | 43.7 | -23.1 | 0 | 0 | 0 | 117.3 | | |
| 94 | G | 32.1 | Very low | 38.1 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | 169.4 | 138.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 95 | L | 42 | Very low | 38.1 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | -131.6 | 162.9 | 171.1 | -74 | 171.8 | 0 | 0 | 0 | 109.4 | | |
| 96 | P | 51.8 | Low | 38 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | | -146.9 | -175.1 | 108.5 | 36.1 | -17.8 | 0 | 0 | 0 | 116.3 | | |
| 97 | W | 34.7 | Very low | 37.9 | Very low | 236 Ų | 236 | 133.2 Ų | 133.2 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | -64.6 | 178.2 | -172.7 | -56 | -30.3 | 0 | 0 | 0 | 116.2 | | |
| 98 | L | 44 | Very low | 36.9 | Very low | 147 Ų | 147 | 134 Ų | 134 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | | | cis | -140.4 | 156 | 27.2 | -61.6 | 149.9 | 0 | 0 | 0 | 109.9 | | |
| 99 | D | 32.5 | Very low | 36.9 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | | | | 60.6 | 123.2 | 52.5 | -149.8 | 8.5 | 0 | 0 | 0 | 113.4 | | |
| 100 | G | 32.4 | Very low | 36.3 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | cis | -177.9 | 172.7 | -6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 101 | G | 33.6 | Very low | 36.1 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | | | trans | 174.6 | 143.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 102 | K | 40.1 | Very low | 36.1 | Very low | 208 Ų | 208 | 131.3 Ų | 131.3 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | | | trans | -148.5 | 120.1 | -176.1 | 47.3 | 167.4 | -173.5 | -65.7 | 0 | 112.4 | | |
| 103 | A | 33.4 | Very low | 36.4 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -178 | 138.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 104 | A | 32.9 | Very low | 35.5 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | | | trans | 57.6 | 118 | 134.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 105 | L | 33.5 | Very low | 35.7 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | 78.9 | 109.8 | 131.6 | -63.3 | 170.6 | 0 | 0 | 0 | 122 | | |
| 106 | S | 31.8 | Very low | 35.3 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | | 87.2 | 149.9 | 128.8 | -61.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 107 | A | 32 | Very low | 34.7 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | | | trans | 78.6 | 108.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 108 | A | 31.7 | Very low | 34.7 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | 50.5 | 106.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 109 | A | 33.5 | Very low | 34.6 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | trans | -144 | 146.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 110 | A | 33.3 | Very low | 35.5 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | -96.8 | 150 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H112 | A110-H112 PolarHBondContact O-N 3.38Š|
| 111 | H | 32.4 | Very low | 35.7 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | | | trans | -71.6 | 115.5 | 168.8 | -77.4 | -86.6 | 0 | 0 | 0 | 110.9 | | |
| 112 | H | 33 | Very low | 35.8 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | | | trans | -79.1 | 131.7 | 165.6 | -81.9 | -99.6 | 0 | 0 | 0 | 110.7 | A110 | A110-H112 PolarHBondContact O-N 3.38Š|
| 113 | H | 39 | Very low | 35.6 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | | | trans | -115.5 | 151.9 | 176.8 | -164.9 | -86.5 | 0 | 0 | 0 | 111.3 | P115 | H113-P115 WeakPolarHBondContact O-CD 3.41Š|
| 114 | N | 36.4 | Very low | 35.9 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -60.3 | 130.3 | -178.1 | -97.7 | -36.3 | 0 | 0 | 0 | 113 | | |
| 115 | P | 35.1 | Very low | 36.7 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | | | trans | -113.9 | 105.2 | 175.7 | 36.3 | -25 | 0 | 0 | 0 | 113.4 | H113 | H113-P115 WeakPolarHBondContact O-CD 3.41Š|
| 116 | W | 33.8 | Very low | 36.7 | Very low | 247 Ų | 247 | 140.2 Ų | 140.2 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | | | trans | -146.8 | 43 | 168.7 | -95.1 | 107.3 | 0 | 0 | 0 | 113.9 | | |
| 117 | T | 39.7 | Very low | 37.2 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | | | trans | -142.6 | 95.7 | 168.5 | 52.4 | 0 | 0 | 0 | 0 | 112 | | |
| 118 | V | 35.2 | Very low | 38 | Very low | 135 Ų | 135 | 143 Ų | 143 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -140 | 124.4 | 163.7 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 119 | S | 40.4 | Very low | 38.2 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -113.2 | 142 | 153.9 | -68.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 120 | P | 51.2 | Low | 38.3 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | | | trans | -102.4 | 150.2 | -157 | 39.7 | -37.4 | 0 | 0 | 0 | 115.2 | | |
| 121 | F | 37.2 | Very low | 38.5 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | 65.7 | 144.2 | 165.2 | -55.2 | -68.7 | 0 | 0 | 0 | 118.9 | | |
| 122 | S | 36.4 | Very low | 38.6 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | cis | -176.1 | 136.7 | -23.9 | 49 | 0 | 0 | 0 | 0 | 112.1 | | |
| 123 | K | 36.3 | Very low | 38.5 | Very low | 206 Ų | 206 | 132.4 Ų | 132.4 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | | | | -167.1 | 162.8 | 128.2 | -122.1 | 177.9 | 178.7 | 179.5 | 0 | 112.8 | | |
| 124 | T | 38.6 | Very low | 39 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -137.1 | -177.3 | -176 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 125 | P | 49.2 | Very low | 38.9 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | | -129.9 | -178.1 | -57 | 35.1 | -18.6 | 0 | 0 | 0 | 111.9 | | |
| 126 | L | 34.6 | Very low | 38.9 | Very low | 156 Ų | 156 | 126 Ų | 126 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | | | | 162.7 | 112.8 | 123.9 | -85.1 | 169.7 | 0 | 0 | 0 | 113.4 | | |
| 127 | H | 41.9 | Very low | 39.7 | Very low | 173 Ų | 173 | 119.8 Ų | 119.8 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | | | | 20.4 | 156.7 | 127.1 | -99.7 | -138.4 | 0 | 0 | 0 | 122.5 | | |
| 128 | P | 49.9 | Very low | 39.5 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 60% | 0.604 | 79% | 0.785 | S | S | * | * | | | cis | -152.4 | -177.8 | -29 | 38.7 | -18.4 | 0 | 0 | 0 | 118.4 | | |
| 129 | S | 35.3 | Very low | 39.5 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | | 103.9 | 142.8 | 126.6 | -90.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 130 | A | 36.1 | Very low | 39.2 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | 67.3 | 151 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 131 | A | 36.7 | Very low | 38.5 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | cis | -174.8 | 153.8 | -34.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 132 | G | 34 | Very low | 39.3 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | 88.1 | 108.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 133 | G | 31.2 | Very low | 39 | Very low | 76 Ų | 76 | 122 Ų | 122 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | -94.3 | -153.9 | 140 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 134 | P | 49.3 | Very low | 39 | Very low | 142 Ų | 142 | 117.5 Ų | 117.5 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | | | cis | -122 | -175.2 | -2.5 | 41.4 | -27.9 | 0 | 0 | 0 | 112.3 | | |
| 135 | G | 35.3 | Very low | 38.6 | Very low | 79 Ų | 79 | 115.1 Ų | 115.1 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | 166.7 | 73 | 166 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 136 | G | 34.8 | Very low | 37.8 | Very low | 75 Ų | 75 | 114.4 Ų | 114.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | 74.6 | 167.2 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 137 | P | 50.8 | Low | 37.6 | Very low | 116 Ų | 116 | 110.5 Ų | 110.5 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | -142.2 | -180 | -153.6 | 44.1 | -24.7 | 0 | 0 | 0 | 117.1 | | |
| 138 | L | 34.7 | Very low | 37.3 | Very low | 159 Ų | 159 | 108.2 Ų | 108.2 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | 67.7 | 117.1 | 164.5 | -54.2 | -176.5 | 0 | 0 | 0 | 115.8 | | |
| 139 | S | 36 | Very low | 36.5 | Very low | 110 Ų | 110 | 107.9 Ų | 107.9 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | | | | 82.9 | 117.1 | 63.6 | -175.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 140 | V | 34.8 | Very low | 36.4 | Very low | 141 Ų | 141 | 106.6 Ų | 106.6 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | | | trans | -176.3 | 138.1 | 149 | 136.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 141 | Y | 35.7 | Very low | 36.2 | Very low | 219 Ų | 219 | 105.7 Ų | 105.7 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | | | trans | -102.2 | 178.6 | 168.2 | -104.4 | -79.5 | 0 | 0 | 0 | 108.2 | | |
| 142 | P | 53.8 | Low | 36.1 | Very low | 122 Ų | 122 | 109.5 Ų | 109.5 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | | | cis | -128 | -169.9 | -19 | 40.4 | -24.6 | 0 | 0 | 0 | 112.1 | | |
| 143 | G | 29.5 | Very low | 36.1 | Very low | 79 Ų | 79 | 109.4 Ų | 109.4 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | | | trans | 177.1 | 141.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 144 | A | 37.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 111.3 Ų | 111.3 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | | | trans | -144.6 | 151.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 145 | G | 30.3 | Very low | 35.6 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | | | trans | 157.1 | 145.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 146 | G | 31.2 | Very low | 35.7 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | | | trans | 74.7 | 140.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 147 | G | 30.6 | Very low | 35.8 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | cis | 124.5 | 153.7 | 27.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 148 | S | 36.7 | Very low | 34.9 | Very low | 126 Ų | 126 | 112.5 Ų | 112.5 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | | | cis | -163.5 | 147.2 | -2.2 | -67.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 149 | G | 33.3 | Very low | 34.8 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | 71.1 | 167.5 | 171 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 150 | G | 32.1 | Very low | 34.8 | Very low | 85 Ų | 85 | 113.5 Ų | 113.5 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | | | cis | 137.3 | 128.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 151 | G | 32.5 | Very low | 35.4 | Very low | 78 Ų | 78 | 113 Ų | 113 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | 125.8 | 136.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 152 | N | 34.3 | Very low | 35.2 | Very low | 179 Ų | 179 | 109 Ų | 109 | 96% | 0.957 | 83% | 0.825 | S | S | * | * | | | trans | -89.1 | 155.6 | 174.4 | -60.7 | -11.4 | 0 | 0 | 0 | 110.7 | | |
| 153 | G | 34.8 | Very low | 34.3 | Very low | 77 Ų | 77 | 107.8 Ų | 107.8 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | trans | -158.1 | 122.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 154 | S | 34.4 | Very low | 34.5 | Very low | 116 Ų | 116 | 107.2 Ų | 107.2 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -76.4 | 162.5 | -172.5 | -54.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 155 | S | 35.3 | Very low | 34.3 | Very low | 107 Ų | 107 | 110.6 Ų | 110.6 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | 19.9 | 140 | 138.3 | -41.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 156 | V | 37.8 | Very low | 34.3 | Very low | 140 Ų | 140 | 112.6 Ų | 112.6 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | | -161.3 | -174 | 58.7 | -76.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 157 | A | 35.3 | Very low | 34.4 | Very low | 88 Ų | 88 | 112.1 Ų | 112.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -68.2 | 179.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 158 | S | 31.9 | Very low | 34.7 | Very low | 101 Ų | 101 | 114 Ų | 114 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | cis | -170.5 | 172.3 | 26.5 | -150.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 159 | L | 32.9 | Very low | 34.9 | Very low | 168 Ų | 168 | 116 Ų | 116 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | 73.8 | 156.5 | 158.4 | -62 | 173 | 0 | 0 | 0 | 121.2 | | |
| 160 | T | 37.2 | Very low | 35.1 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -99.7 | 164.4 | -172.6 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 161 | P | 46.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | | | | -142.8 | -166.8 | 105.8 | 38.4 | -23.3 | 0 | 0 | 0 | 115.1 | | |
| 162 | T | 32.2 | Very low | 35.7 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | -113.5 | 162.9 | -156.5 | -31.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 163 | A | 34.2 | Very low | 36.2 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | 72.3 | 153.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 164 | A | 33.6 | Very low | 36.7 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 56% | 0.562 | 78% | 0.781 | S | S | * | * | | | cis | -167 | 175 | -20.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 165 | H | 32.8 | Very low | 37.6 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | | | trans | 69.7 | 150.8 | 172.6 | -44.1 | -72.4 | 0 | 0 | 0 | 115.1 | | |
| 166 | S | 31.6 | Very low | 38.3 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | cis | -149.4 | 158.9 | -14.8 | -99.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 167 | G | 32.6 | Very low | 38.8 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -116.9 | -176.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 168 | S | 36.5 | Very low | 39.6 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -156.5 | 116.1 | 170.2 | 43.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 169 | H | 40.7 | Very low | 39.9 | Very low | 167 Ų | 167 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | 49.5 | 119 | 142.4 | -72.9 | -95.7 | 0 | 0 | 0 | 124.8 | | |
| 170 | L | 38.4 | Very low | 40 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | | | trans | 62.7 | 143.3 | 131.6 | -52.5 | 173.1 | 0 | 0 | 0 | 119.3 | | |
| 171 | F | 40.1 | Very low | 39.9 | Very low | 197 Ų | 197 | 135 Ų | 135 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | cis | -134.1 | 168.7 | 8.6 | -68 | -101.7 | 0 | 0 | 0 | 109 | | |
| 172 | G | 35.8 | Very low | 39.5 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | cis | 139 | 82.5 | 1.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 173 | F | 46 | Very low | 40.1 | Very low | 204 Ų | 204 | 133 Ų | 133 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | -130.6 | 152.3 | 173.8 | -88.6 | -85.9 | 0 | 0 | 0 | 110.9 | | |
| 174 | P | 45.9 | Very low | 40.1 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 141.7 | -169.3 | 32.4 | -34.8 | 0 | 0 | 0 | 113.9 | | |
| 175 | P | 52.5 | Low | 40.9 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 157.6 | 177.9 | 33.7 | -35.5 | 0 | 0 | 0 | 113.8 | | |
| 176 | T | 49.3 | Very low | 41 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 154.4 | 172.1 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 177 | P | 48.6 | Very low | 41.3 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 152.2 | 179.2 | 29.3 | -36.2 | 0 | 0 | 0 | 113.1 | | |
| 178 | P | 52.3 | Low | 41.4 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 168.8 | 178.7 | 33.1 | -36.2 | 0 | 0 | 0 | 113.1 | | |
| 179 | K | 39 | Very low | 41.1 | Very low | 203 Ų | 203 | 137 Ų | 137 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 145 | 165.9 | -65.7 | 176.9 | 176.7 | 178.2 | 0 | 109.9 | | |
| 180 | E | 33.3 | Very low | 40.9 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 157.3 | 161.1 | -61.5 | -163 | 149 | 0 | 0 | 111.2 | | |
| 181 | V | 36.3 | Very low | 40.6 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | trans | -123.7 | 142.4 | -174.6 | 59 | 0 | 0 | 0 | 0 | 109.6 | | |
| 182 | S | 36.9 | Very low | 40.4 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -75.2 | 139.5 | -178.5 | -160.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 183 | P | 46.6 | Very low | 40.9 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | | | trans | -86.1 | 136.6 | 164.7 | 33.4 | -30.7 | 0 | 0 | 0 | 111.1 | | |
| 184 | D | 32.9 | Very low | 40.1 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | -118.4 | 135.6 | 167.2 | -117.7 | -43.8 | 0 | 0 | 0 | 107.8 | | |
| 185 | P | 50.5 | Low | 39.5 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -112.4 | 116.5 | 173.2 | 34.8 | -24.9 | 0 | 0 | 0 | 113.3 | | |
| 186 | S | 35.9 | Very low | 38.6 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | trans | -136.4 | 149.7 | 170.3 | 49.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 187 | T | 36.3 | Very low | 37.8 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | cis | -165.7 | 148.4 | -1.6 | 16.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 188 | T | 35.1 | Very low | 37.1 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | | | trans | 173.6 | 150.5 | 147.4 | 21.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 189 | G | 30.7 | Very low | 36 | Very low | 74 Ų | 74 | 120.6 Ų | 120.6 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | cis | -160.6 | 170.2 | -4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 190 | A | 36.1 | Very low | 35.6 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | -79.3 | 147.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 191 | A | 32.2 | Very low | 35.6 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -167.6 | 154.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 192 | S | 35.4 | Very low | 35.4 | Very low | 116 Ų | 116 | 109.5 Ų | 109.5 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -137.3 | 151 | 162.1 | -57.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 193 | P | 46.3 | Very low | 35.2 | Very low | 129 Ų | 129 | 108.7 Ų | 108.7 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | | -126.8 | -174.5 | 75.9 | 8.8 | 15.4 | 0 | 0 | 0 | 112 | | |
| 194 | G | 30.5 | Very low | 34.5 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | | | cis | 129.8 | 120.7 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 195 | S | 33 | Very low | 34.5 | Very low | 127 Ų | 127 | 110.4 Ų | 110.4 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | 68.9 | 152.9 | 178 | -65.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 196 | S | 33.1 | Very low | 33.7 | Very low | 100 Ų | 100 | 113.3 Ų | 113.3 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | | | cis | -161.2 | 163.3 | -6 | 43.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 197 | S | 33 | Very low | 33.6 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | 61.3 | 116.4 | 142.9 | 61 | 0 | 0 | 0 | 0 | 123.9 | | |
| 198 | A | 32.9 | Very low | 33.6 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | | | | 72.2 | 130.4 | 123.9 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 199 | G | 29.6 | Very low | 33.6 | Very low | 78 Ų | 78 | 114.8 Ų | 114.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | | 109.2 | 136.5 | 123.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 200 | G | 30.1 | Very low | 33.7 | Very low | 75 Ų | 75 | 113.8 Ų | 113.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | 80.7 | 132.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 201 | S | 33.2 | Very low | 33.9 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | cis | 95.5 | 104.2 | 22.1 | -58.4 | 0 | 0 | 0 | 0 | 117 | | |
| 202 | A | 32.1 | Very low | 33.9 | Very low | 102 Ų | 102 | 118 Ų | 118 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | 71.5 | 117.3 | 146.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 203 | A | 33.2 | Very low | 33.8 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | | 73.6 | 118.6 | 123.7 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 204 | R | 32.9 | Very low | 33 | Very low | 243 Ų | 243 | 122.6 Ų | 122.6 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | | | trans | 72.9 | 154.9 | 137 | -70.9 | -175.9 | 171.2 | -100.9 | 1.8 | 122 | | |
| 205 | G | 33.1 | Very low | 33 | Very low | 63 Ų | 63 | 126.2 Ų | 126.2 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | 106.5 | 127.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 206 | E | 32.9 | Very low | 32.9 | Very low | 187 Ų | 187 | 124.5 Ų | 124.5 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | cis | 64 | 126.6 | 33.2 | -63.9 | 168.2 | 69.1 | 0 | 0 | 112.4 | | |
| 207 | D | 34.6 | Very low | 32.8 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | | | cis | -150.3 | 170.8 | 16.1 | 179.8 | -140 | 0 | 0 | 0 | 113 | | |
| 208 | K | 35.6 | Very low | 32.9 | Very low | 151 Ų | 151 | 129 Ų | 129 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | 2.1 | 153.2 | 164.6 | -80.6 | 160.9 | 21.9 | -92.9 | 0 | 122 | | |
| 209 | D | 35 | Very low | 32.8 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | cis | -151.5 | -173.9 | 12.6 | -126.4 | -65.5 | 0 | 0 | 0 | 108.5 | | |
| 210 | G | 32.3 | Very low | 33 | Very low | 52 Ų | 52 | 134.9 Ų | 134.9 | 54% | 0.536 | 77% | 0.772 | S | S | . | * | | | cis | 171.9 | -142.5 | 8.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 211 | V | 40.7 | Very low | 33.1 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | | | trans | 58.5 | 54.2 | 169.5 | -157.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 212 | K | 33.2 | Very low | 33.2 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 65% | 0.648 | 78% | 0.782 | S | S | * | * | | | | 29.4 | 118.8 | 122.3 | -165.4 | -170.6 | -170.1 | -165.4 | 0 | 119.9 | | |
| 213 | Y | 32.8 | Very low | 33.2 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 73% | 0.725 | 79% | 0.785 | S | S | * | * | | | | -175.3 | 146.2 | 107.8 | -98.2 | -67.4 | 0 | 0 | 0 | 114.7 | | |
| 214 | Q | 28.8 | Very low | 33 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | trans | -30.8 | 159.6 | 173.6 | -92.7 | 178.7 | -52.6 | 0 | 0 | 119.6 | | |
| 215 | V | 30.7 | Very low | 33 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | | -142.9 | 159.3 | 54.2 | 164.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 216 | S | 31 | Very low | 33 | Very low | 91 Ų | 91 | 147.5 Ų | 147.5 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | trans | -74.2 | 154.3 | -171.5 | -41.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 217 | L | 31.6 | Very low | 33 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -140.3 | 126 | 154.3 | -160.6 | 167.2 | 0 | 0 | 0 | 108.3 | | |
| 218 | T | 34 | Very low | 33.8 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | -116.3 | 119.5 | -178.6 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 219 | E | 32.3 | Very low | 33.8 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -118 | 120.5 | 167.4 | -178.8 | 169.7 | 109.7 | 0 | 0 | 110.3 | | |
| 220 | S | 32.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -174.8 | 105.1 | 156.9 | -86.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 221 | M | 33.5 | Very low | 34.7 | Very low | 191 Ų | 191 | 150.5 Ų | 150.5 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | | | trans | -120.1 | 107 | 166.8 | 59.6 | 179 | 78 | 0 | 0 | 109.9 | | |
| 222 | K | 33.8 | Very low | 34.3 | Very low | 210 Ų | 210 | 146.8 Ų | 146.8 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -136.3 | 131.8 | 168.5 | -173.1 | 178.6 | 176 | -171.8 | 0 | 108.2 | | |
| 223 | M | 33 | Very low | 34.4 | Very low | 185 Ų | 185 | 148 Ų | 148 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | | | trans | -123 | 130.7 | -169.4 | 58.9 | -161.6 | 178.4 | 0 | 0 | 110.3 | | |
| 224 | E | 29.4 | Very low | 34.5 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | | | trans | -137.6 | 144.9 | 169.2 | -168.8 | 147.6 | 82.2 | 0 | 0 | 108.7 | | |
| 225 | S | 33.3 | Very low | 34.7 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -89.9 | 127.8 | -160.8 | -168.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 226 | G | 32.1 | Very low | 34.9 | Very low | 66 Ų | 66 | 144.2 Ų | 144.2 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | | | trans | -79.6 | 156.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 227 | S | 33.8 | Very low | 35 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -154.9 | 151.4 | 162.2 | -82.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 228 | P | 51 | Low | 35 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | | -130.4 | 177.2 | -126 | 39.7 | -25.6 | 0 | 0 | 0 | 117.3 | | |
| 229 | L | 34.3 | Very low | 35.1 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | | | trans | 76.7 | 108.3 | 167.2 | -49 | -178.5 | 0 | 0 | 0 | 115.4 | | |
| 230 | R | 41 | Very low | 35.9 | Very low | 231 Ų | 231 | 140.1 Ų | 140.1 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | | 98.1 | 157 | 76 | -99 | -133.7 | 103.5 | -159.3 | -2.2 | 112.1 | | |
| 231 | P | 46.8 | Very low | 35.9 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | | | | -134.9 | 172.2 | -125.7 | 44.6 | -30.5 | 0 | 0 | 0 | 117.4 | | |
| 232 | G | 30.4 | Very low | 35.9 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | -149.2 | 117.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 233 | L | 35.8 | Very low | 36 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | | 63.7 | 116.5 | 84.1 | -172.8 | 63.8 | 0 | 0 | 0 | 113 | | |
| 234 | A | 35.8 | Very low | 36.1 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | -96 | 137.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 235 | T | 32.8 | Very low | 37.1 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | 177.9 | 128.9 | 141.9 | -74.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 236 | M | 33.6 | Very low | 37.1 | Very low | 181 Ų | 181 | 129.7 Ų | 129.7 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -104 | 131.5 | 164.6 | -85.2 | -67.1 | -70.2 | 0 | 0 | 109.2 | | |
| 237 | G | 34 | Very low | 38.2 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 172.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 238 | T | 31.1 | Very low | 38.2 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 130 | -176.7 | 43.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 239 | Q | 35.9 | Very low | 37.2 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | 68.4 | 162.9 | 148 | -60.6 | -67.2 | 3.9 | 0 | 0 | 118.6 | | |
| 240 | P | 49.3 | Very low | 38.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -130.6 | 161 | -31.2 | 34.3 | -19.6 | 0 | 0 | 0 | 113.6 | | |
| 241 | A | 33.3 | Very low | 37.8 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | 173 | 118.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 242 | T | 34.3 | Very low | 37.1 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | 21.9 | 107.8 | 143.7 | 57.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 243 | H | 34.9 | Very low | 37.6 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | | | | 57.8 | 155.8 | 123 | -121.7 | -113.2 | 0 | 0 | 0 | 124.4 | | |
| 244 | H | 34.7 | Very low | 38.4 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | | | trans | -101.9 | -179.5 | -171.1 | 54.4 | -116.4 | 0 | 0 | 0 | 112.8 | | |
| 245 | P | 51.2 | Low | 38.3 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | cis | -142.3 | -134.5 | 22.2 | 41.9 | -17.1 | 0 | 0 | 0 | 117.7 | | |
| 246 | I | 33.1 | Very low | 38.3 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -102.2 | -162.7 | -149.6 | -26.5 | 178.4 | 0 | 0 | 0 | 114.2 | | |
| 247 | P | 55.2 | Low | 38.4 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | | | | -114.2 | 162.1 | -113.6 | 40.2 | -24.3 | 0 | 0 | 0 | 118.7 | | |
| 248 | T | 34 | Very low | 38.5 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | | | trans | -155.9 | -172.1 | 164.3 | -16.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 249 | Y | 30.6 | Very low | 38.7 | Very low | 202 Ų | 202 | 133 Ų | 133 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | -156.6 | 162.5 | -166.9 | -164.5 | -129.7 | 0 | 0 | 0 | 107.6 | | |
| 250 | P | 52.6 | Low | 38.6 | Very low | 103 Ų | 103 | 135 Ų | 135 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | cis | -142.6 | -165.1 | 23.9 | 46.6 | -26.6 | 0 | 0 | 0 | 117.6 | | |
| 251 | S | 34.1 | Very low | 37.8 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | trans | -7.1 | 146.9 | 160.9 | -51.3 | 0 | 0 | 0 | 0 | 124.2 | | |
| 252 | Y | 32.5 | Very low | 38.1 | Very low | 216 Ų | 216 | 135.4 Ų | 135.4 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | trans | -152.7 | 154.5 | 132.8 | -155.6 | -104.2 | 0 | 0 | 0 | 114.2 | | |
| 253 | V | 40.3 | Very low | 38.1 | Very low | 117 Ų | 117 | 132 Ų | 132 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | trans | -158 | 154.9 | 174.9 | -126.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 254 | P | 53.1 | Low | 38.4 | Very low | 106 Ų | 106 | 132 Ų | 132 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | | | cis | -154.4 | -147 | 45.9 | 45.2 | -21.5 | 0 | 0 | 0 | 115.6 | | |
| 255 | A | 33.5 | Very low | 38.8 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 86.1 | 135.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 256 | A | 33.8 | Very low | 38.2 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | cis | -159.5 | 167 | -2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 257 | A | 33.9 | Very low | 39 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | | | cis | -172 | -176.8 | -21.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 258 | H | 37.2 | Very low | 38.2 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | 80.5 | 127 | 166.5 | -62.8 | -69.3 | 0 | 0 | 0 | 121.8 | | |
| 259 | D | 35.3 | Very low | 38.3 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -46.8 | 166.9 | 158.4 | -54.5 | -109.1 | 0 | 0 | 0 | 113.7 | | |
| 260 | Y | 33.7 | Very low | 38.9 | Very low | 214 Ų | 214 | 131 Ų | 131 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | | -176.1 | 156.5 | 54.2 | -173.2 | -116.2 | 0 | 0 | 0 | 114.2 | | |
| 261 | S | 32.9 | Very low | 38.6 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | trans | 58.3 | 134.8 | 158.3 | -167.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 262 | S | 40.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -50.5 | 150.7 | 160.9 | -47.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 263 | G | 33.7 | Very low | 38.8 | Very low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | -178.6 | 111.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 264 | L | 41 | Very low | 39.4 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | | 71.2 | 134.1 | 90.5 | -75.8 | 171 | 0 | 0 | 0 | 115.9 | | |
| 265 | F | 42.6 | Very low | 39.2 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -51.6 | 150.9 | -172.7 | -52.9 | -99.7 | 0 | 0 | 0 | 115.9 | | |
| 266 | H | 39.1 | Very low | 39.7 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | | | trans | -166.8 | 172 | 147 | -96.9 | 106.1 | 0 | 0 | 0 | 108.8 | | |
| 267 | P | 49.2 | Very low | 40 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | | -121.7 | -173.5 | -82.6 | 31.6 | -10.6 | 0 | 0 | 0 | 113.3 | | |
| 268 | G | 38.8 | Very low | 40.5 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | -77.6 | 145.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 269 | G | 35.6 | Very low | 41.1 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -104.3 | 120.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 270 | F | 43.8 | Very low | 41.4 | Very low | 209 Ų | 209 | 130 Ų | 130 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | | | trans | -83.6 | 124.4 | 167.6 | -80.8 | -104.9 | 0 | 0 | 0 | 110.3 | | |
| 271 | L | 47.4 | Very low | 41.6 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 96% | 0.963 | 80% | 0.801 | S | S | * | * | | | trans | -147.9 | 140.3 | 143.1 | -80.4 | -171.6 | 0 | 0 | 0 | 108.9 | | |
| 272 | G | 36.1 | Very low | 42.2 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | | | trans | -100.9 | 155.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 273 | G | 34.3 | Very low | 42.1 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | -138.3 | 146.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 274 | P | 51.9 | Low | 42.7 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | | | trans | -77.8 | 166.6 | -163.4 | 30.5 | -36.3 | 0 | 0 | 0 | 114.9 | | |
| 275 | A | 48.6 | Very low | 42.9 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -76.7 | 151.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 276 | S | 44.2 | Very low | 43.1 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -152.3 | 147.5 | 158.4 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 277 | S | 40.1 | Very low | 43.5 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | trans | 62.9 | 70.9 | 160.2 | -57 | 0 | 0 | 0 | 0 | 117.8 | T279 | S277-T279 VanDerWaalsContact C-N 3.3Å; S277-T279 PolarHBondContact O-N 3.48Å |
| 278 | F | 44.1 | Very low | 43.5 | Very low | 218 Ų | 218 | 135.2 Ų | 135.2 | 96% | 0.956 | 80% | 0.801 | S | S | * | * | | | trans | -60.7 | 92 | 152.9 | -82.8 | -82.7 | 0 | 0 | 0 | 110.4 | | |
| 279 | T | 49.7 | Very low | 43.9 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 55% | 0.552 | 79% | 0.792 | S | S | * | * | | | trans | -110.7 | 118.8 | 160.4 | 55.6 | 0 | 0 | 0 | 0 | 108.4 | S277 K281 | S277-T279 VanDerWaalsContact C-N 3.3Å; S277-T279 PolarHBondContact O-N 3.48Å; T279-K281 PolarHBondContact O-N 3.35Å |
| 280 | P | 42.8 | Very low | 44.8 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | | | trans | -75.1 | 69.1 | 173 | 32.3 | -34.4 | 0 | 0 | 0 | 108.7 | Q282 | P280-Q282 VanDerWaalsContact C-N 3.33Å; P280-Q282 PolarHBondContact O-N 3.47Å |
| 281 | K | 38 | Very low | 45.8 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -59 | 102.7 | 167.5 | -75.9 | -173.4 | 179.5 | 179.1 | 0 | 106.7 | T279 R283 | T279-K281 PolarHBondContact O-N 3.35Å; K281-R283 PolarHBondContact O-N 3.46Å |
| 282 | Q | 44.4 | Very low | 47.2 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -54.5 | 85.2 | 166 | -92.6 | -78 | -4.9 | 0 | 0 | 107.7 | P280 S284 | P280-Q282 VanDerWaalsContact C-N 3.33Å; P280-Q282 PolarHBondContact O-N 3.47Å; Q282-S284 PolarHBondContact O-N 3.42Å |
| 283 | R | 38.6 | Very low | 49.7 | Very low | 209 Ų | 209 | 128.3 Ų | 128.3 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | | | trans | -72.9 | 80.8 | 172.1 | -169.3 | 178.3 | -168.6 | 174.3 | 6.6 | 105.6 | K281 K285 | K281-R283 PolarHBondContact O-N 3.46Å; R283-K285 PolarHBondContact O-N 3.45Å |
| 284 | S | 46.8 | Very low | 52.5 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | trans | -58.1 | 75 | 162.9 | 45.2 | 0 | 0 | 0 | 0 | 107.9 | Q282 A286 | Q282-S284 PolarHBondContact O-N 3.42Å; S284-A286 PolarHBondContact O-N 2.78Å |
| 285 | K | 44.5 | Very low | 54.5 | Low | 158 Ų | 158 | 121.6 Ų | 121.6 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | | | trans | -69.8 | 76.7 | 170 | -177.2 | 132.8 | -179.6 | 176.1 | 0 | 106 | R283 R287 | R283-K285 PolarHBondContact O-N 3.45Å; K285-R287 PolarHBondContact O-N 3.41Å |
| 286 | A | 46.4 | Very low | 56.6 | Low | 88 Ų | 88 | 120.6 Ų | 120.6 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | | | trans | -47.6 | 105.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | S284 S288 | S284-A286 PolarHBondContact O-N 2.78Å; A286-S288 PolarHBondContact O-N 3.24Å |
| 287 | R | 48.5 | Very low | 58.8 | Low | 218 Ų | 218 | 116.7 Ų | 116.7 | 82% | 0.823 | 63% | 0.626 | S | S | * | * | | | trans | -70.7 | 102.6 | -175.9 | -67.8 | -167.7 | -175 | -160.6 | 4.9 | 106.1 | K285 C289 S290 | K285-R287 PolarHBondContact O-N 3.41Å; R287-C289 PolarHBondContact O-N 3.3Å; R287-S290 PolarHBondContact O-N 3.45Å |
| 288 | S | 47.8 | Very low | 61.1 | Low | 128 Ų | 128 | 113.5 Ų | 113.5 | 90% | 0.895 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 58.9 | -179.4 | 43.1 | 0 | 0 | 0 | 0 | 112.3 | A286 | A286-S288 PolarHBondContact O-N 3.24Š|
| 289 | C | 48.2 | Very low | 63.3 | Low | 86 Ų | 86 | 104.1 Ų | 104.1 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.1 | 12.2 | 178.3 | -159.5 | 0 | 0 | 0 | 0 | 111.8 | R287 R293 | R287-C289 PolarHBondContact O-N 3.3Å; C289-R293 PolarHBondContact O-NH2 3.01Å; C289-R293 PolarHBondContact SG-NH2 3.02Å; C289-R293 VanDerWaalsContact SG-NH2 3.36Å |
| 290 | S | 55.4 | Low | 65.3 | Low | 67 Ų | 67 | 101.4 Ų | 101.4 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | | | trans | -71.9 | -34.4 | 169.7 | 41 | 0 | 0 | 0 | 0 | 112.6 | R287 G292 R293 | R287-S290 PolarHBondContact O-N 3.45Å; S290-G292 PolarHBondContact O-N 3.37Å; S290-R293 PolarHBondContact O-N 2.97Å |
| 291 | E | 63.1 | Low | 67.6 | Low | 182 Ų | 182 | 100.1 Ų | 100.1 | 85% | 0.85 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -16.2 | -164.2 | -130.4 | 55 | -148.5 | 0 | 0 | 117.5 | | |
| 292 | G | 76.9 | Confident | 70.1 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 78% | 0.784 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -1.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | S290 | S290-G292 PolarHBondContact O-N 3.37Š|
| 293 | R | 89.5 | Confident | 72.4 | Confident | 79 Ų | 79 | 88.9 Ų | 88.9 | 30% | 0.298 | 51% | 0.512 | S | S | . | . | | | trans | -106.4 | 101.3 | -174.8 | -79 | 174.1 | -93.3 | -134.7 | -6.8 | 111.8 | C289 S290 T301 W306 Y314 | C289-R293 PolarHBondContact O-NH2 3.01Å; C289-R293 PolarHBondContact SG-NH2 3.02Å; C289-R293 VanDerWaalsContact SG-NH2 3.36Å; S290-R293 PolarHBondContact O-N 2.97Å; R293-T301 WeakPolarHBondContact O-CA 3.39Å; R293-W306 HydrophobicContact CB-CH2 3.91Å; R293-W306 HydrophobicContact CB-CZ2 3.63Å; R293-W306 WeakPolarHBondContact O-CH2 3.43Å; R293-W306 WeakPolarHBondContact O-CZ2 3.37Å; R293-Y314 HydrophobicContact CG-CD1 4.36Å; R293-Y314 HydrophobicContact CG-CD2 4.31Å; R293-Y314 HydrophobicContact CG-CE1 4.38Å; R293-Y314 HydrophobicContact CG-CE2 4.33Å; R293-Y314 HydrophobicContact CG-CG 4.33Å |
| 294 | E | 92.9 | Very high | 74.9 | Confident | 69 Ų | 69 | 85 Ų | 85 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | | | trans | -98.8 | 140.8 | 160.9 | 79 | 160.3 | 135.9 | 0 | 0 | 111.1 | V296 G299 T301 K336 R338 | E294-V296 PolarHBondContact O-N 3.22Å; E294-G299 WeakPolarHBondContact OE2-CA 3.45Å; E294-T301 HydrophobicContact CB-CG2 4.37Å; E294-K336 IonicContact OE2-NZ 2.67Å; E294-K336 PolarHBondContact OE2-NZ 3.06Å; E294-R338 IonicContact OE1-CZ 3.9Å; E294-R338 IonicContact OE1-NE 2.86Å; E294-R338 IonicContact OE1-NH2 3.45Å; E294-R338 PolarHBondContact OE1-NH2 3.31Å |
| 295 | C | 93.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 50% | 0.5 | C | S | . | . | | | trans | -64 | 123 | 168.8 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | N297 C298 G299 A300 W306 Y314 C316 | C295-N297 VanDerWaalsContact C-N 3.26Å; C295-N297 PolarHBondContact O-N 2.96Å; C295-C298 PolarHBondContact O-N 3.11Å; C295-G299 VanDerWaalsContact O-CA 3.28Å; C295-G299 WeakPolarHBondContact O-CA 3.44Å; C295-G299 PolarHBondContact O-N 3.42Å; C295-A300 HydrophobicContact CB-CB 4.41Å; C295-A300 PolarHBondContact N-O 3.15Å; C295-W306 HydrophobicContact CB-CZ3 4.18Å; C295-Y314 WeakPolarHBondContact CA-O 3.47Å; C295-C316 HydrophobicContact CB-CB 3.91Å; C295-C316 PolarHBondContact SG-N 2.98Å |
| 296 | V | 92.1 | Very high | 79.6 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 47% | 0.473 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -33.2 | -175.5 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | E294 H313 Y314 L315 | E294-V296 PolarHBondContact O-N 3.22Å; V296-H313 HydrophobicContact CG1-CB 4.03Å; V296-H313 HydrophobicContact CG2-CB 3.9Å; V296-Y314 PolarHBondContact N-O 3.48Å; V296-L315 HydrophobicContact CG2-CD2 3.68Å; V296-L315 HydrophobicContact CG2-CG 4.5Å |
| 297 | N | 90.7 | Very high | 81.9 | Confident | 26 Ų | 26 | 80 Ų | 80 | 14% | 0.139 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -59.2 | 177.5 | 175.7 | -78 | 0 | 0 | 0 | 111.8 | C295 L315 C319 N329 R330 L332 | C295-N297 VanDerWaalsContact C-N 3.26Å; C295-N297 PolarHBondContact O-N 2.96Å; N297-L315 HydrophobicContact CB-CD2 3.9Å; N297-C319 HydrophobicContact CB-CB 4.1Å; N297-C319 PolarHBondContact OD1-SG 2.84Å; N297-N329 WeakPolarHBondContact ND2-CB 3.32Å; N297-N329 PolarHBondContact ND2-OD1 2.89Å; N297-R330 PolarHBondContact ND2-N 3.3Å; N297-L332 WeakPolarHBondContact OD1-CD1 3.38Å |
| 298 | C | 90 | Very high | 84.1 | Confident | 28 Ų | 28 | 76.6 Ų | 76.6 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -20.3 | -169.3 | 74.2 | 0 | 0 | 0 | 0 | 115.9 | C295 A300 C316 C319 L332 | C295-C298 PolarHBondContact O-N 3.11Å; C298-A300 PolarHBondContact SG-N 2.85Å; C298-A300 VanDerWaalsContact SG-N 3.45Å; C298-C316 PolarHBondContact SG-SG 3.32Å; C298-C319 VanDerWaalsContact SG-SG 3.62Å; C298-L332 HydrophobicContact CB-CD1 4Å; C298-L332 HydrophobicContact CB-CD2 4.09Å; C298-L332 HydrophobicContact CB-CG 4.44Å |
| 299 | G | 89.4 | Confident | 86.1 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 22% | 0.216 | 42% | 0.417 | C | S | . | . | | | trans | 82.7 | 9.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | E294 C295 T301 K336 | E294-G299 WeakPolarHBondContact OE2-CA 3.45Å; C295-G299 VanDerWaalsContact O-CA 3.28Å; C295-G299 WeakPolarHBondContact O-CA 3.44Å; C295-G299 PolarHBondContact O-N 3.42Å; G299-T301 PolarHBondContact O-N 3.49Å; G299-K336 VanDerWaalsContact N-NZ 3.16Å |
| 300 | A | 90.5 | Very high | 88.1 | Confident | 33 Ų | 33 | 73 Ų | 73 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | | | trans | -58.5 | 122.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | C295 C298 W306 C316 | C295-A300 HydrophobicContact CB-CB 4.41Å; C295-A300 PolarHBondContact N-O 3.15Å; C298-A300 PolarHBondContact SG-N 2.85Å; C298-A300 VanDerWaalsContact SG-N 3.45Å; A300-W306 WeakPolarHBondContact O-CH2 3.45Å; A300-C316 HydrophobicContact CB-CB 4.22Å |
| 301 | T | 92.3 | Very high | 89.8 | Confident | 101 Ų | 101 | 75 Ų | 75 | 62% | 0.62 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -88.5 | -19.6 | 173.7 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | R293 E294 G299 | R293-T301 WeakPolarHBondContact O-CA 3.39Å; E294-T301 HydrophobicContact CB-CG2 4.37Å; G299-T301 PolarHBondContact O-N 3.49Å |
| 302 | A | 89.9 | Confident | 91.1 | Very high | 81 Ų | 81 | 67.9 Ų | 67.9 | 67% | 0.669 | 42% | 0.422 | S | S | * | . | | | trans | -116.3 | 143.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 303 | T | 92.5 | Very high | 91.9 | Very high | 35 Ų | 35 | 68.5 Ų | 68.5 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | | | trans | -159.8 | 146.5 | 174.8 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | L305 W306 C316 N317 | T303-L305 WeakPolarHBondContact CG2-O 3.46Å; T303-L305 PolarHBondContact O-N 2.86Å; T303-L305 PolarHBondContact OG1-O 3.45Å; T303-W306 HydrophobicContact CG2-CD2 3.48Å; T303-W306 VanDerWaalsContact CG2-CD2 3.48Å; T303-W306 HydrophobicContact CG2-CE3 3.88Å; T303-W306 HydrophobicContact CG2-CG 3.81Å; T303-W306 HydrophobicContact CG2-CH2 4.29Å; T303-W306 HydrophobicContact CG2-CZ2 3.94Å; T303-W306 HydrophobicContact CG2-CZ3 4.27Å; T303-C316 HydrophobicContact CG2-CB 4.09Å; T303-C316 WeakPolarHBondContact OG1-CB 3.32Å; T303-N317 PolarHBondContact OG1-N 2.84Å |
| 304 | P | 92.4 | Very high | 92.1 | Very high | 126 Ų | 126 | 68.4 Ų | 68.4 | 82% | 0.818 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -65.3 | -23.3 | 176.5 | 24.8 | -35.5 | 0 | 0 | 0 | 113.6 | N317 | P304-N317 HydrophobicContact CG-CB 4.42Š|
| 305 | L | 93.8 | Very high | 92.2 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 45% | 0.45 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -149.4 | 125.8 | 174 | 179.7 | 62.2 | 0 | 0 | 0 | 110.7 | T303 N317 | T303-L305 WeakPolarHBondContact CG2-O 3.46Å; T303-L305 PolarHBondContact O-N 2.86Å; T303-L305 PolarHBondContact OG1-O 3.45Å; L305-N317 HydrophobicContact CB-CB 4.12Å; L305-N317 WeakPolarHBondContact O-CA 3.3Å; L305-N317 WeakPolarHBondContact O-CB 3.32Å; L305-N317 PolarHBondContact O-N 3.01Å |
| 306 | W | 95.1 | Very high | 92.3 | Very high | 75 Ų | 75 | 66 Ų | 66 | 28% | 0.284 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 132.9 | 168.7 | -73.8 | 106.6 | 0 | 0 | 0 | 110.2 | R293 C295 A300 T303 | R293-W306 HydrophobicContact CB-CH2 3.91Å; R293-W306 HydrophobicContact CB-CZ2 3.63Å; R293-W306 WeakPolarHBondContact O-CH2 3.43Å; R293-W306 WeakPolarHBondContact O-CZ2 3.37Å; C295-W306 HydrophobicContact CB-CZ3 4.18Å; A300-W306 WeakPolarHBondContact O-CH2 3.45Å; T303-W306 HydrophobicContact CG2-CD2 3.48Å; T303-W306 VanDerWaalsContact CG2-CD2 3.48Å; T303-W306 HydrophobicContact CG2-CE3 3.88Å; T303-W306 HydrophobicContact CG2-CG 3.81Å; T303-W306 HydrophobicContact CG2-CH2 4.29Å; T303-W306 HydrophobicContact CG2-CZ2 3.94Å; T303-W306 HydrophobicContact CG2-CZ3 4.27Å |
| 307 | R | 95 | Very high | 92.5 | Very high | 86 Ų | 86 | 64.1 Ų | 64.1 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 162.2 | 172 | -64.6 | -177.7 | -179.9 | -84.7 | -2.9 | 109.4 | L315 N317 | R307-L315 HydrophobicContact CB-CB 4.45Å; R307-L315 PolarHBondContact N-O 3Å; R307-L315 PolarHBondContact O-N 3.26Å; R307-N317 VanDerWaalsContact CZ-OD1 3.31Å; R307-N317 PolarHBondContact NE-OD1 3.45Å; R307-N317 PolarHBondContact NH2-OD1 2.97Å |
| 308 | R | 95.1 | Very high | 92.6 | Very high | 145 Ų | 145 | 65.1 Ų | 65.1 | 55% | 0.547 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 152.1 | 166.1 | -63 | -175.7 | -174.5 | -81.6 | 2 | 110.2 | G312 H313 Y314 | R308-G312 PolarHBondContact NH1-O 2.67Å; R308-H313 VanDerWaalsContact CA-O 3.27Å; R308-H313 WeakPolarHBondContact CA-O 3.33Å; R308-Y314 VanDerWaalsContact NH1-CE1 3.31Å; R308-Y314 VanDerWaalsContact NH1-CZ 3.25Å; R308-Y314 PolarHBondContact NH1-OH 3.45Å; R308-Y314 PolarHBondContact NH2-OH 2.89Å |
| 309 | D | 89.8 | Confident | 92.8 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | | | trans | -81.4 | 176.8 | 158.4 | 72.3 | -11.9 | 0 | 0 | 0 | 110.1 | T311 G312 H313 L315 | D309-T311 VanDerWaalsContact CG-OG1 3.24Å; D309-T311 PolarHBondContact O-N 3.14Å; D309-T311 VanDerWaalsContact O-N 3.14Å; D309-T311 VanDerWaalsContact OD1-C 3.23Å; D309-T311 WeakPolarHBondContact OD1-CA 3.48Å; D309-T311 WeakPolarHBondContact OD1-CB 3.37Å; D309-T311 PolarHBondContact OD1-N 2.75Å; D309-T311 PolarHBondContact OD1-OG1 3.29Å; D309-T311 WeakPolarHBondContact OD2-CB 3.4Å; D309-T311 PolarHBondContact OD2-OG1 3.16Å; D309-G312 PolarHBondContact O-N 2.93Å; D309-G312 VanDerWaalsContact O-N 3.08Å; D309-G312 PolarHBondContact OD1-N 3.26Å; D309-H313 PolarHBondContact N-O 3.08Å; D309-H313 WeakPolarHBondContact OD1-CB 3.43Å; D309-H313 IonicContact OD1-CG 3.39Å; D309-H313 PolarHBondContact OD1-N 3.03Å; D309-H313 IonicContact OD1-ND1 3.86Å; D309-H313 PolarHBondContact OD1-ND1 3.45Å; D309-H313 IonicContact OD2-CE1 3.45Å; D309-H313 IonicContact OD2-CG 3.19Å; D309-H313 IonicContact OD2-ND1 2.75Å; D309-H313 PolarHBondContact OD2-ND1 2.91Å; D309-L315 HydrophobicContact CB-CD1 4.17Å |
| 310 | G | 89.2 | Confident | 93.1 | Very high | 97 Ų | 97 | 63.4 Ų | 63.4 | 100% | 1 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 311 | T | 91.4 | Very high | 93.3 | Very high | 108 Ų | 108 | 65.7 Ų | 65.7 | 66% | 0.663 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.2 | 176.2 | -12.6 | 0 | 0 | 0 | 0 | 112.8 | D309 H313 | D309-T311 VanDerWaalsContact CG-OG1 3.24Å; D309-T311 PolarHBondContact O-N 3.14Å; D309-T311 VanDerWaalsContact O-N 3.14Å; D309-T311 VanDerWaalsContact OD1-C 3.23Å; D309-T311 WeakPolarHBondContact OD1-CA 3.48Å; D309-T311 WeakPolarHBondContact OD1-CB 3.37Å; D309-T311 PolarHBondContact OD1-N 2.75Å; D309-T311 PolarHBondContact OD1-OG1 3.29Å; D309-T311 WeakPolarHBondContact OD2-CB 3.4Å; D309-T311 PolarHBondContact OD2-OG1 3.16Å; T311-H313 WeakPolarHBondContact CB-ND1 3.39Å; T311-H313 PolarHBondContact O-N 3.24Å |
| 312 | G | 90.6 | Very high | 93.4 | Very high | 33 Ų | 33 | 64 Ų | 64 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | | | trans | 83.5 | -4.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116.4 | R308 D309 | R308-G312 PolarHBondContact NH1-O 2.67Å; D309-G312 PolarHBondContact O-N 2.93Å; D309-G312 VanDerWaalsContact O-N 3.08Å; D309-G312 PolarHBondContact OD1-N 3.26Å |
| 313 | H | 93.3 | Very high | 93.5 | Very high | 89 Ų | 89 | 64 Ų | 64 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | | | trans | -62.6 | 142.6 | 179.7 | -61.3 | 114.7 | 0 | 0 | 0 | 112.4 | V296 R308 D309 T311 L315 | V296-H313 HydrophobicContact CG1-CB 4.03Å; V296-H313 HydrophobicContact CG2-CB 3.9Å; R308-H313 VanDerWaalsContact CA-O 3.27Å; R308-H313 WeakPolarHBondContact CA-O 3.33Å; D309-H313 PolarHBondContact N-O 3.08Å; D309-H313 WeakPolarHBondContact OD1-CB 3.43Å; D309-H313 IonicContact OD1-CG 3.39Å; D309-H313 PolarHBondContact OD1-N 3.03Å; D309-H313 IonicContact OD1-ND1 3.86Å; D309-H313 PolarHBondContact OD1-ND1 3.45Å; D309-H313 IonicContact OD2-CE1 3.45Å; D309-H313 IonicContact OD2-CG 3.19Å; D309-H313 IonicContact OD2-ND1 2.75Å; D309-H313 PolarHBondContact OD2-ND1 2.91Å; T311-H313 WeakPolarHBondContact CB-ND1 3.39Å; T311-H313 PolarHBondContact O-N 3.24Å; H313-L315 PolarHBondContact O-N 2.91Å |
| 314 | Y | 94.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 71.2 Ų | 71.2 | 30% | 0.302 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.9 | 175.4 | -63.5 | -76.4 | 0 | 0 | 0 | 112.3 | R293 C295 V296 R308 | R293-Y314 HydrophobicContact CG-CD1 4.36Å; R293-Y314 HydrophobicContact CG-CD2 4.31Å; R293-Y314 HydrophobicContact CG-CE1 4.38Å; R293-Y314 HydrophobicContact CG-CE2 4.33Å; R293-Y314 HydrophobicContact CG-CG 4.33Å; C295-Y314 WeakPolarHBondContact CA-O 3.47Å; V296-Y314 PolarHBondContact N-O 3.48Å; R308-Y314 VanDerWaalsContact NH1-CE1 3.31Å; R308-Y314 VanDerWaalsContact NH1-CZ 3.25Å; R308-Y314 PolarHBondContact NH1-OH 3.45Å; R308-Y314 PolarHBondContact NH2-OH 2.89Å |
| 315 | L | 94.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.1 | 170.5 | -68 | 174.6 | 0 | 0 | 0 | 110 | V296 N297 R307 D309 H313 C319 | V296-L315 HydrophobicContact CG2-CD2 3.68Å; V296-L315 HydrophobicContact CG2-CG 4.5Å; N297-L315 HydrophobicContact CB-CD2 3.9Å; R307-L315 HydrophobicContact CB-CB 4.45Å; R307-L315 PolarHBondContact N-O 3Å; R307-L315 PolarHBondContact O-N 3.26Å; D309-L315 HydrophobicContact CB-CD1 4.17Å; H313-L315 PolarHBondContact O-N 2.91Å; L315-C319 HydrophobicContact CD2-CB 4.23Å |
| 316 | C | 95.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 71.9 Ų | 71.9 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 157.6 | 167.9 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | C295 C298 A300 T303 A318 C319 G320 | C295-C316 HydrophobicContact CB-CB 3.91Å; C295-C316 PolarHBondContact SG-N 2.98Å; C298-C316 PolarHBondContact SG-SG 3.32Å; A300-C316 HydrophobicContact CB-CB 4.22Å; T303-C316 HydrophobicContact CG2-CB 4.09Å; T303-C316 WeakPolarHBondContact OG1-CB 3.32Å; C316-A318 VanDerWaalsContact C-N 3.28Å; C316-A318 PolarHBondContact O-N 3.38Å; C316-A318 VanDerWaalsContact O-N 3.14Å; C316-C319 PolarHBondContact O-N 3.22Å; C316-C319 PolarHBondContact SG-SG 2.88Å; C316-G320 PolarHBondContact O-N 3.14Å |
| 317 | N | 95.8 | Very high | 93 | Very high | 39 Ų | 39 | 71.1 Ų | 71.1 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -48.4 | -48.8 | -174.6 | -168.7 | 30.6 | 0 | 0 | 0 | 112.7 | T303 P304 L305 R307 C319 G320 L321 | T303-N317 PolarHBondContact OG1-N 2.84Å; P304-N317 HydrophobicContact CG-CB 4.42Å; L305-N317 HydrophobicContact CB-CB 4.12Å; L305-N317 WeakPolarHBondContact O-CA 3.3Å; L305-N317 WeakPolarHBondContact O-CB 3.32Å; L305-N317 PolarHBondContact O-N 3.01Å; R307-N317 VanDerWaalsContact CZ-OD1 3.31Å; R307-N317 PolarHBondContact NE-OD1 3.45Å; R307-N317 PolarHBondContact NH2-OD1 2.97Å; N317-C319 PolarHBondContact O-N 3.37Å; N317-G320 PolarHBondContact O-N 3.3Å; N317-L321 WeakPolarHBondContact O-CB 3.32Å; N317-L321 VanDerWaalsContact O-CG 3.3Å; N317-L321 WeakPolarHBondContact O-CG 3.42Å; N317-L321 PolarHBondContact O-N 3.4Å; N317-L321 WeakPolarHBondContact OD1-CD1 3.27Å |
| 318 | A | 94.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 73.4 Ų | 73.4 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65 | -32.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | C316 Y322 | C316-A318 VanDerWaalsContact C-N 3.28Å; C316-A318 PolarHBondContact O-N 3.38Å; C316-A318 VanDerWaalsContact O-N 3.14Å; A318-Y322 VanDerWaalsContact O-CB 3.32Å; A318-Y322 WeakPolarHBondContact O-CB 3.43Å; A318-Y322 PolarHBondContact O-N 3.27Å |
| 319 | C | 94.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.014 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -81.1 | -38 | 177.6 | -65 | 0 | 0 | 0 | 0 | 111.8 | N297 C298 L315 C316 N317 H323 | N297-C319 HydrophobicContact CB-CB 4.1Å; N297-C319 PolarHBondContact OD1-SG 2.84Å; C298-C319 VanDerWaalsContact SG-SG 3.62Å; L315-C319 HydrophobicContact CD2-CB 4.23Å; C316-C319 PolarHBondContact O-N 3.22Å; C316-C319 PolarHBondContact SG-SG 2.88Å; N317-C319 PolarHBondContact O-N 3.37Å; C319-H323 WeakPolarHBondContact O-CB 3.35Å; C319-H323 PolarHBondContact O-N 2.94Å |
| 320 | G | 94.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 75 Ų | 75 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C316 N317 K324 | C316-G320 PolarHBondContact O-N 3.14Å; N317-G320 PolarHBondContact O-N 3.3Å; G320-K324 WeakPolarHBondContact O-CB 3.41Å; G320-K324 PolarHBondContact O-N 2.94Å |
| 321 | L | 94.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 74.2 Ų | 74.2 | 43% | 0.429 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 172.5 | -74.6 | 170.9 | 0 | 0 | 0 | 111.5 | N317 H323 K324 M325 | N317-L321 WeakPolarHBondContact O-CB 3.32Å; N317-L321 VanDerWaalsContact O-CG 3.3Å; N317-L321 WeakPolarHBondContact O-CG 3.42Å; N317-L321 PolarHBondContact O-N 3.4Å; N317-L321 WeakPolarHBondContact OD1-CD1 3.27Å; L321-H323 PolarHBondContact O-N 3.42Å; L321-K324 PolarHBondContact O-N 3.41Å; L321-M325 WeakPolarHBondContact O-CB 3.42Å; L321-M325 PolarHBondContact O-N 2.82Å |
| 322 | Y | 94.3 | Very high | 91.6 | Very high | 66 Ų | 66 | 71.9 Ų | 71.9 | 26% | 0.259 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 176.6 | -170.2 | -82.4 | 0 | 0 | 0 | 111.8 | A318 K324 M325 N326 Q328 R330 P331 | A318-Y322 VanDerWaalsContact O-CB 3.32Å; A318-Y322 WeakPolarHBondContact O-CB 3.43Å; A318-Y322 PolarHBondContact O-N 3.27Å; Y322-K324 VanDerWaalsContact C-N 3.34Å; Y322-K324 PolarHBondContact O-N 3.14Å; Y322-M325 PolarHBondContact O-N 2.93Å; Y322-N326 HydrophobicContact CD1-CB 4.15Å; Y322-N326 WeakPolarHBondContact CD2-OD1 3.42Å; Y322-N326 HydrophobicContact CE1-CB 3.8Å; Y322-N326 WeakPolarHBondContact CE2-OD1 3.49Å; Y322-N326 WeakPolarHBondContact O-CB 3.48Å; Y322-N326 PolarHBondContact O-N 2.97Å; Y322-N326 PolarHBondContact O-OD1 3.07Å; Y322-Q328 WeakPolarHBondContact CD1-O 3.42Å; Y322-R330 HydrophobicContact CD1-CB 3.73Å; Y322-R330 HydrophobicContact CD1-CG 4.13Å; Y322-R330 HydrophobicContact CD2-CG 4.04Å; Y322-R330 HydrophobicContact CE1-CB 4.33Å; Y322-R330 HydrophobicContact CG-CB 3.84Å; Y322-R330 HydrophobicContact CG-CG 3.81Å; Y322-P331 VanDerWaalsContact CZ-CD 3.44Å; Y322-P331 WeakPolarHBondContact OH-CD 3.42Å |
| 323 | H | 92.8 | Very high | 90.9 | Very high | 79 Ų | 79 | 78.6 Ų | 78.6 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.1 | -169.7 | -74.9 | 0 | 0 | 0 | 112.5 | C319 L321 G327 Q328 | C319-H323 WeakPolarHBondContact O-CB 3.35Å; C319-H323 PolarHBondContact O-N 2.94Å; L321-H323 PolarHBondContact O-N 3.42Å; H323-G327 WeakPolarHBondContact O-CA 3.48Å; H323-G327 PolarHBondContact O-N 3.18Å; H323-G327 VanDerWaalsContact O-N 3.11Å; H323-Q328 WeakPolarHBondContact CA-O 3.2Å |
| 324 | K | 92.3 | Very high | 89.8 | Confident | 187 Ų | 187 | 83 Ų | 83 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | 176.1 | -163.7 | -171 | 179.9 | -166.8 | 0 | 112.2 | G320 L321 Y322 | G320-K324 WeakPolarHBondContact O-CB 3.41Å; G320-K324 PolarHBondContact O-N 2.94Å; L321-K324 PolarHBondContact O-N 3.41Å; Y322-K324 VanDerWaalsContact C-N 3.34Å; Y322-K324 PolarHBondContact O-N 3.14Å |
| 325 | M | 89 | Confident | 88.2 | Confident | 154 Ų | 154 | 84.6 Ų | 84.6 | 76% | 0.759 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -84.7 | -36.3 | -174.4 | -170.5 | 169 | 71 | 0 | 0 | 113.6 | L321 Y322 | L321-M325 WeakPolarHBondContact O-CB 3.42Å; L321-M325 PolarHBondContact O-N 2.82Å; Y322-M325 PolarHBondContact O-N 2.93Å |
| 326 | N | 92.8 | Very high | 86.7 | Confident | 72 Ų | 72 | 87.3 Ų | 87.3 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -108.3 | -4.4 | -173.2 | -60.5 | 97.1 | 0 | 0 | 0 | 113.7 | Y322 Q328 | Y322-N326 HydrophobicContact CD1-CB 4.15Å; Y322-N326 WeakPolarHBondContact CD2-OD1 3.42Å; Y322-N326 HydrophobicContact CE1-CB 3.8Å; Y322-N326 WeakPolarHBondContact CE2-OD1 3.49Å; Y322-N326 WeakPolarHBondContact O-CB 3.48Å; Y322-N326 PolarHBondContact O-N 2.97Å; Y322-N326 PolarHBondContact O-OD1 3.07Å; N326-Q328 PolarHBondContact O-N 2.94Å |
| 327 | G | 89.4 | Confident | 84.9 | Confident | 59 Ų | 59 | 97 Ų | 97 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 62.3 | 13 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H323 | H323-G327 WeakPolarHBondContact O-CA 3.48Å; H323-G327 PolarHBondContact O-N 3.18Å; H323-G327 VanDerWaalsContact O-N 3.11Å |
| 328 | Q | 90 | Very high | 83.1 | Confident | 135 Ų | 135 | 102.3 Ų | 102.3 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -138.1 | 162.3 | -170.7 | -67.9 | -168.4 | 18.7 | 0 | 0 | 112.3 | Y322 H323 N326 | Y322-Q328 WeakPolarHBondContact CD1-O 3.42Å; H323-Q328 WeakPolarHBondContact CA-O 3.2Å; N326-Q328 PolarHBondContact O-N 2.94Å |
| 329 | N | 87.7 | Confident | 81.4 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 132.7 | 173.4 | -88 | -57 | 0 | 0 | 0 | 111.1 | N297 | N297-N329 WeakPolarHBondContact ND2-CB 3.32Å; N297-N329 PolarHBondContact ND2-OD1 2.89Å |
| 330 | R | 87.9 | Confident | 79.5 | Confident | 110 Ų | 110 | 108.8 Ų | 108.8 | 42% | 0.415 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 125.4 | 178.2 | -168.2 | 172.2 | -174.1 | -104.5 | 2.6 | 110.8 | N297 Y322 L332 | N297-R330 PolarHBondContact ND2-N 3.3Å; Y322-R330 HydrophobicContact CD1-CB 3.73Å; Y322-R330 HydrophobicContact CD1-CG 4.13Å; Y322-R330 HydrophobicContact CD2-CG 4.04Å; Y322-R330 HydrophobicContact CE1-CB 4.33Å; Y322-R330 HydrophobicContact CG-CB 3.84Å; Y322-R330 HydrophobicContact CG-CG 3.81Å; R330-L332 VanDerWaalsContact O-CD1 3.32Å; R330-L332 WeakPolarHBondContact O-CD1 3.36Å; R330-L332 PolarHBondContact O-N 2.95Å |
| 331 | P | 84.1 | Confident | 77.7 | Confident | 82 Ų | 82 | 111 Ų | 111 | 53% | 0.532 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 130.7 | 176.7 | 27.1 | -33 | 0 | 0 | 0 | 110.2 | Y322 | Y322-P331 VanDerWaalsContact CZ-CD 3.44Å; Y322-P331 WeakPolarHBondContact OH-CD 3.42Å |
| 332 | L | 81 | Confident | 75.9 | Confident | 59 Ų | 59 | 107.9 Ų | 107.9 | 31% | 0.309 | 54% | 0.542 | S | S | . | . | | | trans | -96.7 | 97.5 | 180 | -97.2 | 72.7 | 0 | 0 | 0 | 110.5 | N297 C298 R330 K334 K336 | N297-L332 WeakPolarHBondContact OD1-CD1 3.38Å; C298-L332 HydrophobicContact CB-CD1 4Å; C298-L332 HydrophobicContact CB-CD2 4.09Å; C298-L332 HydrophobicContact CB-CG 4.44Å; R330-L332 VanDerWaalsContact O-CD1 3.32Å; R330-L332 WeakPolarHBondContact O-CD1 3.36Å; R330-L332 PolarHBondContact O-N 2.95Å; L332-K334 CarbonylContact O-C 3.5Å; L332-K334 PolarHBondContact O-N 3.47Å; L332-K336 HydrophobicContact CD2-CB 3.75Å; L332-K336 HydrophobicContact CD2-CG 4.49Å |
| 333 | I | 75.6 | Confident | 74.1 | Confident | 173 Ų | 173 | 114.7 Ų | 114.7 | 89% | 0.887 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -53.9 | -34.5 | 178.8 | -59 | 170 | 0 | 0 | 0 | 112 | | |
| 334 | K | 70.8 | Confident | 72.7 | Confident | 181 Ų | 181 | 118.1 Ų | 118.1 | 79% | 0.787 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -103.3 | 119.4 | 166.2 | -139.6 | 80.1 | 172.1 | -174.3 | 0 | 107.9 | L332 K336 | L332-K334 CarbonylContact O-C 3.5Å; L332-K334 PolarHBondContact O-N 3.47Å; K334-K336 PolarHBondContact O-N 3.02Å |
| 335 | P | 61.9 | Low | 71.5 | Confident | 112 Ų | 112 | 114.2 Ų | 114.2 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | | | trans | -52.5 | 129.7 | 175.6 | -28.7 | 35.7 | 0 | 0 | 0 | 111.2 | R337 | P335-R337 PolarHBondContact O-N 3.29Š|
| 336 | K | 61.9 | Low | 71.2 | Confident | 67 Ų | 67 | 111 Ų | 111 | 29% | 0.291 | 59% | 0.585 | S | S | . | * | | | trans | -51.4 | 97.8 | -175.8 | 179.4 | 171.9 | 154.1 | 74.4 | 0 | 110.5 | E294 G299 L332 K334 R338 | E294-K336 IonicContact OE2-NZ 2.67Å; E294-K336 PolarHBondContact OE2-NZ 3.06Å; G299-K336 VanDerWaalsContact N-NZ 3.16Å; L332-K336 HydrophobicContact CD2-CB 3.75Å; L332-K336 HydrophobicContact CD2-CG 4.49Å; K334-K336 PolarHBondContact O-N 3.02Å; K336-R338 HydrophobicContact CD-CG 4.18Å; K336-R338 HydrophobicContact CG-CG 3.89Å; K336-R338 PolarHBondContact O-N 3.16Å |
| 337 | R | 58.7 | Low | 71.2 | Confident | 211 Ų | 211 | 109 Ų | 109 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | | | trans | -62.1 | 85.7 | 157.6 | -89.8 | -173 | 66.1 | 105.4 | -4.8 | 106.6 | P335 L339 | P335-R337 PolarHBondContact O-N 3.29Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.43Å |
| 338 | R | 57.8 | Low | 71.5 | Confident | 151 Ų | 151 | 109.1 Ų | 109.1 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | | | trans | -58.9 | 107.4 | 158.2 | -68.9 | -163.5 | 84.2 | -166.1 | 7.8 | 105.6 | E294 K336 S340 | E294-R338 IonicContact OE1-CZ 3.9Å; E294-R338 IonicContact OE1-NE 2.86Å; E294-R338 IonicContact OE1-NH2 3.45Å; E294-R338 PolarHBondContact OE1-NH2 3.31Å; K336-R338 HydrophobicContact CD-CG 4.18Å; K336-R338 HydrophobicContact CG-CG 3.89Å; K336-R338 PolarHBondContact O-N 3.16Å; R338-S340 PolarHBondContact O-N 3.15Å |
| 339 | L | 57.9 | Low | 71.8 | Confident | 139 Ų | 139 | 102.7 Ų | 102.7 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | | | trans | -68 | 64.7 | 151.9 | -67.6 | 163 | 0 | 0 | 0 | 106.6 | R337 | R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.43Å |
| 340 | S | 55.5 | Low | 72.2 | Confident | 45 Ų | 45 | 100.1 Ų | 100.1 | 32% | 0.315 | 53% | 0.531 | S | S | . | . | | | trans | -65.4 | 167.3 | 174.7 | 52 | 0 | 0 | 0 | 0 | 109.2 | R338 A342 | R338-S340 PolarHBondContact O-N 3.15Å; S340-A342 PolarHBondContact O-N 2.89Å |
| 341 | A | 56 | Low | 72.6 | Confident | 56 Ų | 56 | 96.4 Ų | 96.4 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -65.2 | 24.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R343 R344 W360 | A341-R343 PolarHBondContact O-N 3.32Å; A341-R344 HydrophobicContact CB-CG 4.19Å; A341-R344 PolarHBondContact O-N 2.89Å; A341-W360 PolarHBondContact O-NE1 2.95Å; A341-W360 VanDerWaalsContact O-NE1 3.08Å |
| 342 | A | 56.8 | Low | 73.2 | Confident | 18 Ų | 18 | 92.7 Ų | 92.7 | 15% | 0.149 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -61.8 | -20.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S340 T357 | S340-A342 PolarHBondContact O-N 2.89Å; A342-T357 WeakPolarHBondContact CA-O 3.39Å; A342-T357 WeakPolarHBondContact CB-O 3.17Å |
| 343 | R | 56.3 | Low | 73.9 | Confident | 208 Ų | 208 | 95.3 Ų | 95.3 | 79% | 0.785 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -117.9 | 60.6 | 169.1 | -59.8 | -162.6 | -53.1 | -175 | 6 | 111.4 | A341 A345 | A341-R343 PolarHBondContact O-N 3.32Å; R343-A345 PolarHBondContact O-N 2.77Å |
| 344 | R | 63.5 | Low | 74.7 | Confident | 151 Ų | 151 | 88.5 Ų | 88.5 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | | | trans | -68.3 | 119 | 152.2 | -68 | -176.7 | -162.3 | -147.8 | 4.6 | 106.1 | A341 G346 T347 | A341-R344 HydrophobicContact CB-CG 4.19Å; A341-R344 PolarHBondContact O-N 2.89Å; R344-G346 PolarHBondContact O-N 3.03Å; R344-T347 VanDerWaalsContact CB-OG1 3.22Å; R344-T347 WeakPolarHBondContact CB-OG1 3.37Å; R344-T347 PolarHBondContact O-N 2.67Å |
| 345 | A | 67.8 | Low | 75.8 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 87% | 0.868 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 138.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110 | R343 T347 | R343-A345 PolarHBondContact O-N 2.77Å; A345-T347 PolarHBondContact O-N 2.96Å; A345-T347 VanDerWaalsContact O-N 3.16Å |
| 346 | G | 82.8 | Confident | 77.2 | Confident | 86 Ų | 86 | 81.1 Ų | 81.1 | 89% | 0.887 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | -4.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | R344 C348 | R344-G346 PolarHBondContact O-N 3.03Å; G346-C348 PolarHBondContact O-N 2.77Å |
| 347 | T | 92.3 | Very high | 78.6 | Confident | 32 Ų | 32 | 78.4 Ų | 78.4 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | | | trans | -84.3 | 116.5 | 178.1 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | R344 A345 W360 P368 | R344-T347 VanDerWaalsContact CB-OG1 3.22Å; R344-T347 WeakPolarHBondContact CB-OG1 3.37Å; R344-T347 PolarHBondContact O-N 2.67Å; A345-T347 PolarHBondContact O-N 2.96Å; A345-T347 VanDerWaalsContact O-N 3.16Å; T347-W360 HydrophobicContact CG2-CD2 3.8Å; T347-W360 HydrophobicContact CG2-CE3 3.88Å; T347-W360 HydrophobicContact CG2-CH2 3.75Å; T347-W360 HydrophobicContact CG2-CZ2 3.64Å; T347-W360 HydrophobicContact CG2-CZ3 3.86Å; T347-W360 WeakPolarHBondContact O-CH2 3.46Å; T347-W360 WeakPolarHBondContact O-CZ2 3.49Å; T347-P368 HydrophobicContact CG2-CB 3.8Å; T347-P368 HydrophobicContact CG2-CG 4.29Å |
| 348 | C | 94.4 | Very high | 80.1 | Confident | 60 Ų | 60 | 72.7 Ų | 72.7 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | | | trans | -114.4 | 165.5 | 171.7 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | G346 T355 W360 P368 | G346-C348 PolarHBondContact O-N 2.77Å; C348-T355 HydrophobicContact CB-CG2 4.2Å; C348-W360 WeakPolarHBondContact O-CZ3 3.48Å; C348-P368 WeakPolarHBondContact O-CG 3.12Å |
| 349 | C | 96.3 | Very high | 81.7 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.007 | 41% | 0.413 | C | S | . | . | | | trans | -87.6 | 118.8 | 174.5 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | N351 C352 Q353 T354 W360 P368 C370 | C349-N351 PolarHBondContact O-N 3.45Å; C349-C352 PolarHBondContact O-N 3.36Å; C349-Q353 VanDerWaalsContact O-CA 3.25Å; C349-Q353 WeakPolarHBondContact O-CA 3.41Å; C349-Q353 PolarHBondContact O-N 3.31Å; C349-T354 WeakPolarHBondContact CB-O 3.28Å; C349-T354 PolarHBondContact N-O 3.47Å; C349-T354 VanDerWaalsContact N-O 3.12Å; C349-W360 HydrophobicContact CB-CZ3 4.29Å; C349-P368 WeakPolarHBondContact CA-O 3.43Å; C349-C370 HydrophobicContact CB-CB 3.97Å; C349-C370 PolarHBondContact SG-N 2.76Å |
| 350 | A | 96.8 | Very high | 83.5 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D367 P368 V369 | A350-D367 HydrophobicContact CB-CB 3.95Å; A350-P368 PolarHBondContact N-O 3.14Å; A350-V369 HydrophobicContact CB-CG1 4.26Å |
| 351 | N | 96.8 | Very high | 85.4 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 17% | 0.166 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -24 | -178 | 172.8 | -135.8 | 0 | 0 | 0 | 115.2 | C349 C373 N383 R384 L386 | C349-N351 PolarHBondContact O-N 3.45Å; N351-C373 HydrophobicContact CB-CB 4.25Å; N351-C373 WeakPolarHBondContact OD1-CB 3.37Å; N351-C373 PolarHBondContact OD1-SG 3.47Å; N351-N383 PolarHBondContact ND2-ND2 3.46Å; N351-R384 WeakPolarHBondContact OD1-CB 3.48Å; N351-R384 PolarHBondContact OD1-N 3.39Å; N351-L386 WeakPolarHBondContact O-CD2 3.18Å |
| 352 | C | 96.3 | Very high | 87.3 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.034 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | 10.4 | -174.2 | 78.2 | 0 | 0 | 0 | 0 | 115.4 | C349 T354 L386 K389 | C349-C352 PolarHBondContact O-N 3.36Å; C352-T354 PolarHBondContact O-N 2.81Å; C352-T354 PolarHBondContact O-OG1 3.28Å; C352-T354 PolarHBondContact SG-OG1 3.33Å; C352-L386 HydrophobicContact CB-CD2 4Å; C352-K389 WeakPolarHBondContact O-CE 3.22Å; C352-K389 PolarHBondContact O-NZ 3.26Å |
| 353 | Q | 95.3 | Very high | 89.2 | Confident | 114 Ų | 114 | 74.7 Ų | 74.7 | 53% | 0.533 | 40% | 0.403 | S | S | . | . | | | trans | 57 | -7.4 | 179.8 | -54.4 | 78.8 | 24.4 | 0 | 0 | 116 | C349 T355 | C349-Q353 VanDerWaalsContact O-CA 3.25Å; C349-Q353 WeakPolarHBondContact O-CA 3.41Å; C349-Q353 PolarHBondContact O-N 3.31Å; Q353-T355 PolarHBondContact O-N 3.38Å |
| 354 | T | 93.4 | Very high | 91 | Very high | 29 Ų | 29 | 69.3 Ų | 69.3 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | | | trans | -53.9 | 120.9 | 179 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | C349 C352 T356 W360 | C349-T354 WeakPolarHBondContact CB-O 3.28Å; C349-T354 PolarHBondContact N-O 3.47Å; C349-T354 VanDerWaalsContact N-O 3.12Å; C352-T354 PolarHBondContact O-N 2.81Å; C352-T354 PolarHBondContact O-OG1 3.28Å; C352-T354 PolarHBondContact SG-OG1 3.33Å; T354-T356 WeakPolarHBondContact CG2-O 3.47Å; T354-W360 WeakPolarHBondContact O-CH2 3.5Å |
| 355 | T | 93 | Very high | 92.5 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | | | trans | -85.4 | -13 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | C348 Q353 W360 | C348-T355 HydrophobicContact CB-CG2 4.2Å; Q353-T355 PolarHBondContact O-N 3.38Å; T355-W360 WeakPolarHBondContact O-CZ2 3.45Å |
| 356 | T | 91.1 | Very high | 93.7 | Very high | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | | | trans | -113.9 | 117.8 | -176 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | T354 | T354-T356 WeakPolarHBondContact CG2-O 3.47Š|
| 357 | T | 92.2 | Very high | 94.3 | Very high | 10 Ų | 10 | 64 Ų | 64 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | | | trans | -147.1 | 154.4 | 178.1 | -161.4 | 0 | 0 | 0 | 0 | 113.7 | A342 L359 W360 C370 N371 | A342-T357 WeakPolarHBondContact CA-O 3.39Å; A342-T357 WeakPolarHBondContact CB-O 3.17Å; T357-L359 VanDerWaalsContact C-N 3.34Å; T357-L359 WeakPolarHBondContact CG2-O 3.45Å; T357-W360 HydrophobicContact CG2-CD2 3.49Å; T357-W360 VanDerWaalsContact CG2-CD2 3.49Å; T357-W360 HydrophobicContact CG2-CE3 3.86Å; T357-W360 HydrophobicContact CG2-CG 3.84Å; T357-W360 HydrophobicContact CG2-CH2 4.3Å; T357-W360 HydrophobicContact CG2-CZ2 3.99Å; T357-W360 HydrophobicContact CG2-CZ3 4.25Å; T357-C370 HydrophobicContact CG2-CB 4.28Å; T357-C370 WeakPolarHBondContact OG1-CB 3.46Å; T357-N371 PolarHBondContact OG1-N 3.17Å; T357-N371 VanDerWaalsContact OG1-N 3.15Å |
| 358 | T | 90.6 | Very high | 94.5 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -73.2 | -26.9 | 178.5 | 52 | 0 | 0 | 0 | 0 | 113 | I393 | T358-I393 HydrophobicContact CG2-CG2 3.7Š|
| 359 | L | 92 | Very high | 94.6 | Very high | 89 Ų | 89 | 62.3 Ų | 62.3 | 47% | 0.466 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -154 | 124.9 | 175.9 | 174 | 62.9 | 0 | 0 | 0 | 109.4 | T357 R361 N371 | T357-L359 VanDerWaalsContact C-N 3.34Å; T357-L359 WeakPolarHBondContact CG2-O 3.45Å; L359-R361 HydrophobicContact CG-CG 4.47Å; L359-N371 HydrophobicContact CB-CB 4.14Å; L359-N371 WeakPolarHBondContact O-CA 3.42Å; L359-N371 WeakPolarHBondContact O-CB 3.35Å; L359-N371 PolarHBondContact O-N 3.49Å |
| 360 | W | 94.5 | Very high | 94.6 | Very high | 36 Ų | 36 | 62.6 Ų | 62.6 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.7 | 167.6 | -70.4 | 107.9 | 0 | 0 | 0 | 110.1 | A341 T347 C348 C349 T354 T355 T357 P368 | A341-W360 PolarHBondContact O-NE1 2.95Å; A341-W360 VanDerWaalsContact O-NE1 3.08Å; T347-W360 HydrophobicContact CG2-CD2 3.8Å; T347-W360 HydrophobicContact CG2-CE3 3.88Å; T347-W360 HydrophobicContact CG2-CH2 3.75Å; T347-W360 HydrophobicContact CG2-CZ2 3.64Å; T347-W360 HydrophobicContact CG2-CZ3 3.86Å; T347-W360 WeakPolarHBondContact O-CH2 3.46Å; T347-W360 WeakPolarHBondContact O-CZ2 3.49Å; C348-W360 WeakPolarHBondContact O-CZ3 3.48Å; C349-W360 HydrophobicContact CB-CZ3 4.29Å; T354-W360 WeakPolarHBondContact O-CH2 3.5Å; T355-W360 WeakPolarHBondContact O-CZ2 3.45Å; T357-W360 HydrophobicContact CG2-CD2 3.49Å; T357-W360 VanDerWaalsContact CG2-CD2 3.49Å; T357-W360 HydrophobicContact CG2-CE3 3.86Å; T357-W360 HydrophobicContact CG2-CG 3.84Å; T357-W360 HydrophobicContact CG2-CH2 4.3Å; T357-W360 HydrophobicContact CG2-CZ2 3.99Å; T357-W360 HydrophobicContact CG2-CZ3 4.25Å; W360-P368 HydrophobicContact CE3-CB 4.22Å; W360-P368 HydrophobicContact CZ3-CB 4.41Å |
| 361 | R | 95.7 | Very high | 94.6 | Very high | 84 Ų | 84 | 61.6 Ų | 61.6 | 32% | 0.317 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 173.9 | 174.4 | -65 | 179.6 | 178.2 | -82.9 | -3.6 | 109 | L359 V369 N371 | L359-R361 HydrophobicContact CG-CG 4.47Å; R361-V369 HydrophobicContact CB-CG2 3.91Å; R361-V369 PolarHBondContact N-O 3.25Å; R361-V369 PolarHBondContact O-N 2.94Å; R361-N371 PolarHBondContact NE-OD1 3.04Å; R361-N371 PolarHBondContact NH2-OD1 2.86Å |
| 362 | R | 96.3 | Very high | 94.7 | Very high | 191 Ų | 191 | 62.3 Ų | 62.3 | 72% | 0.721 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 150 | 165.9 | -63 | -175.3 | -176.8 | -87.2 | 10.4 | 110.4 | G366 D367 | R362-G366 VanDerWaalsContact CD-O 3.29Å; R362-G366 WeakPolarHBondContact CD-O 3.48Å; R362-G366 WeakPolarHBondContact CG-O 3.35Å; R362-G366 PolarHBondContact NH1-O 2.84Å; R362-D367 VanDerWaalsContact CA-O 3.23Å; R362-D367 WeakPolarHBondContact CA-O 3.35Å |
| 363 | N | 95.2 | Very high | 94.7 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | | | trans | -80.7 | -172.6 | 162.8 | 66.5 | -1.9 | 0 | 0 | 0 | 110.1 | N365 G366 D367 V369 | N363-N365 VanDerWaalsContact C-N 3.3Å; N363-N365 PolarHBondContact ND2-OD1 2.95Å; N363-N365 PolarHBondContact O-N 2.77Å; N363-N365 PolarHBondContact OD1-N 2.73Å; N363-N365 VanDerWaalsContact OD1-N 3.17Å; N363-G366 PolarHBondContact O-N 3.15Å; N363-G366 PolarHBondContact OD1-N 3.05Å; N363-D367 PolarHBondContact N-O 3.36Å; N363-D367 PolarHBondContact ND2-OD2 3.12Å; N363-D367 PolarHBondContact OD1-N 3.15Å; N363-D367 PolarHBondContact OD1-OD2 3.19Å; N363-V369 HydrophobicContact CB-CG1 4.18Å |
| 364 | A | 95 | Very high | 94.8 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 79% | 0.793 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -35.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G366 | A364-G366 PolarHBondContact O-N 2.89Š|
| 365 | N | 94.1 | Very high | 95 | Very high | 137 Ų | 137 | 60 Ų | 60 | 73% | 0.733 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -12.9 | 178.8 | -46.9 | 64.5 | 0 | 0 | 0 | 113.4 | N363 D367 | N363-N365 VanDerWaalsContact C-N 3.3Å; N363-N365 PolarHBondContact ND2-OD1 2.95Å; N363-N365 PolarHBondContact O-N 2.77Å; N363-N365 PolarHBondContact OD1-N 2.73Å; N363-N365 VanDerWaalsContact OD1-N 3.17Å; N365-D367 WeakPolarHBondContact CB-OD2 3.33Å |
| 366 | G | 94.4 | Very high | 95.2 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | | | trans | 97.8 | -10 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R362 N363 A364 | R362-G366 VanDerWaalsContact CD-O 3.29Å; R362-G366 WeakPolarHBondContact CD-O 3.48Å; R362-G366 WeakPolarHBondContact CG-O 3.35Å; R362-G366 PolarHBondContact NH1-O 2.84Å; N363-G366 PolarHBondContact O-N 3.15Å; N363-G366 PolarHBondContact OD1-N 3.05Å; A364-G366 PolarHBondContact O-N 2.89Å |
| 367 | D | 95 | Very high | 95.6 | Very high | 68 Ų | 68 | 60.9 Ų | 60.9 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | | | trans | -62.7 | 147.7 | -176.4 | -52.4 | -54.4 | 0 | 0 | 0 | 113.7 | A350 R362 N363 N365 V369 | A350-D367 HydrophobicContact CB-CB 3.95Å; R362-D367 VanDerWaalsContact CA-O 3.23Å; R362-D367 WeakPolarHBondContact CA-O 3.35Å; N363-D367 PolarHBondContact N-O 3.36Å; N363-D367 PolarHBondContact ND2-OD2 3.12Å; N363-D367 PolarHBondContact OD1-N 3.15Å; N363-D367 PolarHBondContact OD1-OD2 3.19Å; N365-D367 WeakPolarHBondContact CB-OD2 3.33Å; D367-V369 PolarHBondContact O-N 3.2Å |
| 368 | P | 96.2 | Very high | 95.8 | Very high | 49 Ų | 49 | 68.4 Ų | 68.4 | 32% | 0.318 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 123.8 | 173.1 | 28 | -34.4 | 0 | 0 | 0 | 111.9 | T347 C348 C349 A350 W360 | T347-P368 HydrophobicContact CG2-CB 3.8Å; T347-P368 HydrophobicContact CG2-CG 4.29Å; C348-P368 WeakPolarHBondContact O-CG 3.12Å; C349-P368 WeakPolarHBondContact CA-O 3.43Å; A350-P368 PolarHBondContact N-O 3.14Å; W360-P368 HydrophobicContact CE3-CB 4.22Å; W360-P368 HydrophobicContact CZ3-CB 4.41Å |
| 369 | V | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 148 | 170.9 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | A350 R361 N363 D367 | A350-V369 HydrophobicContact CB-CG1 4.26Å; R361-V369 HydrophobicContact CB-CG2 3.91Å; R361-V369 PolarHBondContact N-O 3.25Å; R361-V369 PolarHBondContact O-N 2.94Å; N363-V369 HydrophobicContact CB-CG1 4.18Å; D367-V369 PolarHBondContact O-N 3.2Å |
| 370 | C | 96.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 158.8 | 179.5 | 85.7 | 0 | 0 | 0 | 0 | 111.3 | C349 T357 A372 C373 G374 | C349-C370 HydrophobicContact CB-CB 3.97Å; C349-C370 PolarHBondContact SG-N 2.76Å; T357-C370 HydrophobicContact CG2-CB 4.28Å; T357-C370 WeakPolarHBondContact OG1-CB 3.46Å; C370-A372 PolarHBondContact O-N 3.34Å; C370-A372 VanDerWaalsContact O-N 3.12Å; C370-C373 PolarHBondContact O-N 3.43Å; C370-C373 VanDerWaalsContact O-N 3.15Å; C370-C373 PolarHBondContact SG-SG 2.77Å; C370-G374 PolarHBondContact O-N 2.87Å |
| 371 | N | 97.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 74.5 Ų | 74.5 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.3 | -35.6 | -177.1 | -175.6 | 61.7 | 0 | 0 | 0 | 113.5 | T357 L359 R361 L375 | T357-N371 PolarHBondContact OG1-N 3.17Å; T357-N371 VanDerWaalsContact OG1-N 3.15Å; L359-N371 HydrophobicContact CB-CB 4.14Å; L359-N371 WeakPolarHBondContact O-CA 3.42Å; L359-N371 WeakPolarHBondContact O-CB 3.35Å; L359-N371 PolarHBondContact O-N 3.49Å; R361-N371 PolarHBondContact NE-OD1 3.04Å; R361-N371 PolarHBondContact NH2-OD1 2.86Å; N371-L375 WeakPolarHBondContact ND2-CD1 3.49Å; N371-L375 VanDerWaalsContact O-CB 3.32Å; N371-L375 WeakPolarHBondContact O-CB 3.32Å; N371-L375 WeakPolarHBondContact O-CD1 3.23Å; N371-L375 WeakPolarHBondContact O-CG 3.29Å; N371-L375 PolarHBondContact O-N 2.78Å; N371-L375 VanDerWaalsContact O-N 3.15Å |
| 372 | A | 97.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 74.4 Ų | 74.4 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70 | -42.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C370 Y376 | C370-A372 PolarHBondContact O-N 3.34Å; C370-A372 VanDerWaalsContact O-N 3.12Å; A372-Y376 WeakPolarHBondContact O-CB 3.39Å; A372-Y376 PolarHBondContact O-N 3.17Å |
| 373 | C | 97.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.1 | -45.7 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | N351 C370 L375 Y376 Y377 R384 | N351-C373 HydrophobicContact CB-CB 4.25Å; N351-C373 WeakPolarHBondContact OD1-CB 3.37Å; N351-C373 PolarHBondContact OD1-SG 3.47Å; C370-C373 PolarHBondContact O-N 3.43Å; C370-C373 VanDerWaalsContact O-N 3.15Å; C370-C373 PolarHBondContact SG-SG 2.77Å; C373-L375 VanDerWaalsContact C-N 3.27Å; C373-L375 PolarHBondContact O-N 3.31Å; C373-Y376 PolarHBondContact O-N 3.45Å; C373-Y377 WeakPolarHBondContact O-CB 3.46Å; C373-Y377 PolarHBondContact O-N 3.42Å; C373-R384 HydrophobicContact CB-CB 4.39Å |
| 374 | G | 97.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 70 Ų | 70 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.6 | -18.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C370 K378 | C370-G374 PolarHBondContact O-N 2.87Å; G374-K378 WeakPolarHBondContact O-CB 3.49Å |
| 375 | L | 97.3 | Very high | 96.8 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 42% | 0.419 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -84 | -40.8 | 168.9 | -75.1 | 173.9 | 0 | 0 | 0 | 112 | N371 C373 K378 L379 | N371-L375 WeakPolarHBondContact ND2-CD1 3.49Å; N371-L375 VanDerWaalsContact O-CB 3.32Å; N371-L375 WeakPolarHBondContact O-CB 3.32Å; N371-L375 WeakPolarHBondContact O-CD1 3.23Å; N371-L375 WeakPolarHBondContact O-CG 3.29Å; N371-L375 PolarHBondContact O-N 2.78Å; N371-L375 VanDerWaalsContact O-N 3.15Å; C373-L375 VanDerWaalsContact C-N 3.27Å; C373-L375 PolarHBondContact O-N 3.31Å; L375-K378 PolarHBondContact O-N 3.32Å; L375-L379 PolarHBondContact O-N 2.94Å; L375-L379 VanDerWaalsContact O-N 3.16Å |
| 376 | Y | 98 | Very high | 96.8 | Very high | 50 Ų | 50 | 66 Ų | 66 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63 | -48.3 | 178.2 | -174.7 | -86.8 | 0 | 0 | 0 | 111.7 | A372 C373 K378 L379 H380 V382 N383 R384 M388 | A372-Y376 WeakPolarHBondContact O-CB 3.39Å; A372-Y376 PolarHBondContact O-N 3.17Å; C373-Y376 PolarHBondContact O-N 3.45Å; Y376-K378 VanDerWaalsContact C-N 3.25Å; Y376-K378 PolarHBondContact O-N 2.91Å; Y376-L379 PolarHBondContact O-N 3.25Å; Y376-H380 AromaticContact CD2-CD2 3.49Å; Y376-H380 VanDerWaalsContact CD2-CD2 3.49Å; Y376-H380 WeakPolarHBondContact CD2-CD2 3.49Å; Y376-H380 AromaticContact CD2-NE2 3.92Å; Y376-H380 HydrophobicContact CE1-CB 4.29Å; Y376-H380 AromaticContact CE2-CD2 3.42Å; Y376-H380 VanDerWaalsContact CE2-CD2 3.42Å; Y376-H380 WeakPolarHBondContact CE2-CD2 3.32Å; Y376-H380 AromaticContact CE2-NE2 3.77Å; Y376-H380 AromaticContact CG-CD2 3.84Å; Y376-H380 AromaticContact CZ-CD2 3.71Å; Y376-H380 PolarHBondContact O-CD2 2.73Å; Y376-H380 PolarHBondContact O-N 3.49Å; Y376-V382 WeakPolarHBondContact CD1-O 3.1Å; Y376-V382 HydrophobicContact CE1-CG2 4.12Å; Y376-N383 WeakPolarHBondContact CE1-O 3.44Å; Y376-R384 VanDerWaalsContact CD1-CA 3.41Å; Y376-R384 HydrophobicContact CD1-CB 3.66Å; Y376-R384 HydrophobicContact CD1-CG 3.95Å; Y376-R384 HydrophobicContact CD2-CG 4.09Å; Y376-R384 HydrophobicContact CE1-CB 4.28Å; Y376-R384 HydrophobicContact CE1-CG 4.46Å; Y376-R384 HydrophobicContact CG-CB 3.88Å; Y376-R384 HydrophobicContact CG-CG 3.73Å; Y376-M388 HydrophobicContact CE2-SD 3.89Å |
| 377 | Y | 97.6 | Very high | 96.9 | Very high | 108 Ų | 108 | 71.1 Ų | 71.1 | 42% | 0.424 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -33.9 | 176.6 | -170.4 | -86.5 | 0 | 0 | 0 | 112.4 | C373 L379 N381 V382 | C373-Y377 WeakPolarHBondContact O-CB 3.46Å; C373-Y377 PolarHBondContact O-N 3.42Å; Y377-L379 VanDerWaalsContact C-N 3.31Å; Y377-L379 PolarHBondContact O-N 3.29Å; Y377-N381 WeakPolarHBondContact CE2-O 3.4Å; Y377-N381 WeakPolarHBondContact O-CA 3.34Å; Y377-N381 PolarHBondContact O-N 3.08Å; Y377-V382 WeakPolarHBondContact CA-O 3.15Å; Y377-V382 WeakPolarHBondContact CD2-O 3.43Å |
| 378 | K | 96.8 | Very high | 96.8 | Very high | 167 Ų | 167 | 72.4 Ų | 72.4 | 73% | 0.726 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -71.1 | -23.5 | 175.2 | 172.7 | 162.1 | -72.2 | -142.9 | 0 | 113.5 | G374 L375 Y376 | G374-K378 WeakPolarHBondContact O-CB 3.49Å; L375-K378 PolarHBondContact O-N 3.32Å; Y376-K378 VanDerWaalsContact C-N 3.25Å; Y376-K378 PolarHBondContact O-N 2.91Å |
| 379 | L | 97.6 | Very high | 96.7 | Very high | 128 Ų | 128 | 73.7 Ų | 73.7 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -96.4 | -29.8 | -177.9 | -177 | 59.9 | 0 | 0 | 0 | 113.2 | L375 Y376 Y377 | L375-L379 PolarHBondContact O-N 2.94Å; L375-L379 VanDerWaalsContact O-N 3.16Å; Y376-L379 PolarHBondContact O-N 3.25Å; Y377-L379 VanDerWaalsContact C-N 3.31Å; Y377-L379 PolarHBondContact O-N 3.29Å |
| 380 | H | 97.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 80.1 Ų | 80.1 | 44% | 0.44 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -121.7 | -2.4 | -173.3 | -56.4 | -70.9 | 0 | 0 | 0 | 113.9 | Y376 V382 | Y376-H380 AromaticContact CD2-CD2 3.49Å; Y376-H380 VanDerWaalsContact CD2-CD2 3.49Å; Y376-H380 WeakPolarHBondContact CD2-CD2 3.49Å; Y376-H380 AromaticContact CD2-NE2 3.92Å; Y376-H380 HydrophobicContact CE1-CB 4.29Å; Y376-H380 AromaticContact CE2-CD2 3.42Å; Y376-H380 VanDerWaalsContact CE2-CD2 3.42Å; Y376-H380 WeakPolarHBondContact CE2-CD2 3.32Å; Y376-H380 AromaticContact CE2-NE2 3.77Å; Y376-H380 AromaticContact CG-CD2 3.84Å; Y376-H380 AromaticContact CZ-CD2 3.71Å; Y376-H380 PolarHBondContact O-CD2 2.73Å; Y376-H380 PolarHBondContact O-N 3.49Å; H380-V382 HydrophobicContact CB-CG2 3.97Å; H380-V382 PolarHBondContact O-N 3.21Å |
| 381 | N | 96.9 | Very high | 96 | Very high | 122 Ų | 122 | 87.3 Ų | 87.3 | 65% | 0.652 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 56.8 | 4.1 | -175.7 | -70.3 | 65.2 | 0 | 0 | 0 | 116.2 | Y377 | Y377-N381 WeakPolarHBondContact CE2-O 3.4Å; Y377-N381 WeakPolarHBondContact O-CA 3.34Å; Y377-N381 PolarHBondContact O-N 3.08Å |
| 382 | V | 96.9 | Very high | 95.5 | Very high | 82 Ų | 82 | 87.8 Ų | 87.8 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -118.4 | 156.7 | 178.2 | -62.8 | 0 | 0 | 0 | 0 | 112 | Y376 Y377 H380 | Y376-V382 WeakPolarHBondContact CD1-O 3.1Å; Y376-V382 HydrophobicContact CE1-CG2 4.12Å; Y377-V382 WeakPolarHBondContact CA-O 3.15Å; Y377-V382 WeakPolarHBondContact CD2-O 3.43Å; H380-V382 HydrophobicContact CB-CG2 3.97Å; H380-V382 PolarHBondContact O-N 3.21Å |
| 383 | N | 96.6 | Very high | 95.1 | Very high | 105 Ų | 105 | 89.7 Ų | 89.7 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 145.1 | 178.5 | -76.8 | 70.8 | 0 | 0 | 0 | 112.1 | N351 Y376 P385 | N351-N383 PolarHBondContact ND2-ND2 3.46Å; Y376-N383 WeakPolarHBondContact CE1-O 3.44Å; N383-P385 WeakPolarHBondContact O-CD 3.5Å |
| 384 | R | 97.5 | Very high | 94.7 | Very high | 45 Ų | 45 | 95.5 Ų | 95.5 | 17% | 0.17 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 122.8 | -178.8 | -168 | 176.5 | -177.9 | -79.7 | 0.2 | 110 | N351 C373 Y376 M388 | N351-R384 WeakPolarHBondContact OD1-CB 3.48Å; N351-R384 PolarHBondContact OD1-N 3.39Å; C373-R384 HydrophobicContact CB-CB 4.39Å; Y376-R384 VanDerWaalsContact CD1-CA 3.41Å; Y376-R384 HydrophobicContact CD1-CB 3.66Å; Y376-R384 HydrophobicContact CD1-CG 3.95Å; Y376-R384 HydrophobicContact CD2-CG 4.09Å; Y376-R384 HydrophobicContact CE1-CB 4.28Å; Y376-R384 HydrophobicContact CE1-CG 4.46Å; Y376-R384 HydrophobicContact CG-CB 3.88Å; Y376-R384 HydrophobicContact CG-CG 3.73Å; R384-M388 VanDerWaalsContact CZ-O 3.27Å; R384-M388 PolarHBondContact NH1-O 3.31Å; R384-M388 PolarHBondContact NH2-O 2.87Å |
| 385 | P | 96.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 101.3 Ų | 101.3 | 31% | 0.312 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 140.8 | -178.9 | 26.5 | -33.8 | 0 | 0 | 0 | 110.8 | N383 T387 M388 | N383-P385 WeakPolarHBondContact O-CD 3.5Å; P385-T387 PolarHBondContact O-N 2.7Å; P385-M388 HydrophobicContact CG-CG 3.96Å; P385-M388 HydrophobicContact CG-SD 3.8Å; P385-M388 PolarHBondContact O-N 3.17Å; P385-M388 VanDerWaalsContact O-N 3.11Å |
| 386 | L | 95.8 | Very high | 93.5 | Very high | 100 Ų | 100 | 107.7 Ų | 107.7 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -66.7 | -25.3 | -176.1 | -64.4 | -179.9 | 0 | 0 | 0 | 112.6 | N351 C352 M388 K389 | N351-L386 WeakPolarHBondContact O-CD2 3.18Å; C352-L386 HydrophobicContact CB-CD2 4Å; L386-M388 PolarHBondContact O-N 3.11Å; L386-M388 VanDerWaalsContact O-N 3.17Å; L386-K389 WeakPolarHBondContact O-CB 3.25Å; L386-K389 PolarHBondContact O-N 3.37Å |
| 387 | T | 95.3 | Very high | 92.5 | Very high | 133 Ų | 133 | 113.2 Ų | 113.2 | 82% | 0.816 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -57.1 | -26.1 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | P385 | P385-T387 PolarHBondContact O-N 2.7Š|
| 388 | M | 93.9 | Very high | 91.6 | Very high | 95 Ų | 95 | 119.3 Ų | 119.3 | 47% | 0.468 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -87.9 | -1.8 | 174.5 | -60.6 | -178.5 | 88.3 | 0 | 0 | 113.2 | Y376 R384 P385 L386 | Y376-M388 HydrophobicContact CE2-SD 3.89Å; R384-M388 VanDerWaalsContact CZ-O 3.27Å; R384-M388 PolarHBondContact NH1-O 3.31Å; R384-M388 PolarHBondContact NH2-O 2.87Å; P385-M388 HydrophobicContact CG-CG 3.96Å; P385-M388 HydrophobicContact CG-SD 3.8Å; P385-M388 PolarHBondContact O-N 3.17Å; P385-M388 VanDerWaalsContact O-N 3.11Å; L386-M388 PolarHBondContact O-N 3.11Å; L386-M388 VanDerWaalsContact O-N 3.17Å |
| 389 | K | 93 | Very high | 90.7 | Very high | 75 Ų | 75 | 121 Ų | 121 | 33% | 0.326 | 60% | 0.6 | S | S | . | * | | | trans | -64.4 | 135.4 | 177 | -177.1 | 177.1 | 169.9 | 174.4 | 0 | 108.8 | C352 L386 | C352-K389 WeakPolarHBondContact O-CE 3.22Å; C352-K389 PolarHBondContact O-NZ 3.26Å; L386-K389 WeakPolarHBondContact O-CB 3.25Å; L386-K389 PolarHBondContact O-N 3.37Å |
| 390 | K | 92.4 | Very high | 89.1 | Confident | 144 Ų | 144 | 121.4 Ų | 121.4 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | | | trans | -124.5 | 134.1 | 171.1 | -171.4 | 166.5 | -172.2 | 159.8 | 0 | 108.5 | Q394 | K390-Q394 HydrophobicContact CD-CG 4.29Š|
| 391 | E | 86.8 | Confident | 87.1 | Confident | 157 Ų | 157 | 121.1 Ų | 121.1 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -68.3 | -37.4 | -172.1 | -157.1 | 52.3 | -141.2 | 0 | 0 | 112.6 | | |
| 392 | G | 86.7 | Confident | 85.4 | Confident | 45 Ų | 45 | 120.2 Ų | 120.2 | 46% | 0.464 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -90.2 | 132.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q394 | G392-Q394 PolarHBondContact O-N 3.41Å; G392-Q394 VanDerWaalsContact O-N 3.14Å |
| 393 | I | 89.4 | Confident | 83.6 | Confident | 85 Ų | 85 | 124.5 Ų | 124.5 | 44% | 0.436 | 62% | 0.616 | S | S | . | * | | | trans | -64.1 | 111.1 | 164.7 | -60.5 | 178.3 | 0 | 0 | 0 | 108.7 | T358 T395 | T358-I393 HydrophobicContact CG2-CG2 3.7Å; I393-T395 PolarHBondContact O-N 2.71Å |
| 394 | Q | 87.8 | Confident | 81.7 | Confident | 126 Ų | 126 | 124.6 Ų | 124.6 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | | | trans | -66.4 | 125.9 | 173.8 | -61.1 | -173.4 | 17.3 | 0 | 0 | 110.8 | K390 G392 | K390-Q394 HydrophobicContact CD-CG 4.29Å; G392-Q394 PolarHBondContact O-N 3.41Å; G392-Q394 VanDerWaalsContact O-N 3.14Å |
| 395 | T | 84.6 | Confident | 79.7 | Confident | 137 Ų | 137 | 130.8 Ų | 130.8 | 84% | 0.84 | 65% | 0.653 | S | S | * | * | | | trans | -82.1 | 141 | 166.3 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | I393 | I393-T395 PolarHBondContact O-N 2.71Š|
| 396 | R | 84.4 | Confident | 77.5 | Confident | 214 Ų | 214 | 136.4 Ų | 136.4 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | | | trans | -120.2 | 133 | 168.2 | -76.5 | -176.2 | 168.9 | -171.9 | -5.4 | 108.1 | R398 | R396-R398 PolarHBondContact O-N 3.05Å; R396-R398 VanDerWaalsContact O-N 3.14Å |
| 397 | N | 78.2 | Confident | 75.1 | Confident | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 69% | 0.685 | S | S | * | * | | | trans | -64.6 | 116.8 | 177.8 | -169.9 | 5.1 | 0 | 0 | 0 | 109.5 | K399 | N397-K399 PolarHBondContact O-N 2.8Š|
| 398 | R | 77.6 | Confident | 73.1 | Confident | 235 Ų | 235 | 140.5 Ų | 140.5 | 89% | 0.887 | 69% | 0.689 | S | S | * | * | | | trans | -87.2 | 94.5 | 179.7 | -78.4 | -176.6 | 137 | -160.1 | -6 | 109 | R396 M400 | R396-R398 PolarHBondContact O-N 3.05Å; R396-R398 VanDerWaalsContact O-N 3.14Å; R398-M400 PolarHBondContact O-N 3.22Å; R398-M400 VanDerWaalsContact O-N 3.16Å |
| 399 | K | 78.4 | Confident | 71 | Confident | 203 Ų | 203 | 144 Ų | 144 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 122.2 | 160.5 | 39.3 | -176 | 167.9 | -174.6 | 0 | 108.7 | N397 | N397-K399 PolarHBondContact O-N 2.8Š|
| 400 | M | 65.1 | Low | 68.6 | Low | 136 Ų | 136 | 143.1 Ų | 143.1 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.9 | -177.1 | 64.5 | 73.8 | 68.4 | 0 | 0 | 109.6 | R398 | R398-M400 PolarHBondContact O-N 3.22Å; R398-M400 VanDerWaalsContact O-N 3.16Å |
| 401 | S | 54.9 | Low | 66.8 | Low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 121.2 | 179.1 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | K403 | S401-K403 PolarHBondContact O-N 3.26Š|
| 402 | N | 60.8 | Low | 64.9 | Low | 103 Ų | 103 | 140 Ų | 140 | 55% | 0.551 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -69.2 | 10.4 | 177 | -83.2 | -48.9 | 0 | 0 | 0 | 114.3 | S404 K405 | N402-S404 PolarHBondContact O-N 3.12Å; N402-K405 PolarHBondContact O-N 3.46Å |
| 403 | K | 60 | Low | 63.1 | Low | 173 Ų | 173 | 142.5 Ų | 142.5 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -49 | -33.7 | -177.4 | -167.8 | 70.9 | 171.5 | 178.4 | 0 | 113.1 | S401 K405 | S401-K403 PolarHBondContact O-N 3.26Å; K403-K405 VanDerWaalsContact C-N 3.3Å; K403-K405 PolarHBondContact O-N 3.16Å |
| 404 | S | 56.5 | Low | 61.1 | Low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -63.4 | -24 | 179.4 | -47.8 | 0 | 0 | 0 | 0 | 115.2 | N402 | N402-S404 PolarHBondContact O-N 3.12Š|
| 405 | K | 54.8 | Low | 59.4 | Low | 175 Ų | 175 | 146.8 Ų | 146.8 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -81.7 | -20.1 | -174.9 | -76.2 | -169.5 | 174.8 | -175.4 | 0 | 114.9 | N402 K403 | N402-K405 PolarHBondContact O-N 3.46Å; K403-K405 VanDerWaalsContact C-N 3.3Å; K403-K405 PolarHBondContact O-N 3.16Å |
| 406 | K | 50.2 | Low | 57.7 | Low | 166 Ų | 166 | 147.9 Ų | 147.9 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -80.5 | -18 | -177.6 | -171.8 | 63.4 | 174 | 176.4 | 0 | 113.2 | K408 K409 | K406-K408 VanDerWaalsContact C-N 3.28Å; K406-K408 PolarHBondContact O-N 3.45Å; K406-K409 PolarHBondContact O-N 3.43Å |
| 407 | S | 47.1 | Very low | 56.1 | Low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -73.8 | -7.3 | -173.3 | -158.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 408 | K | 52.8 | Low | 55.2 | Low | 207 Ų | 207 | 139 Ų | 139 | 90% | 0.9 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -105.1 | 9.6 | 177.4 | -171.1 | 159.5 | -179.9 | 174.4 | 0 | 113.6 | K406 | K406-K408 VanDerWaalsContact C-N 3.28Å; K406-K408 PolarHBondContact O-N 3.45Å |
| 409 | K | 48.4 | Very low | 53.9 | Low | 168 Ų | 168 | 135 Ų | 135 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -133.7 | 50.1 | 175.8 | -152.5 | -178.1 | -173.3 | -172.5 | 0 | 111.6 | K406 | K406-K409 PolarHBondContact O-N 3.43Š|
| 410 | G | 43.9 | Very low | 52.4 | Low | 56 Ų | 56 | 129.6 Ų | 129.6 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | | | trans | -139.8 | 11.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 411 | A | 53.8 | Low | 51.7 | Low | 75 Ų | 75 | 130.9 Ų | 130.9 | 62% | 0.62 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -82 | -44.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | C413 | A411-C413 PolarHBondContact O-N 2.93Š|
| 412 | E | 47.6 | Very low | 51.5 | Low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 23.5 | 174.6 | -27 | -53.7 | 104.7 | 0 | 0 | 116.2 | | |
| 413 | C | 48.9 | Very low | 50.5 | Low | 97 Ų | 97 | 138.1 Ų | 138.1 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.1 | 37.9 | -177.5 | -161.2 | 0 | 0 | 0 | 0 | 111.7 | A411 | A411-C413 PolarHBondContact O-N 2.93Š|
| 414 | F | 47.1 | Very low | 49.8 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -124.2 | -35.7 | 172.6 | -171.6 | -107.6 | 0 | 0 | 0 | 111.7 | E416 L417 S418 | F414-E416 PolarHBondContact O-N 2.87Å; F414-L417 PolarHBondContact O-N 2.96Å; F414-S418 PolarHBondContact O-OG 2.67Å |
| 415 | E | 52.1 | Low | 48.9 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -65.7 | -35.3 | -179 | -162.2 | 175.2 | 119.7 | 0 | 0 | 113.7 | L417 S418 | E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 2.78Å; E415-S418 PolarHBondContact O-N 3.2Å |
| 416 | E | 50 | Low | 48.8 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -70.9 | -29 | -177.6 | -161.1 | 168.6 | -156.8 | 0 | 0 | 112.7 | F414 | F414-E416 PolarHBondContact O-N 2.87Å |
| 417 | L | 50.7 | Low | 49 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -74.4 | -33.8 | 175.6 | -172.6 | 62.7 | 0 | 0 | 0 | 111.9 | F414 E415 K419 C420 | F414-L417 PolarHBondContact O-N 2.96Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 2.78Å; L417-K419 PolarHBondContact O-N 2.78Å; L417-C420 WeakPolarHBondContact O-CB 3.48Å; L417-C420 PolarHBondContact O-N 2.69Å |
| 418 | S | 59.4 | Low | 48.4 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 47% | 0.469 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -66.1 | -35.3 | -179.9 | -59.8 | 0 | 0 | 0 | 0 | 113 | F414 E415 C420 M421 | F414-S418 PolarHBondContact O-OG 2.67Å; E415-S418 PolarHBondContact O-N 3.2Å; S418-C420 VanDerWaalsContact C-N 3.28Å; S418-C420 PolarHBondContact O-N 2.73Å; S418-M421 PolarHBondContact O-N 2.84Å |
| 419 | K | 49.5 | Very low | 47.7 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -67.1 | -25.3 | 177.6 | -84.5 | 176.2 | 174 | 164.1 | 0 | 113.9 | L417 M421 | L417-K419 PolarHBondContact O-N 2.78Å; K419-M421 VanDerWaalsContact C-N 3.28Å; K419-M421 PolarHBondContact O-N 2.77Å |
| 420 | C | 47.2 | Very low | 47.2 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -26.6 | -179.2 | -172.8 | 0 | 0 | 0 | 0 | 113.4 | L417 S418 | L417-C420 WeakPolarHBondContact O-CB 3.48Å; L417-C420 PolarHBondContact O-N 2.69Å; S418-C420 VanDerWaalsContact C-N 3.28Å; S418-C420 PolarHBondContact O-N 2.73Å |
| 421 | M | 49.8 | Very low | 46.8 | Very low | 163 Ų | 163 | 132 Ų | 132 | 80% | 0.803 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 0.9 | -170.7 | -64.5 | -83.1 | 74.6 | 0 | 0 | 115 | S418 K419 | S418-M421 PolarHBondContact O-N 2.84Å; K419-M421 VanDerWaalsContact C-N 3.28Å; K419-M421 PolarHBondContact O-N 2.77Å |
| 422 | Q | 51.5 | Low | 45.9 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -111.3 | -3.5 | -171.6 | -155.9 | 160.1 | 23.9 | 0 | 0 | 114.4 | | |
| 423 | E | 39.3 | Very low | 45.6 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -110.5 | 49.8 | -169.4 | -142.6 | -86.9 | 110.9 | 0 | 0 | 112.8 | | |
| 424 | K | 44.6 | Very low | 45.1 | Very low | 202 Ų | 202 | 133.2 Ų | 133.2 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | | | trans | -158.5 | 69.7 | 159.1 | -142.9 | 147.5 | -166.1 | 162.7 | 0 | 116.1 | | |
| 425 | S | 38.9 | Very low | 44.4 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | -72.7 | 154.1 | 150.9 | 43.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 426 | S | 53.1 | Low | 44.2 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -76 | 157.2 | -177 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 427 | P | 53.5 | Low | 43.6 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | | -135.2 | 140.2 | 125.1 | 36.5 | -27.2 | 0 | 0 | 0 | 114.9 | | |
| 428 | F | 34.6 | Very low | 43 | Very low | 197 Ų | 197 | 128.7 Ų | 128.7 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | trans | 52.2 | 144.3 | 146.9 | -100.4 | -124.1 | 0 | 0 | 0 | 120.9 | | |
| 429 | S | 38.2 | Very low | 43 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | cis | -167.2 | 169.4 | -18.5 | -107.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 430 | A | 38.4 | Very low | 42.5 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | trans | -96.2 | 147.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 431 | A | 35.2 | Very low | 41.8 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | -164.4 | 160.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 432 | A | 34.6 | Very low | 41.2 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 69.9 | 136 | 176.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 433 | L | 41.3 | Very low | 40.5 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | cis | 171.1 | 118.6 | -46.4 | -94.9 | 165.7 | 0 | 0 | 0 | 108.5 | | |
| 434 | A | 37.7 | Very low | 41.1 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 58.6 | 146 | 148.7 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 435 | G | 32.1 | Very low | 42 | Very low | 64 Ų | 64 | 122.1 Ų | 122.1 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | | | trans | 118.5 | 80.2 | 166 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 436 | H | 49.3 | Very low | 41.8 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | | 62.1 | 134.5 | 78.4 | -63.3 | -68.7 | 0 | 0 | 0 | 114.4 | | |
| 437 | M | 36.3 | Very low | 41 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | cis | -137.5 | 177.9 | 29 | -73.8 | -69.9 | 176.7 | 0 | 0 | 115.2 | | |
| 438 | A | 38.9 | Very low | 40.3 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | -93.9 | -161.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 439 | P | 59.6 | Low | 40.6 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | cis | -145 | -172.2 | 0.9 | 43.4 | -21.9 | 0 | 0 | 0 | 118.3 | | |
| 440 | V | 39.6 | Very low | 40.4 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | 58.8 | 144.7 | 162.8 | -58.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 441 | G | 31.5 | Very low | 40.6 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | cis | 170.7 | 164.8 | -10.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 442 | H | 37.4 | Very low | 40.8 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 89% | 0.889 | 79% | 0.785 | S | S | * | * | | | trans | 78.7 | 161 | 163.9 | -115.8 | -86.2 | 0 | 0 | 0 | 123.5 | | |
| 443 | L | 36.7 | Very low | 41.7 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -134.6 | 173.2 | -163.7 | -75.8 | 174.7 | 0 | 0 | 0 | 110.6 | | |
| 444 | P | 52.6 | Low | 41.8 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | cis | -130.8 | -113 | -18.1 | 28.4 | -1.5 | 0 | 0 | 0 | 114.4 | | |
| 445 | P | 63.3 | Low | 42 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 62% | 0.623 | 79% | 0.787 | S | S | * | * | | | trans | -122.6 | -177.3 | -145 | 40.4 | -18.9 | 0 | 0 | 0 | 115.8 | | |
| 446 | F | 33.7 | Very low | 43.3 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | | 179 | 169.5 | 128.5 | -96.7 | -60.7 | 0 | 0 | 0 | 112.9 | | |
| 447 | S | 36.3 | Very low | 43 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | | | trans | -74 | 156.3 | -172.3 | -52.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 448 | H | 38.7 | Very low | 43.9 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | | -177.5 | 165 | 98.9 | -93.4 | -67.5 | 0 | 0 | 0 | 113.6 | | |
| 449 | S | 41.4 | Very low | 43.7 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | -78.3 | 151 | -173.8 | -46.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 450 | G | 34.1 | Very low | 42.9 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | 156.4 | 67.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | I452 | G450-I452 PolarHBondContact O-N 2.87Š|
| 451 | H | 41.7 | Very low | 43.5 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | | | trans | -77.3 | 87.8 | 171.5 | -117.7 | -60.5 | 0 | 0 | 0 | 111.2 | | |
| 452 | I | 40.3 | Very low | 43.9 | Very low | 148 Ų | 148 | 137 Ų | 137 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -103.4 | 141 | 163.8 | 52.2 | 173.8 | 0 | 0 | 0 | 109.5 | G450 | G450-I452 PolarHBondContact O-N 2.87Š|
| 453 | L | 53.7 | Low | 44.1 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | | | trans | -95.6 | 130.2 | 180 | -74.8 | 167.9 | 0 | 0 | 0 | 110.8 | | |
| 454 | P | 43.8 | Very low | 44.4 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -119.5 | 117.2 | 165.3 | 34.5 | -21.4 | 0 | 0 | 0 | 113 | | |
| 455 | T | 41.5 | Very low | 44 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | | | trans | -114.6 | 166.2 | 146.3 | 14.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 456 | P | 58.4 | Low | 43 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | cis | -136 | -144.9 | 7.6 | 42.4 | -23 | 0 | 0 | 0 | 113.3 | | |
| 457 | T | 43.7 | Very low | 43.2 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | 113.5 | 161.1 | 161.4 | 72.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 458 | P | 54.8 | Low | 43.2 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | | -135.7 | -170 | -75.6 | 39.7 | -22.2 | 0 | 0 | 0 | 113.4 | | |
| 459 | I | 36 | Very low | 43.4 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | | 170.8 | 147.1 | 127.3 | -84.9 | 154.7 | 0 | 0 | 0 | 110.7 | | |
| 460 | H | 41.1 | Very low | 44.1 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | trans | -120.7 | 156.3 | 177.5 | -100.7 | -81.6 | 0 | 0 | 0 | 110.4 | | |
| 461 | P | 52.6 | Low | 44.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | -129.7 | 153.9 | 91.4 | 7.7 | 15.7 | 0 | 0 | 0 | 112.6 | | |
| 462 | S | 40.3 | Very low | 45.5 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | | 71.6 | 131.7 | 62.3 | -47.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 463 | S | 42.5 | Very low | 45.8 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | cis | -153.3 | 155.2 | 30.9 | -57.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 464 | S | 42.2 | Very low | 45.5 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 46.1 | 126.1 | 141.9 | 63 | 0 | 0 | 0 | 0 | 123.4 | | |
| 465 | L | 43.3 | Very low | 45.7 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | | -164.9 | 156.4 | 108.1 | -102.8 | 171.5 | 0 | 0 | 0 | 111.1 | | |
| 466 | S | 42.1 | Very low | 45.8 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -140.9 | 131.3 | -164 | -53.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 467 | F | 39.6 | Very low | 45.2 | Very low | 225 Ų | 225 | 132.7 Ų | 132.7 | 99% | 0.987 | 78% | 0.779 | S | S | * | * | | | trans | -161.1 | 152.9 | 157.4 | -83.4 | -75.1 | 0 | 0 | 0 | 107.7 | | |
| 468 | G | 35.5 | Very low | 45.4 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | 155.6 | 99.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 469 | H | 43 | Very low | 45.1 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | | | trans | -73.6 | 155.9 | 175.4 | -85.7 | -73.3 | 0 | 0 | 0 | 112.2 | | |
| 470 | P | 55.9 | Low | 45.7 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | | | | -136.1 | 152.9 | 123.6 | 37.3 | -27.9 | 0 | 0 | 0 | 115.1 | | |
| 471 | H | 47.4 | Very low | 46 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 79% | 0.787 | 83% | 0.826 | S | S | * | * | | | trans | -91.6 | 157.2 | 160.7 | -126.8 | -96.7 | 0 | 0 | 0 | 108.9 | | |
| 472 | P | 57.4 | Low | 45.6 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | | | trans | -121.7 | 144.2 | 152 | 35.6 | -26.9 | 0 | 0 | 0 | 112.2 | | |
| 473 | S | 48.1 | Very low | 45.9 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 84% | 0.838 | S | S | * | * | | | trans | -161.7 | 107 | 171.9 | -70 | 0 | 0 | 0 | 0 | 112.3 | | |
| 474 | S | 46.3 | Very low | 46.1 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 84% | 0.844 | S | S | * | * | | | trans | -168.7 | 116.6 | 159.1 | -168.6 | 0 | 0 | 0 | 0 | 106 | | |
| 475 | M | 48.6 | Very low | 46.4 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 83% | 0.833 | 85% | 0.851 | S | S | * | * | | | | 55.9 | 111.8 | 75.9 | -55.1 | -158.5 | -55.2 | 0 | 0 | 114.4 | | |
| 476 | V | 43.3 | Very low | 46.6 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 83% | 0.83 | 85% | 0.848 | S | S | * | * | | | | 154.5 | 154.4 | 107.3 | 83.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 477 | T | 46.5 | Very low | 46.9 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 73% | 0.73 | 86% | 0.859 | S | S | * | * | | | trans | 67.6 | 98.8 | 157.8 | -51.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 478 | A | 47.4 | Very low | 47.5 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 85% | 0.849 | S | S | * | * | | | | 33.8 | 162.1 | 116.6 | 0 | 0 | 0 | 0 | 0 | 125.5 | | |
| 479 | M | 47.8 | Very low | 48.5 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 96% | 0.956 | 86% | 0.862 | S | S | * | * | | | trans | 80.7 | 133.6 | 171.1 | -58.7 | -61.1 | -171.2 | 0 | 0 | 117.2 | | |
| 480 | G | 50 | Low | 49 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 100% | 1.567 | 86% | 0.859 | S | S | * | * | | | trans | 149.7 | 0 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |