| 1 | M | 33.2 | Very low | 32.8 | Very low | 228 Ų | 228 | 141.5 Ų | 141.5 | 100% | 1.123 | 76% | 0.761 | S | S | * | * | | | | 0 | 131.3 | 0 | -68.8 | 154.1 | -176.4 | 0 | 0 | 107.1 | | |
| 2 | S | 28.2 | Very low | 33 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | cis | 82.9 | 75.2 | 37.3 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 3 | T | 32.4 | Very low | 32.8 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | | | trans | -151.3 | 125.1 | 163.7 | 34.1 | 0 | 0 | 0 | 0 | 104.6 | | |
| 4 | E | 29.9 | Very low | 33.2 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | | 67 | 113.2 | 79.3 | -65 | 168.3 | 159.7 | 0 | 0 | 110.8 | | |
| 5 | M | 27.7 | Very low | 33.3 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | | | | 56.9 | 101.6 | 73.1 | -76.9 | -174.9 | 153.2 | 0 | 0 | 113.1 | | |
| 6 | N | 36.7 | Very low | 33.2 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | | -149.7 | 132.1 | 127.2 | -92 | -36.3 | 0 | 0 | 0 | 107.9 | | |
| 7 | P | 32.7 | Very low | 33.1 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | trans | -83.8 | -130.2 | 160.4 | 36.8 | -31.8 | 0 | 0 | 0 | 108.2 | | |
| 8 | V | 35.1 | Very low | 33.1 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | | | trans | 77.8 | 122.7 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 9 | D | 34.9 | Very low | 33.1 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | | | cis | -157.7 | 155.2 | -4.4 | -114.4 | -1.4 | 0 | 0 | 0 | 113.4 | | |
| 10 | I | 31.5 | Very low | 33 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | | | | 35.7 | 122.3 | 129.1 | -54 | 170.9 | 0 | 0 | 0 | 117.3 | | |
| 11 | E | 38.2 | Very low | 32.8 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | | | | -155.7 | 147.8 | 80.1 | -93.2 | -159.8 | 132.3 | 0 | 0 | 115.6 | | |
| 12 | Q | 35.5 | Very low | 32.8 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | | | trans | 46.7 | 145.7 | 142.7 | -56.8 | -178.1 | 38 | 0 | 0 | 121 | | |
| 13 | S | 29.9 | Very low | 33 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | cis | -168.9 | 174.8 | -15.5 | 64.2 | 0 | 0 | 0 | 0 | 107 | | |
| 14 | P | 39.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | | | trans | -101.7 | 157 | -151.5 | 38.1 | -36.6 | 0 | 0 | 0 | 116.9 | | |
| 15 | Q | 33.8 | Very low | 33.2 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | | | | -154.4 | 125.7 | 129.7 | -118.4 | -176.4 | -13.7 | 0 | 0 | 113.3 | | |
| 16 | T | 32 | Very low | 33.8 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 64% | 0.638 | 72% | 0.718 | S | S | * | * | | | trans | 30.4 | 142.3 | 134.6 | 57.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 17 | D | 31.1 | Very low | 33.7 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | cis | -170.5 | 165.6 | -21.2 | -128.3 | -52.5 | 0 | 0 | 0 | 108.4 | | |
| 18 | E | 34.6 | Very low | 33.9 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | | | trans | 59.4 | 147.8 | 177.1 | -58.1 | -177.2 | -176.2 | 0 | 0 | 117.8 | | |
| 19 | S | 31.6 | Very low | 33.8 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | | | cis | -160.8 | 152.8 | -37.6 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 20 | I | 31.4 | Very low | 33.6 | Very low | 140 Ų | 140 | 137 Ų | 137 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | | | trans | 54.3 | 119.2 | 135.4 | -69.1 | 172.1 | 0 | 0 | 0 | 116.9 | | |
| 21 | K | 30.2 | Very low | 33.6 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | | | cis | -178.6 | 162.6 | 17.6 | -124.9 | -176.8 | -156.3 | 165.4 | 0 | 112.4 | | |
| 22 | V | 33.5 | Very low | 33.3 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 58% | 0.582 | 74% | 0.735 | S | S | * | * | | | trans | 48.5 | 113.2 | 137.6 | 160.1 | 0 | 0 | 0 | 0 | 117.8 | L24 | V22-L24 HydrophobicContact CG1-CD1 4.47Å; V22-L24 HydrophobicContact CG1-CG 4.42Å |
| 23 | D | 31.6 | Very low | 33 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | | | | 72.6 | 157.7 | 66.5 | -73.5 | -61.4 | 0 | 0 | 0 | 114.8 | | |
| 24 | L | 33.7 | Very low | 32.8 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | | | trans | 78.7 | 138.8 | 170.2 | -46.8 | 178.9 | 0 | 0 | 0 | 115.7 | V22 | V22-L24 HydrophobicContact CG1-CD1 4.47Å; V22-L24 HydrophobicContact CG1-CG 4.42Å |
| 25 | M | 33.2 | Very low | 32.2 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | | | cis | 173.7 | 150.7 | -24 | -118.9 | -177.4 | -161.4 | 0 | 0 | 106.9 | | |
| 26 | K | 39.5 | Very low | 31.7 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | | | trans | 69.3 | 161.9 | 149.9 | -67.6 | 166.8 | -179 | 158.7 | 0 | 115.9 | | |
| 27 | I | 35 | Very low | 31.5 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | | | cis | -155.1 | 155.1 | 0.7 | -127.3 | 164.3 | 0 | 0 | 0 | 112.7 | | |
| 28 | D | 36.4 | Very low | 31.2 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | 37.6 | 121 | 152.8 | -48.1 | -18 | 0 | 0 | 0 | 124.8 | | |
| 29 | D | 34.1 | Very low | 30.7 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | | 36.5 | 130.9 | 117.1 | -94.1 | -50.2 | 0 | 0 | 0 | 124.3 | | |
| 30 | N | 30.4 | Very low | 30.5 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | | | trans | 32.1 | 93.4 | 135.6 | -78.9 | -74.2 | 0 | 0 | 0 | 120 | | |
| 31 | L | 31.9 | Very low | 30.4 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | | | | 178.4 | 156.6 | 119.2 | -98.9 | 162.1 | 0 | 0 | 0 | 114.4 | | |
| 32 | K | 31.6 | Very low | 30.4 | Very low | 205 Ų | 205 | 139.7 Ų | 139.7 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | | | trans | 71.4 | 144.4 | 176.9 | -68.8 | -176.2 | 174.9 | 179.3 | 0 | 117.6 | | |
| 33 | S | 28 | Very low | 30.4 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | | | trans | -104.4 | 172.9 | 175.8 | 61 | 0 | 0 | 0 | 0 | 112.3 | | |
| 34 | T | 25.9 | Very low | 30.7 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | | | trans | 69.4 | 114.3 | 153.8 | 34.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 35 | I | 26.3 | Very low | 31.4 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | | | trans | 89.6 | 96.8 | 137.3 | -65.3 | 170.9 | 0 | 0 | 0 | 118.1 | | |
| 36 | T | 24.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | | | trans | 56.2 | 110.5 | 142.1 | 64.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 37 | C | 26.4 | Very low | 31.6 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 78% | 0.784 | 68% | 0.678 | S | S | * | * | | | | -154.8 | 101.2 | 119.5 | -103.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 38 | K | 25.2 | Very low | 31.3 | Very low | 178 Ų | 178 | 122 Ų | 122 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | | | trans | 65.3 | 116.9 | 156.6 | -56 | 177.4 | -172.6 | 178.9 | 0 | 115.6 | | |
| 39 | L | 25.6 | Very low | 31.4 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 78% | 0.78 | 66% | 0.656 | S | S | * | * | | | | 69.4 | 143.9 | 69.3 | -69 | 167.2 | 0 | 0 | 0 | 112.7 | | |
| 40 | Y | 26.3 | Very low | 31.5 | Very low | 198 Ų | 198 | 124 Ų | 124 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | | | trans | 77.4 | 136.7 | -177.7 | -55.8 | -80.4 | 0 | 0 | 0 | 116.8 | | |
| 41 | D | 29.6 | Very low | 31.8 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | | | cis | -164.6 | 135 | -35.4 | -117.1 | 10.3 | 0 | 0 | 0 | 110.9 | | |
| 42 | T | 30.1 | Very low | 31.8 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 66% | 0.656 | 63% | 0.629 | S | S | * | * | | | trans | 42 | 168.2 | 134.4 | 62.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 43 | L | 33.6 | Very low | 31.6 | Very low | 66 Ų | 66 | 116.9 Ų | 116.9 | 35% | 0.346 | 62% | 0.617 | S | S | . | * | | | trans | 70.4 | 89.3 | 164.6 | -49.8 | 174.3 | 0 | 0 | 0 | 116.7 | D1158 H1160 | L43-D1158 WeakPolarHBondContact CD2-OD1 3.22Å; L43-H1160 WeakPolarHBondContact CD1-CE1 3.2Å; L43-H1160 WeakPolarHBondContact CD1-ND1 3.23Å |
| 44 | T | 37.7 | Very low | 31.7 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | | | | -164.1 | 107.9 | 128.9 | 0.7 | 0 | 0 | 0 | 0 | 110.8 | P46 | T44-P46 HydrophobicContact CG2-CG 3.97Å; T44-P46 WeakPolarHBondContact O-CD 3.41Å |
| 45 | D | 49.2 | Very low | 31.8 | Very low | 56 Ų | 56 | 118.1 Ų | 118.1 | 30% | 0.299 | 62% | 0.62 | S | S | . | * | | | trans | -95.3 | 106.9 | 156 | -160.1 | 48.1 | 0 | 0 | 0 | 107.3 | H1156 E1157 | D45-H1156 PolarHBondContact O-CE1 2.84Å; D45-H1156 PolarHBondContact O-ND1 2.87Å; D45-H1156 VanDerWaalsContact OD2-CA 3.27Å; D45-H1156 WeakPolarHBondContact OD2-CA 3.26Å; D45-H1156 PolarHBondContact OD2-N 3.43Å; D45-E1157 HydrophobicContact CB-CB 3.71Å; D45-E1157 HydrophobicContact CB-CG 4.21Å; D45-E1157 PolarHBondContact OD2-N 3.46Å |
| 46 | P | 37.8 | Very low | 31.9 | Very low | 68 Ų | 68 | 116.5 Ų | 116.5 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | | | trans | -49.5 | 112.5 | 156.3 | 31.4 | -7.3 | 0 | 0 | 0 | 121.7 | T44 H1155 | T44-P46 HydrophobicContact CG2-CG 3.97Å; T44-P46 WeakPolarHBondContact O-CD 3.41Å; P46-H1155 WeakPolarHBondContact O-CB 3.4Å; P46-H1155 PolarHBondContact O-CD2 3.49Å; P46-H1155 PolarHBondContact O-ND1 3.14Å |
| 47 | E | 37.6 | Very low | 32.1 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 47% | 0.467 | 62% | 0.623 | S | S | . | * | | | trans | 83.6 | 87.4 | 133.9 | -82.7 | -91.1 | 83 | 0 | 0 | 121.4 | K50 H1155 H1156 | E47-K50 IonicContact OE1-NZ 2.58Å; E47-K50 PolarHBondContact OE1-NZ 3.18Å; E47-H1155 VanDerWaalsContact C-N 3.32Å; E47-H1155 WeakPolarHBondContact O-CB 2.88Å; E47-H1155 PolarHBondContact O-N 3.11Å; E47-H1155 PolarHBondContact O-ND1 3.5Å; E47-H1156 WeakPolarHBondContact CA-CD2 3.16Å; E47-H1156 PolarHBondContact N-CD2 3.37Å; E47-H1156 PolarHBondContact N-NE2 3.39Å |
| 48 | C | 30 | Very low | 32 | Very low | 16 Ų | 16 | 123.1 Ų | 123.1 | 11% | 0.108 | 62% | 0.618 | C | S | . | * | | | | 117.7 | 161.6 | 116.4 | -168.7 | 0 | 0 | 0 | 0 | 117.9 | K50 D1154 H1155 H1156 | C48-K50 VanDerWaalsContact SG-CB 3.55Å; C48-K50 WeakPolarHBondContact SG-CD 3.5Å; C48-K50 WeakPolarHBondContact SG-CG 3.29Å; C48-D1154 VanDerWaalsContact C-CG 3.45Å; C48-D1154 HydrophobicContact CB-CB 4.5Å; C48-D1154 WeakPolarHBondContact CB-OD1 3.22Å; C48-D1154 CarbonylContact O-C 3.01Å; C48-D1154 WeakPolarHBondContact O-CA 3.11Å; C48-D1154 WeakPolarHBondContact O-CB 3.23Å; C48-D1154 PolarHBondContact SG-OD1 3.01Å; C48-H1155 CarbonylContact O-C 3.46Å; C48-H1155 PolarHBondContact O-N 2.91Å; C48-H1156 PolarHBondContact N-CD2 3.21Å |
| 49 | K | 37.8 | Very low | 32.2 | Very low | 183 Ų | 183 | 120.4 Ų | 120.4 | 80% | 0.796 | 62% | 0.617 | S | S | * | * | | | trans | -170 | 67.4 | 179.5 | -117.2 | 171.2 | -175.3 | 159.8 | 0 | 108.9 | D1154 | K49-D1154 WeakPolarHBondContact CA-OD2 3.17Å; K49-D1154 PolarHBondContact N-OD2 3.07Å |
| 50 | K | 36.6 | Very low | 32.3 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 56% | 0.557 | 61% | 0.609 | S | S | * | * | | | trans | -137.1 | 57.5 | -161.3 | -61.7 | 175.9 | -158.1 | 138.4 | 0 | 115.4 | E47 C48 D1154 | E47-K50 IonicContact OE1-NZ 2.58Å; E47-K50 PolarHBondContact OE1-NZ 3.18Å; C48-K50 VanDerWaalsContact SG-CB 3.55Å; C48-K50 WeakPolarHBondContact SG-CD 3.5Å; C48-K50 WeakPolarHBondContact SG-CG 3.29Å; K50-D1154 PolarHBondContact N-OD2 2.88Å |
| 51 | S | 35.2 | Very low | 32.8 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 53% | 0.531 | 61% | 0.61 | S | S | . | * | | | trans | -142.5 | 95.1 | 139.5 | 50.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 52 | K | 33.6 | Very low | 33 | Very low | 172 Ų | 172 | 115.4 Ų | 115.4 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | | | cis | 65.6 | 120.5 | 31.4 | -157.5 | -164.8 | -177.5 | -172.1 | 0 | 112.1 | | |
| 53 | L | 26.4 | Very low | 33.3 | Very low | 123 Ų | 123 | 116 Ų | 116 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | | | trans | 65.3 | 119.9 | -176.5 | -60.1 | 136.5 | 0 | 0 | 0 | 112.3 | | |
| 54 | S | 31 | Very low | 33.3 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 74% | 0.741 | 64% | 0.637 | S | S | * | * | | | cis | 60.8 | 68.6 | 20.3 | 93.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 55 | D | 27.4 | Very low | 33.1 | Very low | 134 Ų | 134 | 118 Ų | 118 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | | | trans | -143.9 | 116.3 | 141.3 | -81.4 | -49.3 | 0 | 0 | 0 | 105.7 | | |
| 56 | V | 29.1 | Very low | 32.2 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 68% | 0.679 | 64% | 0.644 | S | S | * | * | | | | 67.3 | 72.6 | 74.5 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 57 | W | 27.2 | Very low | 31.9 | Very low | 231 Ų | 231 | 127.8 Ų | 127.8 | 88% | 0.875 | 66% | 0.663 | S | S | * | * | | | trans | -125.3 | 123.6 | 131.4 | -87.9 | -18.3 | 0 | 0 | 0 | 106.5 | | |
| 58 | E | 25 | Very low | 31.4 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | | | | 57.1 | 113.4 | 63.5 | -57.2 | -169.3 | 141.3 | 0 | 0 | 109.2 | | |
| 59 | T | 29.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | | | cis | -163.7 | 162.3 | 44.1 | 44.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 60 | S | 27.4 | Very low | 31.4 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | | | trans | 38.8 | 116.4 | 148.6 | 66.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 61 | N | 37.4 | Very low | 30.9 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | | | | -157.2 | 135.8 | 54.5 | -81.7 | -77.2 | 0 | 0 | 0 | 114.4 | | |
| 62 | T | 33.1 | Very low | 30.6 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | -57.9 | 164.5 | 157 | 45.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 63 | P | 35.5 | Very low | 30.4 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | cis | -138.2 | -136.2 | -31.9 | 44.6 | -24.8 | 0 | 0 | 0 | 110 | | |
| 64 | P | 34.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | | | trans | -121.7 | -158.6 | -145.3 | 34.2 | -7.9 | 0 | 0 | 0 | 112.7 | | |
| 65 | L | 34.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 64% | 0.644 | 73% | 0.731 | S | S | * | * | | | | -151.4 | 134.7 | 126.3 | -116.2 | 174.1 | 0 | 0 | 0 | 111 | F1136 | L65-F1136 HydrophobicContact CB-CE2 4.32Å; L65-F1136 HydrophobicContact CB-CZ 4.05Å |
| 66 | E | 29.6 | Very low | 30.7 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 55% | 0.547 | 74% | 0.735 | S | S | . | * | | | trans | -69.8 | 156.7 | 172.6 | -66.6 | 157.8 | 98.1 | 0 | 0 | 111.5 | Q68 | E66-Q68 PolarHBondContact OE1-NE2 3.24Š|
| 67 | Y | 32 | Very low | 30.7 | Very low | 214 Ų | 214 | 146.7 Ų | 146.7 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | | | | -136.4 | 113.3 | 125.4 | -106.7 | -79.8 | 0 | 0 | 0 | 108.8 | | |
| 68 | Q | 26.4 | Very low | 31.1 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | | | trans | -84.7 | 146.7 | 157 | -50.2 | 173.6 | 17.3 | 0 | 0 | 106.7 | E66 | E66-Q68 PolarHBondContact OE1-NE2 3.24Š|
| 69 | E | 33.3 | Very low | 31.6 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | | | | -162.8 | 111.3 | 122.2 | -123.1 | 162.4 | 179 | 0 | 0 | 114.4 | | |
| 70 | Y | 34.3 | Very low | 31.7 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | | | trans | 54.3 | 107.4 | 140.6 | -73.6 | -126.9 | 0 | 0 | 0 | 120.8 | | |
| 71 | D | 27 | Very low | 32 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | | | trans | -70 | 127.1 | 137.5 | -84.9 | -55.1 | 0 | 0 | 0 | 110 | | |
| 72 | S | 28.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | | 155.2 | 135.2 | 127.5 | -74.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 73 | L | 27.7 | Very low | 32.1 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | 74.3 | 132.7 | 145.2 | -73.7 | 163.6 | 0 | 0 | 0 | 121.4 | | |
| 74 | K | 32.4 | Very low | 32 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | | | trans | 78.9 | 141.9 | 155.8 | -67.4 | 163.9 | -175.4 | 173.9 | 0 | 117.8 | | |
| 75 | V | 30.2 | Very low | 32 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | | | cis | -166.8 | 140.3 | -22.5 | 99.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 76 | K | 29.2 | Very low | 32 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | | | trans | 60.7 | 163.8 | 161.4 | -72.3 | 177.8 | -172 | 179.1 | 0 | 117 | | |
| 77 | K | 30 | Very low | 32.2 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | | | cis | -162.8 | 162.9 | -36.3 | -127.8 | 178.3 | 149.9 | -80.4 | 0 | 107.6 | | |
| 78 | D | 35.9 | Very low | 32.3 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | | | trans | 52.7 | 101.4 | 152.4 | -46.8 | -26.8 | 0 | 0 | 0 | 119.5 | | |
| 79 | L | 35.2 | Very low | 32.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | | | | -176.9 | 131.9 | 115.1 | -121.3 | 76.2 | 0 | 0 | 0 | 113.4 | | |
| 80 | C | 30.9 | Very low | 32.9 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | | | trans | 57.6 | 148.5 | 153.5 | -67.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 81 | K | 34.2 | Very low | 33.2 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | | | cis | -167.6 | 162.1 | -24.3 | -117.5 | -175.5 | 165.3 | -71.4 | 0 | 107.7 | | |
| 82 | D | 35.5 | Very low | 33.7 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 58% | 0.578 | 71% | 0.706 | S | S | * | * | | | trans | 26 | 127 | 138.4 | -43.7 | -3.5 | 0 | 0 | 0 | 116.8 | | |
| 83 | D | 36.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | | | cis | 168.3 | 172.9 | 42.6 | -105.8 | 3.4 | 0 | 0 | 0 | 106.9 | | |
| 84 | T | 33.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 61% | 0.613 | 71% | 0.71 | S | S | * | * | | | cis | -165.5 | 165.2 | -13.4 | 26.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 85 | I | 35 | Very low | 34.9 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 67% | 0.672 | 71% | 0.709 | S | S | * | * | | | trans | 54.1 | 111.2 | 137.4 | -64.9 | 161.5 | 0 | 0 | 0 | 121.5 | | |
| 86 | N | 35 | Very low | 34.9 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | | | | 167.6 | 122.4 | 113.6 | -93.5 | -40.8 | 0 | 0 | 0 | 108.9 | | |
| 87 | V | 32.5 | Very low | 35.4 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | | | | 73.8 | 113.8 | 55.3 | 176.9 | 0 | 0 | 0 | 0 | 113 | | |
| 88 | D | 35 | Very low | 35.7 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | | | trans | -169.4 | 147.5 | 141.2 | -131.4 | -7.4 | 0 | 0 | 0 | 113.4 | | |
| 89 | V | 38.1 | Very low | 35.6 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 56% | 0.564 | 74% | 0.735 | S | S | * | * | | | trans | 57.9 | 126.7 | 155.3 | 176.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 90 | V | 33.2 | Very low | 35.4 | Very low | 118 Ų | 118 | 141 Ų | 141 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | | | cis | 104.1 | 144.7 | 25.4 | 171.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 91 | N | 40.3 | Very low | 35.6 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | | | trans | 82.2 | 158.9 | -177.1 | -43 | -62.9 | 0 | 0 | 0 | 116.4 | | |
| 92 | D | 38.3 | Very low | 35.4 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | cis | -179.2 | 175.2 | -49.4 | -96.2 | -35.7 | 0 | 0 | 0 | 109.1 | | |
| 93 | D | 41.1 | Very low | 35.1 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | | | trans | 69.4 | 96.3 | 159 | -66.4 | -16.8 | 0 | 0 | 0 | 123.1 | | |
| 94 | D | 36.8 | Very low | 34.8 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | | 52.4 | 95 | 119.8 | -93.3 | 9.1 | 0 | 0 | 0 | 123.9 | | |
| 95 | H | 36.3 | Very low | 34.5 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | | 61.6 | 113.6 | 123 | -83.3 | -62.1 | 0 | 0 | 0 | 123.8 | | |
| 96 | L | 30.9 | Very low | 34.3 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | -62.4 | 137.1 | 168.4 | -73.3 | 71.3 | 0 | 0 | 0 | 115 | | |
| 97 | K | 38.6 | Very low | 33.9 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -169.2 | 133.9 | 161.3 | -100.3 | 151.4 | -173.2 | 164.7 | 0 | 107.6 | | |
| 98 | K | 36.3 | Very low | 33.5 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | cis | -137 | 135.7 | -6.3 | -55.7 | 167.3 | -176.1 | 170.9 | 0 | 105.5 | | |
| 99 | L | 33.7 | Very low | 33 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | | 55.6 | 121.1 | 72.2 | -102.7 | 169.5 | 0 | 0 | 0 | 115 | | |
| 100 | H | 31.8 | Very low | 32.5 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | -120.6 | 167 | 177.3 | -116.2 | -96.3 | 0 | 0 | 0 | 109.4 | | |
| 101 | D | 34.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | -80.9 | 148.7 | -177.3 | -73.7 | -61.5 | 0 | 0 | 0 | 115.7 | | |
| 102 | T | 31 | Very low | 31.8 | Very low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | | | trans | 56.2 | 118.4 | 148.8 | 53.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 103 | E | 28.5 | Very low | 31.7 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | trans | 62.9 | 136.5 | 144.5 | -61.7 | -170.6 | -149.1 | 0 | 0 | 119 | | |
| 104 | K | 30.5 | Very low | 31.5 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | | | cis | -150.6 | 172.1 | 20.9 | -141.6 | 167.7 | -164.8 | 163.1 | 0 | 113.5 | | |
| 105 | L | 26.3 | Very low | 31.4 | Very low | 169 Ų | 169 | 140 Ų | 140 | 89% | 0.885 | 70% | 0.701 | S | S | * | * | | | trans | -40.5 | 132.1 | 179.9 | -67.5 | 160.8 | 0 | 0 | 0 | 115.8 | | |
| 106 | G | 31 | Very low | 31.3 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | | | trans | -179.8 | 63.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 107 | L | 26.6 | Very low | 31.4 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | | | | 56.1 | 116.9 | 98.7 | -85.2 | 170.3 | 0 | 0 | 0 | 114.4 | | |
| 108 | C | 24.7 | Very low | 31.1 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 66% | 0.655 | 69% | 0.685 | S | S | * | * | | | trans | 70.9 | 144.3 | 154.7 | -63.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 109 | Y | 24.8 | Very low | 30.8 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 57% | 0.569 | 68% | 0.683 | S | S | * | * | | | cis | -167 | 157.5 | -1.6 | -128.9 | -165.7 | 0 | 0 | 0 | 110.2 | V408 | Y109-V408 HydrophobicContact CE1-CG2 3.91Š|
| 110 | R | 26.9 | Very low | 30.7 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 53% | 0.528 | 68% | 0.679 | S | S | . | * | | | trans | 68.3 | 152.7 | 149.8 | -67.8 | -177.7 | 171 | 140.7 | 4 | 117.6 | | |
| 111 | H | 28.5 | Very low | 30.7 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 56% | 0.56 | 67% | 0.674 | S | S | * | * | | | cis | -160.2 | 138 | -14.2 | -116.8 | -26.5 | 0 | 0 | 0 | 108.3 | | |
| 112 | T | 30.9 | Very low | 30.7 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 54% | 0.54 | 68% | 0.676 | S | S | . | * | | | trans | 55.9 | 118 | 131.3 | 63.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 113 | D | 36 | Very low | 30.5 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | | | | 106.2 | 153.7 | 78.4 | -71.8 | 0.8 | 0 | 0 | 0 | 106.8 | | |
| 114 | D | 36.2 | Very low | 30.8 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 38% | 0.38 | 69% | 0.685 | S | S | . | * | | | cis | -168.2 | 158.5 | -19.2 | -105.7 | -24.6 | 0 | 0 | 0 | 112.8 | E157 | D114-E157 WeakPolarHBondContact CB-O 3.39Š|
| 115 | Y | 35 | Very low | 30.8 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 42% | 0.416 | 68% | 0.681 | S | S | . | * | | | trans | 66.4 | 161.3 | 143.8 | -76.9 | -133.6 | 0 | 0 | 0 | 119.9 | S156 E157 | Y115-S156 VanDerWaalsContact CE1-CA 3.46Å; Y115-S156 PolarHBondContact OH-N 3.45Å; Y115-S156 VanDerWaalsContact OH-N 3.14Å; Y115-E157 VanDerWaalsContact CD1-N 3.3Å |
| 116 | E | 34.8 | Very low | 30.8 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 63% | 0.631 | 67% | 0.674 | S | S | * | * | | | cis | -156.4 | 152.5 | -27 | -116.8 | -175.4 | 171.6 | 0 | 0 | 112.7 | | |
| 117 | I | 33.1 | Very low | 30.6 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 60% | 0.595 | 68% | 0.678 | S | S | * | * | | | trans | 14.7 | 137.2 | 140.8 | -59 | 164.6 | 0 | 0 | 0 | 121.4 | | |
| 118 | Y | 33 | Very low | 30.9 | Very low | 236 Ų | 236 | 133.3 Ų | 133.3 | 93% | 0.925 | 68% | 0.676 | S | S | * | * | | | trans | -147.2 | 174 | 146.2 | -112.9 | -71.2 | 0 | 0 | 0 | 114.1 | | |
| 119 | H | 29.4 | Very low | 31.1 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | | | | -155.9 | 88 | -128.3 | -141.7 | -61 | 0 | 0 | 0 | 117.2 | | |
| 120 | S | 31 | Very low | 31.3 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | | | trans | -158.3 | 135.4 | 166.7 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 121 | S | 31.1 | Very low | 31.5 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | | | cis | 96.4 | 99.5 | 38.5 | -64.7 | 0 | 0 | 0 | 0 | 114 | | |
| 122 | I | 35.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 82% | 0.815 | 71% | 0.711 | S | S | * | * | | | trans | -174.2 | 110.9 | 158.6 | -89.2 | 142.8 | 0 | 0 | 0 | 103.5 | | |
| 123 | E | 27.1 | Very low | 31.4 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | | | | 68 | 89.4 | 62.9 | -64.6 | -164.8 | 163.4 | 0 | 0 | 115.2 | | |
| 124 | K | 34.8 | Very low | 31.1 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | | | trans | -170.5 | 111.7 | 143.8 | -108 | 155.2 | -171.6 | 172.3 | 0 | 114.9 | | |
| 125 | D | 29.2 | Very low | 30.9 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | | | | 51.7 | 106.4 | 128.6 | -56.5 | -25.3 | 0 | 0 | 0 | 123 | | |
| 126 | I | 27.5 | Very low | 30.6 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | | 77.9 | 121.2 | 116.2 | -65.8 | 163.8 | 0 | 0 | 0 | 120.8 | | |
| 127 | C | 26.7 | Very low | 30.3 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | 88.9 | 145.8 | 151.2 | -83.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 128 | T | 31.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | trans | 56 | 90 | 176.6 | 50.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 129 | E | 29.2 | Very low | 29.9 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | | | | 73.3 | 144 | 70 | -67.4 | -168.5 | 137.3 | 0 | 0 | 114.9 | | |
| 130 | L | 30.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 146 Ų | 146 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | 73.5 | 95.2 | -173.9 | -55 | 179.6 | 0 | 0 | 0 | 113.4 | | |
| 131 | D | 29.6 | Very low | 30.3 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | cis | 54.8 | 128.9 | 26.2 | -78.3 | -37.3 | 0 | 0 | 0 | 113.8 | | |
| 132 | N | 30 | Very low | 30.2 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | cis | -146.5 | 145.1 | 8.1 | -126.1 | -74.6 | 0 | 0 | 0 | 109.4 | M134 | N132-M134 PolarHBondContact O-N 3.18Š|
| 133 | P | 28.8 | Very low | 30 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | trans | -66.5 | 124.6 | 173.7 | 27.1 | -34.8 | 0 | 0 | 0 | 111.4 | Y135 | P133-Y135 PolarHBondContact O-N 3.23Š|
| 134 | M | 28.4 | Very low | 30.1 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | | | trans | -74 | 93.7 | 176.9 | -170.7 | 176.3 | -174.4 | 0 | 0 | 111 | N132 I136 | N132-M134 PolarHBondContact O-N 3.18Å; M134-I136 PolarHBondContact O-N 3.48Å |
| 135 | Y | 33 | Very low | 29.9 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | | | trans | -49.7 | 133.9 | 162.8 | -82.1 | -103 | 0 | 0 | 0 | 110.2 | P133 P137 | P133-Y135 PolarHBondContact O-N 3.23Å; Y135-P137 WeakPolarHBondContact O-CD 3.47Å |
| 136 | I | 29 | Very low | 29.9 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | | | trans | -97.3 | 100.8 | 171.1 | -60.9 | 178.5 | 0 | 0 | 0 | 108.1 | M134 I138 | M134-I136 PolarHBondContact O-N 3.48Å; I136-I138 PolarHBondContact O-N 2.98Å; I136-I138 VanDerWaalsContact O-N 3.15Å |
| 137 | P | 28.4 | Very low | 30 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | | | trans | -73.9 | 107.7 | 178 | 29.5 | -34.5 | 0 | 0 | 0 | 110.2 | Y135 K139 | Y135-P137 WeakPolarHBondContact O-CD 3.47Å; P137-K139 PolarHBondContact O-N 2.84Å |
| 138 | I | 30.2 | Very low | 30 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | trans | -71.7 | 86.1 | 166.5 | -55.1 | 179.7 | 0 | 0 | 0 | 107.8 | I136 L140 | I136-I138 PolarHBondContact O-N 2.98Å; I136-I138 VanDerWaalsContact O-N 3.15Å; I138-L140 VanDerWaalsContact C-N 3.31Å; I138-L140 HydrophobicContact CG2-CD2 4.44Å; I138-L140 HydrophobicContact CG2-CG 4.32Å; I138-L140 PolarHBondContact O-N 2.87Å |
| 139 | K | 27.2 | Very low | 29.7 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | | | trans | -68 | 88.3 | 171.4 | -82.2 | -168.3 | 170.9 | -174 | 0 | 110.1 | P137 | P137-K139 PolarHBondContact O-N 2.84Š|
| 140 | L | 37 | Very low | 29.6 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | | | trans | -68.3 | 136.7 | 160.6 | -68.5 | 176.2 | 0 | 0 | 0 | 109.3 | I138 L142 | I138-L140 VanDerWaalsContact C-N 3.31Å; I138-L140 HydrophobicContact CG2-CD2 4.44Å; I138-L140 HydrophobicContact CG2-CG 4.32Å; I138-L140 PolarHBondContact O-N 2.87Å; L140-L142 PolarHBondContact O-N 3.31Å |
| 141 | P | 31.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | | | trans | -76.7 | 110 | -179.9 | 29.6 | -33.1 | 0 | 0 | 0 | 111.6 | | |
| 142 | L | 28.5 | Very low | 29.3 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | | | trans | 24.5 | 106.2 | 139.9 | -58.7 | 171.2 | 0 | 0 | 0 | 117.5 | L140 | L140-L142 PolarHBondContact O-N 3.31Š|
| 143 | S | 32.3 | Very low | 29.2 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 50% | 0.503 | 71% | 0.708 | S | S | . | * | | | | 172.2 | 118.6 | 107.6 | 39.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 144 | S | 29.8 | Very low | 29.3 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | | | trans | 61.8 | 154.8 | 175.4 | 76.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 145 | N | 29.1 | Very low | 29.5 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 54% | 0.535 | 70% | 0.704 | S | S | . | * | | | cis | -164.8 | -178.8 | -39.8 | -96.1 | -25.9 | 0 | 0 | 0 | 108.1 | L681 D682 | N145-L681 HydrophobicContact CB-CD1 3.74Å; N145-L681 HydrophobicContact CB-CD2 4.2Å; N145-L681 HydrophobicContact CB-CG 4.43Å; N145-D682 PolarHBondContact ND2-O 3.31Å |
| 146 | L | 30.3 | Very low | 29.6 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 65% | 0.654 | 69% | 0.686 | S | S | * | * | | | trans | 84.5 | 96.9 | 154.3 | -158.7 | 73.2 | 0 | 0 | 0 | 119.7 | L681 | L146-L681 HydrophobicContact CB-CD1 4.09Å; L146-L681 HydrophobicContact CD1-CD1 3.56Å; L146-L681 HydrophobicContact CG-CD1 4.41Å |
| 147 | Y | 29.6 | Very low | 29.9 | Very low | 151 Ų | 151 | 129 Ų | 129 | 59% | 0.592 | 68% | 0.68 | S | S | * | * | | | trans | 61.9 | 159.5 | 131.2 | -76.2 | -138.7 | 0 | 0 | 0 | 120.5 | | |
| 148 | V | 25.7 | Very low | 30.2 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | | | cis | -155.4 | 149.1 | -20.4 | 122.4 | 0 | 0 | 0 | 0 | 107.9 | V150 | V148-V150 HydrophobicContact CG1-CG2 4.01Š|
| 149 | P | 25.5 | Very low | 30.3 | Very low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | | | trans | -81.2 | 137.4 | 171.9 | 33 | -33 | 0 | 0 | 0 | 112.1 | Y151 | P149-Y151 HydrophobicContact CB-CE2 4.2Š|
| 150 | V | 26.8 | Very low | 30.5 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | | | trans | -128.9 | 126.1 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | V148 Y152 | V148-V150 HydrophobicContact CG1-CG2 4.01Å; V150-Y152 HydrophobicContact CG1-CD2 4.08Å; V150-Y152 HydrophobicContact CG1-CE2 3.68Å |
| 151 | Y | 25.4 | Very low | 30.4 | Very low | 198 Ų | 198 | 121.2 Ų | 121.2 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | | | trans | -111.2 | 147.3 | 178.6 | -64.5 | -96.7 | 0 | 0 | 0 | 110.4 | P149 | P149-Y151 HydrophobicContact CB-CE2 4.2Š|
| 152 | Y | 29.4 | Very low | 30.6 | Very low | 220 Ų | 220 | 124.3 Ų | 124.3 | 86% | 0.863 | 66% | 0.661 | S | S | * | * | | | trans | -142 | 159.9 | 164 | -79.4 | -71.9 | 0 | 0 | 0 | 110.3 | V150 | V150-Y152 HydrophobicContact CG1-CD2 4.08Å; V150-Y152 HydrophobicContact CG1-CE2 3.68Å |
| 153 | V | 27.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 123 Ų | 123 | 75% | 0.745 | 65% | 0.654 | S | S | * | * | | | trans | -146.4 | 166.5 | -151.2 | -153.4 | 0 | 0 | 0 | 0 | 112 | | |
| 154 | Q | 30.9 | Very low | 30.6 | Very low | 181 Ų | 181 | 125 Ų | 125 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | | | trans | 76.2 | 150.5 | 164.4 | -73 | 167.2 | -49.4 | 0 | 0 | 118 | | |
| 155 | S | 32.9 | Very low | 30.8 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | | | cis | -171.9 | 162.2 | -10.3 | 52.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 156 | S | 34.1 | Very low | 30.8 | Very low | 55 Ų | 55 | 132.2 Ų | 132.2 | 39% | 0.385 | 68% | 0.676 | S | S | . | * | | | trans | 71.5 | 126.4 | 135.8 | 59.9 | 0 | 0 | 0 | 0 | 126.4 | Y115 | Y115-S156 VanDerWaalsContact CE1-CA 3.46Å; Y115-S156 PolarHBondContact OH-N 3.45Å; Y115-S156 VanDerWaalsContact OH-N 3.14Å |
| 157 | E | 36.2 | Very low | 31 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 65% | 0.645 | 68% | 0.677 | S | S | * | * | | | trans | 82.2 | 145.8 | 138 | -70 | 163.8 | -150.9 | 0 | 0 | 122.3 | D114 Y115 | D114-E157 WeakPolarHBondContact CB-O 3.39Å; Y115-E157 VanDerWaalsContact CD1-N 3.3Å |
| 158 | E | 34.7 | Very low | 31.3 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | | | cis | -176.5 | 141.9 | -25.1 | -150.8 | -169.5 | -154.8 | 0 | 0 | 113.3 | | |
| 159 | S | 31.6 | Very low | 31.9 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 54% | 0.538 | 68% | 0.682 | S | S | . | * | | | trans | 84.2 | 113.8 | 143.7 | 80 | 0 | 0 | 0 | 0 | 126.8 | | |
| 160 | S | 32.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | | | | 75.2 | 174.8 | 124.1 | 86 | 0 | 0 | 0 | 0 | 122.9 | | |
| 161 | P | 35.4 | Very low | 32.8 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 59% | 0.591 | 69% | 0.687 | S | S | * | * | | | | -142.3 | -163.9 | -53 | 36.7 | -14.9 | 0 | 0 | 0 | 115.8 | | |
| 162 | K | 34.8 | Very low | 33.5 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | | | trans | 85.5 | 154.3 | 156.8 | -66.8 | 160.1 | -175 | 163.3 | 0 | 118.8 | | |
| 163 | L | 31 | Very low | 33.8 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 71% | 0.707 | 68% | 0.678 | S | S | * | * | | | cis | -163.5 | 151.5 | 3.4 | -121.3 | 163.8 | 0 | 0 | 0 | 115.3 | | |
| 164 | N | 30.6 | Very low | 34.1 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 60% | 0.604 | 68% | 0.681 | S | S | * | * | | | trans | 69.2 | 122.7 | 144.2 | -98.8 | 0.9 | 0 | 0 | 0 | 126.8 | | |
| 165 | K | 32.5 | Very low | 34.4 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 73% | 0.726 | 68% | 0.677 | S | S | * | * | | | | 52.4 | 132.9 | 122.3 | -62.9 | 176.3 | -171.5 | 179.3 | 0 | 121.7 | | |
| 166 | H | 29.7 | Very low | 34.4 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 81% | 0.81 | 68% | 0.684 | S | S | * | * | | | | 69.1 | 122.5 | 50.9 | -78.3 | -90.5 | 0 | 0 | 0 | 116.3 | | |
| 167 | N | 33.7 | Very low | 34.4 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | | | | 176.7 | 167.1 | 94.3 | -124.1 | 11.6 | 0 | 0 | 0 | 115 | | |
| 168 | M | 37.3 | Very low | 34.1 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | | | trans | 69.8 | 151.1 | 159.5 | -61 | -10.1 | -150.7 | 0 | 0 | 119.7 | | |
| 169 | D | 37.5 | Very low | 34.3 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | | | cis | -164.3 | 153.9 | -15.1 | -104.9 | -18.9 | 0 | 0 | 0 | 115.8 | | |
| 170 | F | 36.6 | Very low | 34.2 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | | | trans | 54 | 118.2 | 146.1 | -72.4 | -61.9 | 0 | 0 | 0 | 129 | | |
| 171 | N | 35.5 | Very low | 34.3 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | | | | 87.3 | 129.3 | 120.8 | -87 | 21 | 0 | 0 | 0 | 130.3 | | |
| 172 | D | 38.9 | Very low | 34.3 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | | | | 98.6 | 112.6 | 125 | -84.2 | -37.9 | 0 | 0 | 0 | 127.3 | | |
| 173 | S | 36.2 | Very low | 34.2 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | | | trans | 74.9 | 156 | 135.9 | 84.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 174 | K | 34 | Very low | 34.1 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | | | cis | -165.7 | 171.9 | -34.5 | -119.1 | 176 | -177.4 | 171.6 | 0 | 111 | | |
| 175 | N | 37.4 | Very low | 34.1 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | | | trans | 76.7 | 156.5 | 171.5 | -53.5 | -24.8 | 0 | 0 | 0 | 117.6 | | |
| 176 | I | 32.7 | Very low | 33.8 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | | | cis | 161.8 | 112.8 | -45.7 | -85.3 | 160.9 | 0 | 0 | 0 | 108.4 | | |
| 177 | H | 33.6 | Very low | 33.6 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | | | trans | 176 | 130.2 | 131.4 | -116.1 | 20.9 | 0 | 0 | 0 | 116.1 | | |
| 178 | K | 30.5 | Very low | 33.2 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 64% | 0.635 | 72% | 0.721 | S | S | * | * | | | trans | 55.1 | 127.3 | 136.5 | -74.4 | 179.9 | -177.6 | 151.9 | 0 | 125 | | |
| 179 | D | 37.9 | Very low | 32.8 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | trans | 62 | 152 | 132.5 | -45.5 | -23.7 | 0 | 0 | 0 | 122 | | |
| 180 | S | 31.2 | Very low | 32.4 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | | | cis | -168.8 | 143.9 | -35.3 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 181 | N | 33.3 | Very low | 32.1 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | | | trans | 55.9 | 88.5 | 159.9 | -69.3 | -24.2 | 0 | 0 | 0 | 122.4 | | |
| 182 | H | 35.6 | Very low | 31.7 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | | | trans | -159.9 | 143.3 | 132.4 | -123.9 | 63.8 | 0 | 0 | 0 | 117.8 | | |
| 183 | N | 31.7 | Very low | 31.2 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | 2.3 | 137.8 | 164.9 | -85.5 | -40.2 | 0 | 0 | 0 | 125.3 | | |
| 184 | H | 28.9 | Very low | 31 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 73% | 0.731 | 73% | 0.732 | S | S | * | * | | | trans | 74.7 | 147.6 | 142.9 | -78.7 | -64.8 | 0 | 0 | 0 | 122.8 | | |
| 185 | H | 31 | Very low | 30.8 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | | | trans | 63.4 | 114.8 | -178.1 | -67.7 | -80.2 | 0 | 0 | 0 | 115.8 | | |
| 186 | I | 26.7 | Very low | 30.4 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 68% | 0.677 | 73% | 0.726 | S | S | * | * | | | cis | 82.8 | 107.6 | 36.6 | -54.8 | 173 | 0 | 0 | 0 | 114.1 | | |
| 187 | K | 26 | Very low | 30.4 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | | | trans | 72 | 138 | 165.4 | -70.6 | 172.7 | -178 | -175.6 | 0 | 117 | | |
| 188 | S | 25.9 | Very low | 30.1 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | | | cis | -159.2 | 127.4 | -4 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 189 | M | 27.9 | Very low | 30.1 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | | | | 43.9 | 108.2 | 126.3 | -54.9 | 173.4 | 76.9 | 0 | 0 | 119.3 | | |
| 190 | V | 28.9 | Very low | 29.8 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | | | trans | -139.8 | 129.7 | 153.7 | 171.7 | 0 | 0 | 0 | 0 | 108 | | |
| 191 | S | 30.3 | Very low | 29.9 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | | | trans | 45.9 | 129.5 | 160.1 | -68.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 192 | H | 27.4 | Very low | 29.6 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | | | | 65.2 | 134.3 | 66.6 | -64.5 | -56.6 | 0 | 0 | 0 | 112.8 | | |
| 193 | K | 28.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 54% | 0.543 | 73% | 0.734 | S | S | . | * | | | cis | -168 | 170.8 | 3.9 | -147.9 | 170.3 | 166.8 | -164.1 | 0 | 109.7 | | |
| 194 | Y | 31.2 | Very low | 29.3 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 64% | 0.635 | 74% | 0.74 | S | S | * | * | | | trans | 67.8 | 161.8 | 164 | -52.8 | -58.4 | 0 | 0 | 0 | 117.7 | | |
| 195 | L | 31.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | | | cis | -159.1 | 164.7 | -24.3 | -107.5 | 165.1 | 0 | 0 | 0 | 110.2 | | |
| 196 | L | 28.3 | Very low | 29.6 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | 34.5 | 122.5 | 152.1 | -70.2 | 159.7 | 0 | 0 | 0 | 121.2 | | |
| 197 | N | 32.8 | Very low | 29.8 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | | | | -168 | 159.9 | 95.8 | -109.6 | -13.6 | 0 | 0 | 0 | 114.1 | | |
| 198 | S | 26.2 | Very low | 29.8 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | trans | -92.3 | 154.6 | 175.9 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 199 | H | 30.7 | Very low | 30.2 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | | 178.4 | 139.3 | 119.9 | -101.2 | -79.4 | 0 | 0 | 0 | 112.5 | | |
| 200 | D | 31.5 | Very low | 30.6 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | | | trans | 30.5 | 121.5 | 148.9 | -38.7 | -28.8 | 0 | 0 | 0 | 119.3 | | |
| 201 | N | 33.2 | Very low | 30.7 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | | | | -162.4 | 164.7 | 67.3 | -98.4 | -83.2 | 0 | 0 | 0 | 114.6 | | |
| 202 | L | 27 | Very low | 30.8 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | -84.6 | 147 | 178.7 | -65.1 | 75.3 | 0 | 0 | 0 | 112.4 | | |
| 203 | S | 30 | Very low | 31.1 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | 152 | 136.1 | 141.6 | 178.2 | 0 | 0 | 0 | 0 | 111 | | |
| 204 | K | 30.4 | Very low | 31.2 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | cis | -173.4 | 147.9 | -18.7 | -111.6 | 173.2 | 179.7 | -179.9 | 0 | 104.7 | | |
| 205 | Q | 29.5 | Very low | 31 | Very low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | 64.5 | 153.7 | 174.1 | -61.9 | 165 | -101.5 | 0 | 0 | 113.5 | | |
| 206 | D | 38 | Very low | 31 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | cis | -122.6 | 176 | 14.7 | -143.4 | -15.3 | 0 | 0 | 0 | 114 | | |
| 207 | E | 29.6 | Very low | 31 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -78.8 | 152.1 | -160 | -66.8 | -169.6 | 150.1 | 0 | 0 | 117.4 | | |
| 208 | S | 27.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -58.4 | 143.4 | 177.4 | 52.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 209 | Q | 33.9 | Very low | 31 | Very low | 154 Ų | 154 | 153.2 Ų | 153.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -156.9 | 147.8 | 135.7 | -126 | 178.3 | 84.4 | 0 | 0 | 114.7 | | |
| 210 | R | 35.3 | Very low | 31 | Very low | 221 Ų | 221 | 152.6 Ų | 152.6 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | 75.4 | 96 | 162.6 | -61.8 | 169.8 | -165.4 | -129.8 | -5.7 | 117.1 | | |
| 211 | L | 31.2 | Very low | 30.9 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | trans | -62.8 | 150.6 | 166.5 | -83.9 | 154.6 | 0 | 0 | 0 | 113.5 | | |
| 212 | A | 32.5 | Very low | 30.9 | Very low | 96 Ų | 96 | 155.1 Ų | 155.1 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | | | trans | 26.7 | 124.8 | 143 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 213 | S | 33 | Very low | 31.1 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -85.5 | 147.9 | 159 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 214 | D | 31.2 | Very low | 31 | Very low | 143 Ų | 143 | 156.3 Ų | 156.3 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | trans | -72.8 | 151.6 | 179.3 | -82.9 | -57.1 | 0 | 0 | 0 | 116.6 | | |
| 215 | Y | 28.5 | Very low | 31 | Very low | 193 Ų | 193 | 156.7 Ų | 156.7 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | trans | 20.7 | 108.6 | 156 | -65 | -85.8 | 0 | 0 | 0 | 121.6 | | |
| 216 | H | 30 | Very low | 31.1 | Very low | 174 Ų | 174 | 156 Ų | 156 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | | 47.8 | 116.6 | 106.9 | -76.3 | -73.6 | 0 | 0 | 0 | 120.8 | | |
| 217 | I | 29.6 | Very low | 30.6 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | | | trans | -100.1 | 128.8 | 159.7 | -63 | 169.3 | 0 | 0 | 0 | 108.3 | | |
| 218 | N | 28.4 | Very low | 30.8 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | | | trans | -108.3 | 149.6 | -173.7 | -157.8 | -3.9 | 0 | 0 | 0 | 113.8 | | |
| 219 | I | 30.2 | Very low | 30.9 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 70% | 0.697 | 80% | 0.804 | S | S | * | * | | | trans | -33.3 | 145.1 | -174.5 | -65 | 158.7 | 0 | 0 | 0 | 117.2 | | |
| 220 | N | 29.7 | Very low | 30.9 | Very low | 143 Ų | 143 | 151 Ų | 151 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | -120.1 | 127.9 | 164.6 | -175.1 | 11.1 | 0 | 0 | 0 | 110.3 | | |
| 221 | N | 30.1 | Very low | 30.6 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -98.8 | 136.8 | -174.9 | -83.5 | -34.9 | 0 | 0 | 0 | 112.7 | | |
| 222 | Q | 32.9 | Very low | 30.7 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | -149.2 | 148.3 | 170.5 | -69.3 | -167 | -4.5 | 0 | 0 | 113.2 | | |
| 223 | G | 31.2 | Very low | 30.7 | Very low | 76 Ų | 76 | 146.1 Ų | 146.1 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | | | trans | 101.5 | 104.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 224 | Y | 28 | Very low | 30.8 | Very low | 224 Ų | 224 | 146.3 Ų | 146.3 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | | | trans | -101.6 | 176.5 | 165.1 | -99.5 | -106.9 | 0 | 0 | 0 | 111.1 | | |
| 225 | E | 29.6 | Very low | 30.9 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | trans | 94.1 | 100.8 | 160.7 | -55.2 | -171.3 | -175.2 | 0 | 0 | 119.9 | | |
| 226 | N | 31.5 | Very low | 31.4 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | | | | -162.4 | 178.6 | 108.2 | -128.9 | -51 | 0 | 0 | 0 | 113.3 | | |
| 227 | C | 28.6 | Very low | 31.7 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -134.7 | 176.5 | -171.2 | -78.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 228 | I | 34.6 | Very low | 31.9 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | | | trans | -91.5 | 153.1 | -155 | -69.6 | 167.8 | 0 | 0 | 0 | 116.3 | | |
| 229 | S | 29.4 | Very low | 32 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | -157 | 159.1 | 165.6 | 46.4 | 0 | 0 | 0 | 0 | 112 | | |
| 230 | K | 33.2 | Very low | 32.1 | Very low | 98 Ų | 98 | 141 Ų | 141 | 43% | 0.426 | 74% | 0.74 | S | S | . | * | | | cis | -162.8 | 165 | -24.9 | -94 | -162.9 | 171 | 163.4 | 0 | 110.2 | D430 V431 D432 | K230-D430 VanDerWaalsContact CA-OD2 3.23Å; K230-D430 WeakPolarHBondContact CA-OD2 3.21Å; K230-D430 HydrophobicContact CB-CB 4.01Å; K230-D430 WeakPolarHBondContact CB-OD2 3.23Å; K230-D430 HydrophobicContact CD-CB 4.09Å; K230-D430 VanDerWaalsContact CD-CG 3.41Å; K230-D430 WeakPolarHBondContact CD-OD1 3.31Å; K230-D430 WeakPolarHBondContact CE-OD1 3.14Å; K230-D430 HydrophobicContact CG-CB 4.22Å; K230-D430 WeakPolarHBondContact CG-OD2 3.4Å; K230-D430 IonicContact NZ-OD1 3.28Å; K230-V431 PolarHBondContact NZ-O 3.3Å; K230-D432 HydrophobicContact CD-CB 3.95Å; K230-D432 WeakPolarHBondContact CD-OD1 3.32Å; K230-D432 IonicContact NZ-OD1 3.99Å; K230-D432 PolarHBondContact NZ-OD1 2.88Å |
| 231 | Y | 29.1 | Very low | 32.3 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 52% | 0.518 | 74% | 0.741 | S | S | . | * | | | trans | -90.5 | 174.7 | 176.4 | -9.2 | -95.9 | 0 | 0 | 0 | 115.8 | S428 P429 D430 | Y231-S428 WeakPolarHBondContact CB-O 3.44Å; Y231-S428 WeakPolarHBondContact CD2-O 3.4Å; Y231-P429 VanDerWaalsContact CD2-C 3.43Å; Y231-D430 HydrophobicContact CD2-CB 3.4Å; Y231-D430 VanDerWaalsContact CD2-CB 3.4Å; Y231-D430 WeakPolarHBondContact CD2-OD2 3.44Å; Y231-D430 HydrophobicContact CE2-CB 4.34Å; Y231-D430 HydrophobicContact CG-CB 4Å; Y231-D430 PolarHBondContact N-OD2 3.13Å; Y231-D430 WeakPolarHBondContact O-CB 3.14Å |
| 232 | D | 33.5 | Very low | 32.2 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 47% | 0.465 | 74% | 0.737 | S | S | . | * | | | trans | -173.6 | 145.5 | 130.2 | -146.8 | -21.5 | 0 | 0 | 0 | 116.3 | P429 | D232-P429 WeakPolarHBondContact OD1-CB 3.25Š|
| 233 | R | 32.2 | Very low | 32.1 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 64% | 0.638 | 73% | 0.733 | S | S | * | * | | | trans | 15.4 | 136.3 | 161.4 | -88.3 | 160.8 | -79 | -148.4 | -5.7 | 120.9 | P429 | R233-P429 HydrophobicContact CG-CB 4Š|
| 234 | T | 36.2 | Very low | 32.1 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 76% | 0.761 | 73% | 0.731 | S | S | * | * | | | | -170.9 | 137 | 70.9 | 44.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 235 | K | 32.7 | Very low | 32.4 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | | | | 34.2 | 159.9 | 127.7 | -66.9 | -173.9 | 175.6 | -172.1 | 0 | 123.5 | | |
| 236 | P | 39.1 | Very low | 32.3 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | | | cis | -137.5 | -179.5 | -25.2 | 38.7 | -19.7 | 0 | 0 | 0 | 115.6 | | |
| 237 | E | 35.6 | Very low | 32.5 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | | | trans | -94.1 | 162 | -178.9 | -59.1 | 155.8 | 139.3 | 0 | 0 | 114.4 | | |
| 238 | P | 34.2 | Very low | 32.6 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | | | | -139.2 | 131.2 | 107 | 35.2 | -21.6 | 0 | 0 | 0 | 113.7 | | |
| 239 | N | 31.6 | Very low | 32.4 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | | | | 89.5 | 154.4 | 82.5 | -115.1 | 27.7 | 0 | 0 | 0 | 113.9 | | |
| 240 | P | 31.6 | Very low | 32.5 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 52% | 0.519 | 70% | 0.704 | S | S | . | * | | | | -131.1 | -172.1 | -123.5 | 30.7 | -6.7 | 0 | 0 | 0 | 115.9 | | |
| 241 | Y | 33.3 | Very low | 32.3 | Very low | 201 Ų | 201 | 140.9 Ų | 140.9 | 79% | 0.788 | 72% | 0.722 | S | S | * | * | | | trans | 74.3 | 137.1 | 177.1 | -44.6 | -72.1 | 0 | 0 | 0 | 115.7 | | |
| 242 | D | 28.7 | Very low | 32.2 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | | | cis | -165.3 | 159.2 | -23 | -114.7 | -6.9 | 0 | 0 | 0 | 108.7 | | |
| 243 | L | 29.5 | Very low | 32.1 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | 62.7 | 156.3 | 168.3 | -59.8 | 151 | 0 | 0 | 0 | 117 | | |
| 244 | E | 31.4 | Very low | 32.1 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | cis | -164.3 | 168.7 | -47.7 | -130.9 | 179 | -157.6 | 0 | 0 | 107.7 | | |
| 245 | I | 34.7 | Very low | 32.1 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | | | trans | 68.3 | 104.7 | 166.8 | -58.7 | 162.5 | 0 | 0 | 0 | 116.9 | | |
| 246 | C | 28.1 | Very low | 32 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | | | | 41 | 142.8 | 124.8 | -53.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 247 | N | 36 | Very low | 31.7 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | cis | -166.2 | 138.2 | 31.4 | -130.3 | 2.7 | 0 | 0 | 0 | 113.5 | | |
| 248 | V | 29.9 | Very low | 31.4 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | | | trans | 59.3 | 156.4 | 135.4 | 178.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 249 | Q | 30.1 | Very low | 31.2 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | trans | 80.9 | 133.5 | -178.7 | -51.5 | -164.8 | -0.3 | 0 | 0 | 115.4 | | |
| 250 | T | 31.4 | Very low | 31 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | cis | -152.1 | 132.2 | -8.9 | 4.5 | 0 | 0 | 0 | 0 | 111 | | |
| 251 | E | 28.9 | Very low | 30.8 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | 44.5 | 160.3 | 135.2 | -62.3 | -175.6 | 161.4 | 0 | 0 | 124.8 | | |
| 252 | L | 28 | Very low | 30.3 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | trans | 82.5 | 127.3 | 160.5 | -69.2 | 161.2 | 0 | 0 | 0 | 120.6 | | |
| 253 | N | 31.6 | Very low | 30.2 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | | | trans | 70.4 | 141.5 | 152 | -53.7 | -12.8 | 0 | 0 | 0 | 118.5 | | |
| 254 | E | 32.6 | Very low | 30 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | | | cis | -156.7 | 151.7 | -9 | -122.6 | 178 | -160.5 | 0 | 0 | 109.9 | | |
| 255 | P | 35.3 | Very low | 29.6 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | | | trans | -100.6 | 123.5 | -179.4 | 35.1 | -28.4 | 0 | 0 | 0 | 112.9 | | |
| 256 | L | 30 | Very low | 29 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | | | trans | -139.9 | 142 | -179.1 | -127.1 | 83.9 | 0 | 0 | 0 | 116.4 | | |
| 257 | M | 34.4 | Very low | 28.8 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | | | trans | 59.1 | 97.3 | 156 | -61.1 | -54.5 | 168.5 | 0 | 0 | 121.3 | | |
| 258 | N | 29 | Very low | 28.4 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | | -20.4 | 128.7 | 121.7 | -64 | -53.8 | 0 | 0 | 0 | 115.1 | | |
| 259 | T | 28.8 | Very low | 28.3 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 69% | 0.693 | 73% | 0.732 | S | S | * | * | | | trans | -161.3 | 114.4 | 136.5 | 21.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 260 | K | 28.2 | Very low | 28 | Very low | 170 Ų | 170 | 139 Ų | 139 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | | | | 79.9 | 133.4 | 86.1 | -79.7 | -174.6 | -167.7 | 169.3 | 0 | 114 | | |
| 261 | Q | 27 | Very low | 27.8 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | trans | 62.8 | 107.2 | 139.9 | -70.9 | 167.6 | -25.1 | 0 | 0 | 117.6 | | |
| 262 | S | 22.5 | Very low | 28.1 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | | | | 30 | 122 | 111.1 | 68.8 | 0 | 0 | 0 | 0 | 117 | | |
| 263 | G | 26.6 | Very low | 28.1 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | | | | 35.1 | 132.8 | 98.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 264 | K | 25.4 | Very low | 28.2 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | | -158 | -179.8 | 66.7 | -80.2 | 139.8 | -179.3 | 170.9 | 0 | 110.8 | | |
| 265 | Y | 22.4 | Very low | 28 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | trans | 82.6 | 126.3 | 145.1 | -71.7 | -48 | 0 | 0 | 0 | 118.7 | | |
| 266 | K | 23.5 | Very low | 27.8 | Very low | 166 Ų | 166 | 145 Ų | 145 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | trans | 70.5 | 129.2 | 130.9 | -64.8 | 165.5 | -169.6 | 157 | 0 | 116.4 | | |
| 267 | S | 24.1 | Very low | 27.7 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | cis | -164.7 | -178 | -2.2 | 43.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 268 | K | 26.9 | Very low | 27.4 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 81% | 0.809 | 76% | 0.755 | S | S | * | * | | | | -4.3 | 129.3 | 121.6 | -37 | 173.9 | -177.5 | -177.7 | 0 | 111.6 | | |
| 269 | T | 26.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | cis | -148.5 | 140.7 | 39.7 | 30.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 270 | N | 24.5 | Very low | 27.7 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | | 67.8 | 133.4 | 66.6 | -168.1 | 12.4 | 0 | 0 | 0 | 113.2 | | |
| 271 | K | 28.5 | Very low | 27.7 | Very low | 198 Ų | 198 | 149.9 Ų | 149.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | 75.4 | 131.3 | -176.6 | -50.3 | 177 | -178.1 | -178.9 | 0 | 115 | | |
| 272 | G | 34.5 | Very low | 27.9 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | 153.8 | 15.3 | 179 | 0 | 0 | 0 | 0 | 0 | 117.3 | L274 | G272-L274 PolarHBondContact O-N 3.21Å; G272-L274 VanDerWaalsContact O-N 3.13Å |
| 273 | L | 28.1 | Very low | 28.2 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -79.1 | 95.9 | -178.2 | -166.3 | 166.6 | 0 | 0 | 0 | 110.6 | | |
| 274 | L | 32.5 | Very low | 28.4 | Very low | 155 Ų | 155 | 157.6 Ų | 157.6 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | trans | -143.5 | 117.7 | 171.7 | -117 | 167.1 | 0 | 0 | 0 | 111.9 | G272 | G272-L274 PolarHBondContact O-N 3.21Å; G272-L274 VanDerWaalsContact O-N 3.13Å |
| 275 | K | 29.1 | Very low | 28.5 | Very low | 191 Ų | 191 | 157 Ų | 157 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | -83.6 | 118.2 | 176.8 | -62.4 | 170.9 | 179.3 | 174.3 | 0 | 110.3 | | |
| 276 | Q | 30.2 | Very low | 29 | Very low | 170 Ų | 170 | 157 Ų | 157 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -135.3 | 130.9 | 152.8 | -76.5 | -178.4 | -14.7 | 0 | 0 | 106.7 | | |
| 277 | K | 28.7 | Very low | 29.3 | Very low | 193 Ų | 193 | 155.8 Ų | 155.8 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | | 45.1 | 119.1 | 82.2 | -76 | -174.8 | 173.5 | -177 | 0 | 109.9 | | |
| 278 | L | 28.5 | Very low | 29.6 | Very low | 126 Ų | 126 | 158.3 Ų | 158.3 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | cis | -158.2 | 147.5 | 37.4 | -159.6 | 64.1 | 0 | 0 | 0 | 110.4 | F280 | L278-F280 HydrophobicContact CD2-CD2 4.16Å; L278-F280 HydrophobicContact CD2-CE2 3.62Å; L278-F280 HydrophobicContact CD2-CZ 4.08Å |
| 279 | Q | 32.3 | Very low | 30 | Very low | 195 Ų | 195 | 157 Ų | 157 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | | | trans | -78.8 | 122.9 | 168.3 | -76.3 | -171.4 | -4.1 | 0 | 0 | 110.2 | | |
| 280 | F | 31.8 | Very low | 30.2 | Very low | 169 Ų | 169 | 158 Ų | 158 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -134.4 | 109.1 | 161.3 | -84.8 | -59.7 | 0 | 0 | 0 | 109.1 | L278 | L278-F280 HydrophobicContact CD2-CD2 4.16Å; L278-F280 HydrophobicContact CD2-CE2 3.62Å; L278-F280 HydrophobicContact CD2-CZ 4.08Å |
| 281 | M | 27.8 | Very low | 30.5 | Very low | 140 Ų | 140 | 158.3 Ų | 158.3 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | | | trans | -178.3 | 98.9 | 137.2 | -97.8 | -52.6 | 107.7 | 0 | 0 | 111.2 | | |
| 282 | K | 31.7 | Very low | 30.8 | Very low | 158 Ų | 158 | 155.2 Ų | 155.2 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | 46.4 | 88.3 | 138.6 | -59.9 | 172.8 | -172.9 | 159.4 | 0 | 117.9 | K284 | K282-K284 PolarHBondContact O-N 2.97Š|
| 283 | P | 28.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 159.1 Ų | 159.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | -60.6 | 133.3 | 149.2 | 29.3 | -33.8 | 0 | 0 | 0 | 109.5 | | |
| 284 | K | 29.6 | Very low | 30.8 | Very low | 197 Ų | 197 | 159.1 Ų | 159.1 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | -109.8 | 89.8 | 168.3 | -87.1 | -172.2 | 173.6 | 179.9 | 0 | 109.5 | K282 K286 | K282-K284 PolarHBondContact O-N 2.97Å; K284-K286 PolarHBondContact O-N 3.32Å |
| 285 | I | 29.1 | Very low | 30.6 | Very low | 158 Ų | 158 | 160.9 Ų | 160.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -73 | 116.5 | 169.2 | -61.5 | 171.4 | 0 | 0 | 0 | 108.2 | | |
| 286 | K | 31.6 | Very low | 30.7 | Very low | 180 Ų | 180 | 159.3 Ų | 159.3 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -154.4 | 132.4 | 163.1 | -82.2 | -158.6 | 176.6 | -167 | 0 | 108.8 | K284 | K284-K286 PolarHBondContact O-N 3.32Š|
| 287 | M | 30.9 | Very low | 30.7 | Very low | 140 Ų | 140 | 157.7 Ų | 157.7 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | | | cis | -140.3 | 127.8 | -27.2 | -81.4 | 178.9 | 161.6 | 0 | 0 | 105.2 | | |
| 288 | N | 30.1 | Very low | 30.9 | Very low | 149 Ų | 149 | 155.9 Ų | 155.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -115.5 | 115.5 | 160.9 | -167.9 | 11.8 | 0 | 0 | 0 | 106.2 | | |
| 289 | M | 34.2 | Very low | 31.3 | Very low | 160 Ų | 160 | 155 Ų | 155 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | -89.6 | 123.2 | 177.6 | -76.5 | -173.6 | 168.8 | 0 | 0 | 108.3 | | |
| 290 | N | 32.5 | Very low | 31.2 | Very low | 143 Ų | 143 | 155.1 Ų | 155.1 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | -69.1 | 151.1 | -178.8 | -68.5 | -18.4 | 0 | 0 | 0 | 111.7 | | |
| 291 | N | 31.1 | Very low | 31.1 | Very low | 140 Ų | 140 | 150.5 Ų | 150.5 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | -32.6 | 127.8 | 170.9 | -51.4 | -3.5 | 0 | 0 | 0 | 114.9 | | |
| 292 | T | 34 | Very low | 31.2 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | | | | -134.4 | 115 | 129.9 | 32.1 | 0 | 0 | 0 | 0 | 104.2 | | |
| 293 | E | 28.5 | Very low | 31 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | | 49.8 | 82.9 | 66.3 | -64.5 | -174.2 | -169.1 | 0 | 0 | 111.8 | | |
| 294 | N | 33.7 | Very low | 31.1 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | | -169.9 | 143.8 | 116.8 | -90.9 | -49.7 | 0 | 0 | 0 | 111.4 | | |
| 295 | E | 28.2 | Very low | 31.2 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | -82.6 | 122.9 | 177 | -58.7 | 170 | 105.6 | 0 | 0 | 110.9 | | |
| 296 | I | 31.4 | Very low | 31.4 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | trans | -136.1 | 98.4 | 159.3 | -59.2 | -174.7 | 0 | 0 | 0 | 111.2 | | |
| 297 | V | 29.9 | Very low | 31.6 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | 49.4 | 101.7 | 135 | -171.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 298 | I | 33.5 | Very low | 31.8 | Very low | 154 Ų | 154 | 147 Ų | 147 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 160.8 | 152.2 | -59.4 | 154.3 | 0 | 0 | 0 | 110 | | |
| 299 | P | 37.1 | Very low | 31.8 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | cis | -125.2 | 174 | -14.5 | 35.7 | -20.4 | 0 | 0 | 0 | 114.4 | | |
| 300 | E | 30.7 | Very low | 31.6 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | | | trans | -160 | 103.4 | 136.7 | -117.9 | 171.3 | -145 | 0 | 0 | 109.6 | | |
| 301 | G | 28.2 | Very low | 31.4 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | | 104.2 | 153.6 | 101.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 302 | Q | 30.3 | Very low | 31.5 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | cis | -138.3 | 156.5 | -16 | -67.2 | -162.6 | 25.3 | 0 | 0 | 109.8 | | |
| 303 | R | 27.1 | Very low | 31.3 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | | 26.6 | 142 | 127.8 | -48.8 | 169.9 | 177.3 | 157.2 | -13.8 | 117.6 | | |
| 304 | K | 32.5 | Very low | 31.3 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 70% | 0.704 | 75% | 0.748 | S | S | * | * | | | | -153.4 | 143 | 56.7 | -82.5 | -178.8 | 177.4 | 178.5 | 0 | 111.3 | | |
| 305 | I | 31.2 | Very low | 30.9 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | | 58.6 | 124 | 100.8 | -48.2 | 168.7 | 0 | 0 | 0 | 110.8 | | |
| 306 | A | 33.3 | Very low | 30.9 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | cis | -148.9 | 179.9 | 41.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 307 | D | 35.4 | Very low | 30.8 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | cis | -155.7 | 178.5 | -11.1 | -133.6 | -25.3 | 0 | 0 | 0 | 112.9 | | |
| 308 | E | 34.7 | Very low | 30.9 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | | | trans | 12.4 | 159.9 | 144 | -78.5 | -164.6 | 168.4 | 0 | 0 | 123.7 | | |
| 309 | S | 31.1 | Very low | 30.6 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | | | cis | -163.8 | 153.3 | -15 | -177.6 | 0 | 0 | 0 | 0 | 111 | | |
| 310 | N | 29.8 | Very low | 30 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | | | trans | -1.4 | 139.6 | 162.9 | -60.8 | -86 | 0 | 0 | 0 | 122.7 | | |
| 311 | R | 28.2 | Very low | 29.8 | Very low | 206 Ų | 206 | 140 Ų | 140 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | | | trans | 109.2 | 91.2 | 132.9 | -158.5 | -180 | -166.3 | 173.2 | 1.7 | 118.8 | E313 | R311-E313 IonicContact CZ-OE2 2.72Å; R311-E313 VanDerWaalsContact CZ-OE2 3.27Å; R311-E313 IonicContact NE-OE2 2.75Å; R311-E313 PolarHBondContact NE-OE2 2.69Å; R311-E313 IonicContact NH2-OE2 2.96Å; R311-E313 PolarHBondContact NH2-OE2 2.78Å |
| 312 | T | 33.7 | Very low | 29.9 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | S | Bend | | -80 | 150.3 | 121.2 | 8.2 | 0 | 0 | 0 | 0 | 109.4 | K314 | T312-K314 PolarHBondContact O-N 3.09Š|
| 313 | E | 28 | Very low | 29.7 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 53% | 0.528 | 74% | 0.74 | S | S | . | * | | | trans | -72 | 95.3 | 166.8 | -168.5 | 60.1 | -132.3 | 0 | 0 | 109.9 | R311 | R311-E313 IonicContact CZ-OE2 2.72Å; R311-E313 VanDerWaalsContact CZ-OE2 3.27Å; R311-E313 IonicContact NE-OE2 2.75Å; R311-E313 PolarHBondContact NE-OE2 2.69Å; R311-E313 IonicContact NH2-OE2 2.96Å; R311-E313 PolarHBondContact NH2-OE2 2.78Å |
| 314 | K | 28.5 | Very low | 29.8 | Very low | 135 Ų | 135 | 144 Ų | 144 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | | | trans | 24.8 | 117.4 | 147.1 | -75.7 | 173.8 | -173.8 | 149.6 | 0 | 118.5 | T312 | T312-K314 PolarHBondContact O-N 3.09Š|
| 315 | R | 26.2 | Very low | 29.6 | Very low | 197 Ų | 197 | 146 Ų | 146 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | 74.9 | 141.1 | 141.8 | -50.6 | 156.7 | 174 | 171.8 | -8.7 | 114.4 | | |
| 316 | R | 29.1 | Very low | 29.4 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | cis | -141.3 | 163.1 | 33 | -94.8 | 91.9 | 178.5 | -164.3 | -5.7 | 112.7 | | |
| 317 | K | 28 | Very low | 29 | Very low | 190 Ų | 190 | 153.8 Ų | 153.8 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | 23.5 | 134.3 | 134.6 | -46 | 174.1 | 180 | -173.6 | 0 | 116.3 | | |
| 318 | V | 31.7 | Very low | 28.6 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | | | cis | -152 | 156.2 | 47.7 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 319 | G | 28 | Very low | 28.3 | Very low | 56 Ų | 56 | 159 Ų | 159 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | | | cis | -161.9 | 167.6 | 3.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 320 | C | 24.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 162.7 Ų | 162.7 | 86% | 0.858 | 78% | 0.784 | S | S | * | * | | | | 52.2 | 118.6 | 78.2 | -63.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 321 | S | 25.5 | Very low | 28.2 | Very low | 102 Ų | 102 | 164.4 Ų | 164.4 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | cis | -155.5 | 154.8 | -2.4 | -72.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 322 | P | 30.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 163.1 Ų | 163.1 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | trans | -65.7 | 159.5 | 170.9 | -20.3 | 33.5 | 0 | 0 | 0 | 113.9 | L324 | P322-L324 PolarHBondContact O-N 3.47Š|
| 323 | K | 26.3 | Very low | 28.3 | Very low | 207 Ų | 207 | 163.9 Ų | 163.9 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | | | trans | -64.9 | 115.5 | 177.6 | -56.8 | 158.9 | -175.2 | 166.5 | 0 | 111.1 | | |
| 324 | L | 29.6 | Very low | 28.6 | Very low | 151 Ų | 151 | 164.4 Ų | 164.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -132.5 | 130 | 156.9 | -81.8 | 178.6 | 0 | 0 | 0 | 110.9 | P322 | P322-L324 PolarHBondContact O-N 3.47Š|
| 325 | K | 28 | Very low | 29 | Very low | 206 Ų | 206 | 165.9 Ų | 165.9 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | | | trans | -99.8 | 104.1 | 177.6 | -65.1 | 175.9 | -179.3 | 176.2 | 0 | 108.8 | | |
| 326 | F | 28 | Very low | 29.2 | Very low | 191 Ų | 191 | 163.1 Ų | 163.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -108.8 | 135 | 162.4 | -83.1 | -84.2 | 0 | 0 | 0 | 110 | | |
| 327 | K | 25.3 | Very low | 29.6 | Very low | 201 Ų | 201 | 161 Ų | 161 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -97.1 | 143 | 179 | -75.4 | -178.9 | 173.8 | 179.9 | 0 | 109.5 | | |
| 328 | K | 26.4 | Very low | 30 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | | | trans | 54.7 | 118.1 | 168.8 | -71.6 | -167.1 | 167.4 | -158.8 | 0 | 116 | | |
| 329 | Y | 28.9 | Very low | 30 | Very low | 228 Ų | 228 | 158.5 Ų | 158.5 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | | | | -147.6 | 142.5 | 99.4 | -110.3 | -79.6 | 0 | 0 | 0 | 109.3 | | |
| 330 | E | 26.6 | Very low | 30.3 | Very low | 162 Ų | 162 | 163.9 Ų | 163.9 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | | | trans | -89.1 | 132.2 | 164.1 | -68.2 | 160.6 | 109.1 | 0 | 0 | 107.3 | | |
| 331 | H | 32 | Very low | 30.6 | Very low | 186 Ų | 186 | 165.8 Ų | 165.8 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | -158.8 | 138.2 | 144.7 | -123.2 | -81.6 | 0 | 0 | 0 | 110.7 | | |
| 332 | Q | 31.7 | Very low | 31 | Very low | 179 Ų | 179 | 171.8 Ų | 171.8 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | | | trans | -75 | 140 | 169.4 | -60.4 | 152.5 | -22.9 | 0 | 0 | 108.7 | | |
| 333 | N | 32.7 | Very low | 31.4 | Very low | 155 Ų | 155 | 172.3 Ų | 172.3 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -154.8 | 154.9 | 130.1 | -143.9 | -8.6 | 0 | 0 | 0 | 112.7 | | |
| 334 | I | 33.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 169.9 Ų | 169.9 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | | | trans | -88.3 | 153.9 | 174.3 | -64.6 | 156.3 | 0 | 0 | 0 | 108.5 | D336 | I334-D336 VanDerWaalsContact CG2-OD2 3.31Å; I334-D336 WeakPolarHBondContact CG2-OD2 3.33Å |
| 335 | N | 36.6 | Very low | 31.9 | Very low | 165 Ų | 165 | 172.3 Ų | 172.3 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | -161.2 | 113.2 | 154.5 | -102.7 | -27 | 0 | 0 | 0 | 110.6 | | |
| 336 | D | 31.9 | Very low | 32.1 | Very low | 139 Ų | 139 | 168 Ų | 168 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | -96.5 | 124.9 | 178.4 | -58.1 | -80 | 0 | 0 | 0 | 111.8 | I334 | I334-D336 VanDerWaalsContact CG2-OD2 3.31Å; I334-D336 WeakPolarHBondContact CG2-OD2 3.33Å |
| 337 | L | 35.4 | Very low | 32.1 | Very low | 157 Ų | 157 | 165.4 Ų | 165.4 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -169.4 | 131.7 | 163.2 | -140.2 | 65.3 | 0 | 0 | 0 | 106.1 | | |
| 338 | E | 37.4 | Very low | 32.6 | Very low | 178 Ų | 178 | 164.9 Ų | 164.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | cis | -128.9 | 154.3 | 13.8 | -56.1 | 152.4 | 146.2 | 0 | 0 | 108.2 | | |
| 339 | V | 31.2 | Very low | 32.6 | Very low | 108 Ų | 108 | 160 Ų | 160 | 66% | 0.655 | 80% | 0.799 | S | S | * | * | | | cis | 81.2 | 63.4 | 18.1 | -161 | 0 | 0 | 0 | 0 | 116.8 | | |
| 340 | M | 34.2 | Very low | 33 | Very low | 169 Ų | 169 | 155.9 Ų | 155.9 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | | | trans | -151 | 117.7 | 132.4 | -81.9 | -158.3 | -74 | 0 | 0 | 107.5 | | |
| 341 | Q | 32.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 155.4 Ų | 155.4 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | | 62.9 | 96.3 | 60.7 | -65.5 | -161.9 | 8.7 | 0 | 0 | 115.3 | | |
| 342 | R | 32.4 | Very low | 33.2 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | | -172.4 | 159.4 | 124 | -104.9 | 169.9 | -173.8 | 129.2 | 2.9 | 112.3 | | |
| 343 | N | 39.9 | Very low | 33.1 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | 86.1 | 79.8 | 173.7 | -56.5 | 11.5 | 0 | 0 | 0 | 117.5 | | |
| 344 | D | 35.7 | Very low | 32.9 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | | 72.5 | 149.3 | 124.8 | -50.5 | -39.5 | 0 | 0 | 0 | 123.3 | | |
| 345 | K | 29.7 | Very low | 32.6 | Very low | 203 Ų | 203 | 149.2 Ų | 149.2 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -104 | 172.9 | -170.3 | -78.3 | -179.4 | -178.9 | -180 | 0 | 109.7 | | |
| 346 | P | 32.6 | Very low | 32.2 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | cis | -133.5 | 174.3 | 16.9 | 40.9 | -23.3 | 0 | 0 | 0 | 117.2 | | |
| 347 | V | 28.8 | Very low | 32 | Very low | 135 Ų | 135 | 154.2 Ų | 154.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -105.3 | 127.3 | 165.3 | 170 | 0 | 0 | 0 | 0 | 107.7 | | |
| 348 | E | 34.2 | Very low | 31.8 | Very low | 191 Ų | 191 | 155 Ų | 155 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | trans | -83.7 | 147.8 | 159.6 | -69.9 | -166.4 | 141 | 0 | 0 | 110.1 | | |
| 349 | A | 27.1 | Very low | 31.4 | Very low | 81 Ų | 81 | 151.8 Ų | 151.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -136.6 | 119.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 350 | V | 36.3 | Very low | 31.3 | Very low | 140 Ų | 140 | 154.9 Ų | 154.9 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -136.3 | 90.1 | 166.2 | -176.9 | 0 | 0 | 0 | 0 | 106 | | |
| 351 | I | 34.4 | Very low | 31.1 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | | 87 | 139.6 | 85.2 | -72.3 | 165.1 | 0 | 0 | 0 | 112.7 | | |
| 352 | S | 30.4 | Very low | 31 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -70.1 | 158.1 | -166.2 | 55.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 353 | G | 28.8 | Very low | 31 | Very low | 67 Ų | 67 | 144.1 Ų | 144.1 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | | 123.5 | 97.4 | 109.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 354 | K | 29.2 | Very low | 30.5 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | 51.6 | 137.1 | 140.8 | -64.6 | -176.3 | 175.7 | -179.2 | 0 | 121.5 | | |
| 355 | Q | 26.5 | Very low | 30.2 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | trans | 70.5 | 146.8 | 151.4 | -105.4 | 160.5 | -64.2 | 0 | 0 | 115.2 | | |
| 356 | Y | 28.1 | Very low | 30.3 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | | | cis | -130.2 | 173.5 | 15.7 | -81.8 | -98.8 | 0 | 0 | 0 | 113 | | |
| 357 | K | 27.3 | Very low | 30.2 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -106.6 | 127.7 | 162.7 | -98.2 | -171.7 | 173.7 | -175 | 0 | 110.1 | | |
| 358 | L | 31.3 | Very low | 30.3 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | | | trans | -145.4 | 125.8 | 159 | -96.4 | 171.4 | 0 | 0 | 0 | 108.3 | | |
| 359 | P | 28.9 | Very low | 30 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | | | trans | -110.5 | 135.1 | 177.3 | 36 | -26.9 | 0 | 0 | 0 | 112.5 | | |
| 360 | H | 28.5 | Very low | 30.3 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | -174.9 | 139.4 | 140 | -118.8 | -117.4 | 0 | 0 | 0 | 111.6 | | |
| 361 | V | 30.1 | Very low | 30 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | | | | 46.5 | 134.8 | 127 | 166.8 | 0 | 0 | 0 | 0 | 119 | | |
| 362 | D | 31.3 | Very low | 30 | Very low | 135 Ų | 135 | 143 Ų | 143 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | cis | -169.9 | -170.7 | -10.1 | -103.7 | -17.1 | 0 | 0 | 0 | 107.6 | | |
| 363 | S | 31.6 | Very low | 29.8 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 87.9 | 104.2 | 168.9 | -45.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 364 | N | 29.1 | Very low | 30 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | | 93.5 | 136.9 | 55.1 | -78.1 | -29.3 | 0 | 0 | 0 | 112 | | |
| 365 | N | 30.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | | | trans | 69 | 108.1 | 164.9 | -65.9 | -5.6 | 0 | 0 | 0 | 115.9 | | |
| 366 | Q | 30.7 | Very low | 30.3 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | | | | 96.3 | 174.7 | 69 | -86.7 | -179.4 | 62.1 | 0 | 0 | 110.4 | | |
| 367 | L | 31.4 | Very low | 30.5 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | 70.8 | 91.9 | -163.1 | -47.1 | 177.7 | 0 | 0 | 0 | 109.9 | | |
| 368 | I | 29.9 | Very low | 30.9 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | | 60.9 | 91.8 | 59.6 | -47.7 | 169.9 | 0 | 0 | 0 | 110.7 | | |
| 369 | E | 29.5 | Very low | 30.8 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -131.9 | 130.1 | 158.4 | -84 | -148.1 | 131.8 | 0 | 0 | 111 | | |
| 370 | N | 33 | Very low | 30.7 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | 64.4 | 74.6 | 140 | -52.8 | -27.1 | 0 | 0 | 0 | 117.9 | T372 | N370-T372 PolarHBondContact O-N 3.26Š|
| 371 | V | 29.6 | Very low | 30.7 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | -55.4 | 115.6 | 151.9 | 175 | 0 | 0 | 0 | 0 | 109.1 | L373 | V371-L373 HydrophobicContact CG1-CD2 4.45Å; V371-L373 HydrophobicContact CG1-CG 4.37Å; V371-L373 PolarHBondContact O-N 3.06Å |
| 372 | T | 33.7 | Very low | 30.6 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | -83.8 | 109 | 166.6 | -57.4 | 0 | 0 | 0 | 0 | 108.9 | N370 | N370-T372 PolarHBondContact O-N 3.26Š|
| 373 | L | 26.4 | Very low | 30.5 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -80 | 127 | 168.4 | -70 | 164.9 | 0 | 0 | 0 | 109.3 | V371 | V371-L373 HydrophobicContact CG1-CD2 4.45Å; V371-L373 HydrophobicContact CG1-CG 4.37Å; V371-L373 PolarHBondContact O-N 3.06Å |
| 374 | E | 32.4 | Very low | 30.4 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -154.6 | 116.3 | 145.5 | -90.8 | -134.1 | 174.9 | 0 | 0 | 112 | | |
| 375 | T | 31.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 155.7 Ų | 155.7 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -141.4 | 155.8 | 153.4 | 57.6 | 0 | 0 | 0 | 0 | 105.6 | | |
| 376 | P | 32 | Very low | 30.4 | Very low | 116 Ų | 116 | 160 Ų | 160 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | cis | -133.9 | -180 | 13.6 | 42.8 | -28.1 | 0 | 0 | 0 | 114.5 | | |
| 377 | R | 31.5 | Very low | 30.3 | Very low | 234 Ų | 234 | 157.7 Ų | 157.7 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | -171.4 | 153.7 | 135.4 | -113.1 | 168.7 | 179.8 | 161.7 | 2.3 | 117 | | |
| 378 | I | 36 | Very low | 30.4 | Very low | 158 Ų | 158 | 160.1 Ų | 160.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | 75 | 123.1 | 157.1 | -64.5 | 162.1 | 0 | 0 | 0 | 118.1 | | |
| 379 | E | 29.5 | Very low | 30.3 | Very low | 171 Ų | 171 | 160.6 Ų | 160.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | trans | -91.8 | 173 | -174.7 | -46.7 | 173.9 | 105.8 | 0 | 0 | 113.8 | | |
| 380 | S | 26.6 | Very low | 30.6 | Very low | 83 Ų | 83 | 161.7 Ų | 161.7 | 58% | 0.58 | 80% | 0.804 | S | S | * | * | | | trans | 49.6 | 100.2 | 136 | -68.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 381 | K | 27.7 | Very low | 30.4 | Very low | 198 Ų | 198 | 162.4 Ų | 162.4 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | | 46.3 | 128.8 | 116.6 | -58.7 | 160.4 | -177.4 | 163.5 | 0 | 118.4 | | |
| 382 | K | 29 | Very low | 30.5 | Very low | 198 Ų | 198 | 163.5 Ų | 163.5 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | | 145.9 | 97 | 107.6 | -168.4 | 173.8 | -175 | -178.1 | 0 | 115 | | |
| 383 | L | 28.9 | Very low | 30.4 | Very low | 140 Ų | 140 | 166.4 Ų | 166.4 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | | | trans | 49.7 | 108.9 | 131.4 | -165.3 | 141.8 | 0 | 0 | 0 | 119.2 | R385 | L383-R385 HydrophobicContact CD2-CG 4.35Š|
| 384 | T | 29.8 | Very low | 30.5 | Very low | 144 Ų | 144 | 168.2 Ų | 168.2 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -118.1 | 124.1 | 154.7 | 43.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 385 | R | 27.3 | Very low | 30.5 | Very low | 212 Ų | 212 | 165.5 Ų | 165.5 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | -79.5 | 143.7 | 169.2 | -74 | 171 | 164.5 | 158.6 | -7.9 | 109.4 | L383 | L383-R385 HydrophobicContact CD2-CG 4.35Š|
| 386 | K | 33.1 | Very low | 30.3 | Very low | 217 Ų | 217 | 167.1 Ų | 167.1 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | | | trans | -115.5 | 95.4 | 150.5 | -83.4 | -169.6 | 174.7 | 178.6 | 0 | 110.7 | | |
| 387 | T | 28.4 | Very low | 30 | Very low | 104 Ų | 104 | 166.4 Ų | 166.4 | 64% | 0.638 | 79% | 0.794 | S | S | * | * | | | trans | -58.4 | 141.6 | 172.1 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | M389 | T387-M389 HydrophobicContact CG2-CG 4.07Š|
| 388 | K | 32.1 | Very low | 29.7 | Very low | 207 Ų | 207 | 163.6 Ų | 163.6 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | | | trans | -125 | 104.1 | 149.6 | -84.5 | -168.1 | 173.1 | -175.9 | 0 | 109 | | |
| 389 | M | 29 | Very low | 29.3 | Very low | 160 Ų | 160 | 160.3 Ų | 160.3 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | | | trans | -77.7 | 135 | 159 | -72 | -170.1 | -74 | 0 | 0 | 107.8 | T387 | T387-M389 HydrophobicContact CG2-CG 4.07Š|
| 390 | H | 34.8 | Very low | 29.1 | Very low | 190 Ų | 190 | 158.9 Ų | 158.9 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | | | trans | -145.5 | 128.6 | 150 | -111.7 | -81.9 | 0 | 0 | 0 | 108.4 | | |
| 391 | N | 29.4 | Very low | 29 | Very low | 139 Ų | 139 | 162.5 Ų | 162.5 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | -87.2 | 143.4 | -175.8 | -90.9 | -37.7 | 0 | 0 | 0 | 112.2 | | |
| 392 | L | 32 | Very low | 29.1 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | 14.7 | 113 | 137.9 | -68.8 | 155.5 | 0 | 0 | 0 | 117.4 | | |
| 393 | K | 31.9 | Very low | 29 | Very low | 194 Ų | 194 | 153 Ų | 153 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | | | trans | -95.8 | 132.6 | 131.3 | -64.1 | -175 | 176.7 | -177.8 | 0 | 105.9 | | |
| 394 | K | 28.4 | Very low | 29 | Very low | 188 Ų | 188 | 152.1 Ų | 152.1 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | | | | 48.3 | 86.8 | 66.1 | -80.9 | -158.7 | 171.2 | -165.2 | 0 | 112.5 | | |
| 395 | N | 31.3 | Very low | 28.8 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | | -154.6 | 140.4 | 95.3 | -79.3 | -8.3 | 0 | 0 | 0 | 106.5 | | |
| 396 | E | 27.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | | | cis | 74.8 | 154.5 | 48.8 | -163.2 | 176.6 | -100.6 | 0 | 0 | 112.2 | | |
| 397 | V | 26.9 | Very low | 28.5 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 61% | 0.606 | 71% | 0.705 | S | S | * | * | | | trans | 89.8 | 89.7 | 172.2 | -168.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 398 | K | 24.4 | Very low | 28.7 | Very low | 175 Ų | 175 | 140 Ų | 140 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | | | trans | 74.2 | 155.2 | 135.7 | -62.7 | 177.9 | -179.9 | -175.4 | 0 | 118.4 | | |
| 399 | E | 27.2 | Very low | 28.5 | Very low | 90 Ų | 90 | 136 Ų | 136 | 42% | 0.421 | 68% | 0.684 | S | S | . | * | | | cis | -153.5 | 178 | -8.7 | -127.5 | 167 | -139.5 | 0 | 0 | 113.4 | I1163 | E399-I1163 CarbonylContact O-C 3.41Š|
| 400 | K | 25.3 | Very low | 28.5 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 61% | 0.609 | 68% | 0.677 | S | S | * | * | | | trans | 51.5 | 88.6 | 151.4 | -69.8 | 159.2 | 179.6 | 142.4 | 0 | 118.5 | I1163 G1164 | K400-I1163 CarbonylContact O-C 3.51Å; K400-G1164 VanDerWaalsContact C-CA 3.46Å; K400-G1164 VanDerWaalsContact O-CA 3.22Å; K400-G1164 WeakPolarHBondContact O-CA 3.12Å; K400-G1164 PolarHBondContact O-N 3.03Å |
| 401 | K | 25.5 | Very low | 28.2 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | | | | 36.9 | 131.4 | 103.6 | -60.6 | 177 | 179.1 | 178.8 | 0 | 115.8 | G1164 | K401-G1164 CarbonylContact C-O 3.48Å; K401-G1164 WeakPolarHBondContact CA-O 3.05Å; K401-G1164 PolarHBondContact N-O 3.28Å |
| 402 | V | 30.4 | Very low | 28 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | | | cis | -163.9 | 160.4 | 21.6 | 99 | 0 | 0 | 0 | 0 | 112.6 | G1164 | V402-G1164 PolarHBondContact N-O 3.38Š|
| 403 | K | 26.5 | Very low | 27.7 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 44% | 0.439 | 67% | 0.665 | S | S | . | * | | | trans | -15.9 | 155.4 | 142.9 | -57.6 | 153.7 | 174.9 | 167.9 | 0 | 112.6 | S1166 F1167 S1168 | K403-S1166 VanDerWaalsContact CE-OG 3.31Å; K403-S1166 WeakPolarHBondContact CE-OG 3.1Å; K403-S1166 PolarHBondContact NZ-OG 2.95Å; K403-F1167 PolarHBondContact NZ-O 3.44Å; K403-S1168 PolarHBondContact NZ-OG 2.97Å |
| 404 | T | 27.8 | Very low | 27.7 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | | | | -173.1 | 115.4 | 62.4 | -53.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 405 | S | 25.2 | Very low | 27.8 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 57% | 0.573 | 67% | 0.672 | S | S | * | * | | | trans | -45.4 | 149.9 | 160.2 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 406 | K | 25.5 | Very low | 27.6 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 85% | 0.852 | 67% | 0.668 | S | S | * | * | | | trans | 64 | 125.7 | 157.8 | -52 | 150.5 | -176.4 | -179.1 | 0 | 114.3 | | |
| 407 | G | 28.6 | Very low | 27.8 | Very low | 59 Ų | 59 | 134.2 Ų | 134.2 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | | | cis | 169.8 | -136.6 | 11 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 408 | V | 34.6 | Very low | 27.9 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 52% | 0.521 | 67% | 0.668 | S | S | . | * | | | cis | 55.8 | 69.1 | 13 | -156.8 | 0 | 0 | 0 | 0 | 111.2 | Y109 | Y109-V408 HydrophobicContact CE1-CG2 3.91Š|
| 409 | Q | 27.7 | Very low | 28.1 | Very low | 123 Ų | 123 | 138 Ų | 138 | 58% | 0.575 | 67% | 0.674 | S | S | * | * | | | cis | -117.9 | 177.9 | 12.6 | -89.5 | -174.3 | -0.4 | 0 | 0 | 110.3 | | |
| 410 | K | 27.7 | Very low | 28.6 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | | | cis | -154.4 | 139.4 | 3.3 | -130.4 | 167.1 | 178.7 | 150.6 | 0 | 110.7 | | |
| 411 | E | 27.9 | Very low | 29.1 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 70% | 0.696 | 70% | 0.7 | S | S | * | * | | | | 41.2 | 100.2 | 124 | -167.3 | 174 | -157.8 | 0 | 0 | 120.7 | | |
| 412 | K | 26.1 | Very low | 29.2 | Very low | 201 Ų | 201 | 138.3 Ų | 138.3 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | | | | -134.9 | 110.2 | 123.5 | -76.4 | -164.9 | 177.2 | 178.3 | 0 | 107.4 | | |
| 413 | S | 26.2 | Very low | 28.9 | Very low | 89 Ų | 89 | 140 Ų | 140 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | | | | 68.1 | 69.1 | 73.7 | 75.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 414 | R | 30.5 | Very low | 29 | Very low | 248 Ų | 248 | 138.7 Ų | 138.7 | 94% | 0.936 | 73% | 0.732 | S | S | * | * | | | trans | -158.8 | 94.5 | 137.2 | -105.1 | 156.6 | -164.7 | -166.2 | 2.4 | 111.8 | | |
| 415 | K | 30.4 | Very low | 29.2 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 74% | 0.738 | S | S | * | * | | | trans | -48.8 | 151.2 | 135.2 | -83.2 | 178.9 | -180 | 176.9 | 0 | 108.1 | | |
| 416 | P | 29.1 | Very low | 29.4 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | | | cis | -143.8 | -178.6 | 47.8 | 44 | -26.7 | 0 | 0 | 0 | 117 | | |
| 417 | E | 31 | Very low | 29.8 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | | | trans | 66.9 | 153 | 151 | -77.2 | 144.8 | -125.3 | 0 | 0 | 119.8 | | |
| 418 | N | 28.7 | Very low | 30.4 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | | | cis | 177.1 | 127.5 | -39.2 | -110.3 | -28.2 | 0 | 0 | 0 | 105.4 | | |
| 419 | R | 27.6 | Very low | 30.6 | Very low | 233 Ų | 233 | 139.4 Ų | 139.4 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | 68 | 146.5 | 175.7 | -46.8 | 155 | -176.2 | -168.3 | -1.1 | 110.5 | | |
| 420 | L | 39.1 | Very low | 31.1 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 89% | 0.89 | 71% | 0.711 | S | S | * | * | | | cis | -109.4 | 165.7 | 22.4 | -64.3 | 166.1 | 0 | 0 | 0 | 114.5 | | |
| 421 | G | 35.7 | Very low | 31.9 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | | | | 34.6 | 99.7 | 125.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 422 | L | 26.8 | Very low | 32.6 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | | | cis | 44.1 | 117.3 | 46.7 | -84.2 | 179.7 | 0 | 0 | 0 | 114.4 | | |
| 423 | T | 24 | Very low | 33.2 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | | | trans | 56.3 | 120.9 | 154.8 | 58.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 424 | G | 29.2 | Very low | 33.8 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | | | cis | 133.9 | -152.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 425 | K | 31.4 | Very low | 34.2 | Very low | 197 Ų | 197 | 122.8 Ų | 122.8 | 86% | 0.857 | 70% | 0.696 | S | S | * | * | | | trans | 68 | 82.7 | 178.3 | -63.3 | -176.9 | 179.3 | 176.7 | 0 | 116.5 | | |
| 426 | V | 28.9 | Very low | 34.3 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 75% | 0.745 | 69% | 0.69 | S | S | * | * | | | | -14.3 | 130.7 | 121.5 | 178.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 427 | C | 35.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 119.7 Ų | 119.7 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | | | trans | -137.3 | 116.4 | 144.8 | -93.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 428 | S | 41.4 | Very low | 35 | Very low | 60 Ų | 60 | 121.6 Ų | 121.6 | 42% | 0.42 | 71% | 0.705 | S | S | . | * | | | trans | -84.5 | 172.8 | 171 | -73.3 | 0 | 0 | 0 | 0 | 110.7 | Y231 | Y231-S428 WeakPolarHBondContact CB-O 3.44Å; Y231-S428 WeakPolarHBondContact CD2-O 3.4Å |
| 429 | P | 37.2 | Very low | 35.4 | Very low | 65 Ų | 65 | 125.6 Ų | 125.6 | 42% | 0.422 | 72% | 0.717 | S | S | . | * | | | trans | -96.2 | 152.4 | -179.3 | 34.6 | -31.8 | 0 | 0 | 0 | 114.1 | Y231 D232 R233 | Y231-P429 VanDerWaalsContact CD2-C 3.43Å; D232-P429 WeakPolarHBondContact OD1-CB 3.25Å; R233-P429 HydrophobicContact CG-CB 4Å |
| 430 | D | 38.7 | Very low | 35.7 | Very low | 40 Ų | 40 | 124 Ų | 124 | 21% | 0.214 | 72% | 0.716 | C | S | . | * | | | trans | -109.2 | 159.1 | -168 | -133.7 | -47.9 | 0 | 0 | 0 | 115.4 | K230 Y231 | K230-D430 VanDerWaalsContact CA-OD2 3.23Å; K230-D430 WeakPolarHBondContact CA-OD2 3.21Å; K230-D430 HydrophobicContact CB-CB 4.01Å; K230-D430 WeakPolarHBondContact CB-OD2 3.23Å; K230-D430 HydrophobicContact CD-CB 4.09Å; K230-D430 VanDerWaalsContact CD-CG 3.41Å; K230-D430 WeakPolarHBondContact CD-OD1 3.31Å; K230-D430 WeakPolarHBondContact CE-OD1 3.14Å; K230-D430 HydrophobicContact CG-CB 4.22Å; K230-D430 WeakPolarHBondContact CG-OD2 3.4Å; K230-D430 IonicContact NZ-OD1 3.28Å; Y231-D430 HydrophobicContact CD2-CB 3.4Å; Y231-D430 VanDerWaalsContact CD2-CB 3.4Å; Y231-D430 WeakPolarHBondContact CD2-OD2 3.44Å; Y231-D430 HydrophobicContact CE2-CB 4.34Å; Y231-D430 HydrophobicContact CG-CB 4Å; Y231-D430 PolarHBondContact N-OD2 3.13Å; Y231-D430 WeakPolarHBondContact O-CB 3.14Å |
| 431 | V | 45.5 | Very low | 35.3 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | | | trans | -124 | 83.7 | -169.4 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | K230 V433 | K230-V431 PolarHBondContact NZ-O 3.3Å; V431-V433 HydrophobicContact CG1-CG2 3.74Å; V431-V433 PolarHBondContact O-N 2.94Å |
| 432 | D | 41.1 | Very low | 35.3 | Very low | 123 Ų | 123 | 129 Ų | 129 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | | | trans | -81.6 | 69.2 | 174.2 | -132.1 | 4.2 | 0 | 0 | 0 | 112.5 | K230 S434 | K230-D432 HydrophobicContact CD-CB 3.95Å; K230-D432 WeakPolarHBondContact CD-OD1 3.32Å; K230-D432 IonicContact NZ-OD1 3.99Å; K230-D432 PolarHBondContact NZ-OD1 2.88Å; D432-S434 PolarHBondContact O-N 2.89Å |
| 433 | V | 39.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | | | trans | -80.3 | 99.7 | 165.5 | 174.5 | 0 | 0 | 0 | 0 | 108.4 | V431 V435 | V431-V433 HydrophobicContact CG1-CG2 3.74Å; V431-V433 PolarHBondContact O-N 2.94Å; V433-V435 HydrophobicContact CG1-CG2 4.37Å |
| 434 | S | 38.4 | Very low | 35.7 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | | | trans | -85.9 | 133.7 | 171.7 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | D432 | D432-S434 PolarHBondContact O-N 2.89Š|
| 435 | V | 40.3 | Very low | 35.6 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | | | trans | -133.5 | 126.7 | 168.1 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | V433 S437 | V433-V435 HydrophobicContact CG1-CG2 4.37Å; V435-S437 PolarHBondContact O-N 2.92Å |
| 436 | P | 32.3 | Very low | 35.8 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 126.9 | -163.6 | 28.8 | -35.3 | 0 | 0 | 0 | 113.5 | | |
| 437 | S | 39.7 | Very low | 36.1 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 132.1 | 163.3 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | V435 K439 | V435-S437 PolarHBondContact O-N 2.92Å; S437-K439 PolarHBondContact O-N 3.38Å |
| 438 | K | 35.2 | Very low | 35.9 | Very low | 200 Ų | 200 | 134.5 Ų | 134.5 | 87% | 0.87 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 122 | -171.1 | -63.9 | 172.6 | -177.2 | 175 | 0 | 110.3 | K440 | K438-K440 PolarHBondContact O-N 3.47Š|
| 439 | K | 36.5 | Very low | 35.5 | Very low | 208 Ų | 208 | 135.3 Ų | 135.3 | 90% | 0.904 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 123.1 | 172.3 | -74 | -175.1 | 177.2 | 179.5 | 0 | 109.6 | S437 | S437-K439 PolarHBondContact O-N 3.38Š|
| 440 | K | 33.2 | Very low | 35.2 | Very low | 199 Ų | 199 | 142 Ų | 142 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 122.9 | -172.1 | -157.6 | 171.5 | -173.3 | 175.9 | 0 | 109.6 | K438 T442 | K438-K440 PolarHBondContact O-N 3.47Å; K440-T442 PolarHBondContact O-N 3.47Å |
| 441 | F | 31.9 | Very low | 34.9 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 131.9 | 172.8 | -102.4 | -107.6 | 0 | 0 | 0 | 110.2 | | |
| 442 | T | 35.1 | Very low | 34.1 | Very low | 138 Ų | 138 | 150 Ų | 150 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 123.1 | 172.3 | 41 | 0 | 0 | 0 | 0 | 109.9 | K440 | K440-T442 PolarHBondContact O-N 3.47Š|
| 443 | F | 27.8 | Very low | 33.7 | Very low | 208 Ų | 208 | 154.2 Ų | 154.2 | 91% | 0.912 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 136.8 | 170.9 | -173.6 | -99.4 | 0 | 0 | 0 | 109.5 | | |
| 444 | G | 32.2 | Very low | 33.4 | Very low | 60 Ų | 60 | 158.8 Ų | 158.8 | 62% | 0.619 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 144.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 445 | W | 26.6 | Very low | 33.1 | Very low | 253 Ų | 253 | 159.4 Ų | 159.4 | 96% | 0.958 | 83% | 0.833 | S | S | * | * | | | trans | -149.1 | 142.1 | 159 | -167.3 | -86.8 | 0 | 0 | 0 | 107.7 | | |
| 446 | G | 35.2 | Very low | 33 | Very low | 54 Ų | 54 | 163.4 Ų | 163.4 | 56% | 0.557 | 84% | 0.84 | S | S | * | * | | | cis | 169.4 | 26.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 447 | S | 34.7 | Very low | 33.3 | Very low | 127 Ų | 127 | 165.4 Ų | 165.4 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | | | trans | -91.5 | 142.2 | -166.8 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 448 | K | 32.1 | Very low | 32.9 | Very low | 212 Ų | 212 | 165.1 Ų | 165.1 | 92% | 0.922 | 84% | 0.839 | S | S | * | * | | | trans | -124 | 95.2 | -153.3 | -174.6 | 177.6 | -177.9 | 176.8 | 0 | 111.5 | | |
| 449 | G | 33.5 | Very low | 33 | Very low | 77 Ų | 77 | 162.6 Ų | 162.6 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | | | trans | -143.4 | 94.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 450 | K | 30.1 | Very low | 32.7 | Very low | 206 Ų | 206 | 159 Ų | 159 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | | | trans | -34.9 | 127.8 | 176 | -56 | 166.9 | -179.5 | 176 | 0 | 117.3 | | |
| 451 | K | 31.4 | Very low | 33 | Very low | 217 Ų | 217 | 155.4 Ų | 155.4 | 94% | 0.943 | 84% | 0.835 | S | S | * | * | | | | -167.4 | 162.2 | 127.3 | -104.6 | 163.8 | -173.1 | 177.8 | 0 | 110.4 | | |
| 452 | A | 29 | Very low | 33.1 | Very low | 92 Ų | 92 | 149 Ų | 149 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | | | trans | -140.8 | 176.3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 453 | K | 33.4 | Very low | 33.1 | Very low | 211 Ų | 211 | 149.9 Ų | 149.9 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | | | trans | 76 | 134.3 | -169.1 | -50.9 | 174.3 | -178.2 | 179.8 | 0 | 111 | | |
| 454 | K | 32.7 | Very low | 33.7 | Very low | 207 Ų | 207 | 146.7 Ų | 146.7 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | | | cis | -143.9 | 147.5 | 37.8 | -164.4 | 174 | -173.3 | 175.9 | 0 | 112.2 | | |
| 455 | V | 31.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 73% | 0.733 | 84% | 0.835 | S | S | * | * | | | trans | -89.6 | 139.9 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 456 | K | 39.1 | Very low | 34.3 | Very low | 209 Ų | 209 | 144.2 Ų | 144.2 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | | | trans | -160.8 | 160.3 | 138.9 | -107 | 171.8 | -176.1 | -169.4 | 0 | 109.9 | | |
| 457 | L | 37.6 | Very low | 34.2 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | | | trans | -106.6 | 160.2 | -153.1 | -74.5 | 161.9 | 0 | 0 | 0 | 114.1 | | |
| 458 | P | 31.9 | Very low | 34.4 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 71% | 0.714 | 84% | 0.841 | S | S | * | * | | | trans | -81.2 | 167.1 | 175.9 | 35.3 | -36.7 | 0 | 0 | 0 | 112.9 | | |
| 459 | T | 38.3 | Very low | 34.6 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 91% | 0.908 | 84% | 0.836 | S | S | * | * | | | trans | -127.6 | 143.2 | 169.9 | -14.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 460 | V | 30.6 | Very low | 35.2 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | | | trans | -138.1 | 127.6 | -169.5 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 461 | S | 38 | Very low | 35.4 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | | | trans | 172.6 | 139.9 | 159.4 | 48.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 462 | G | 33.7 | Very low | 35.5 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | cis | -170 | 164 | -6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 463 | D | 36.3 | Very low | 35.9 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | | | trans | -86.7 | 155 | -167.5 | -47.2 | -81 | 0 | 0 | 0 | 113.9 | | |
| 464 | V | 39.2 | Very low | 36.5 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -141.2 | 97.7 | 168.1 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 465 | D | 34.9 | Very low | 36.7 | Very low | 163 Ų | 163 | 131 Ų | 131 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -102.5 | 121.8 | 170.8 | -77.3 | -53.1 | 0 | 0 | 0 | 110.5 | | |
| 466 | A | 37.1 | Very low | 37.9 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -155.5 | 107.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 467 | G | 33.4 | Very low | 37.8 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -73.8 | -177.6 | -161.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 468 | L | 39.5 | Very low | 37.8 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -157.7 | 111.9 | 134.1 | -178.3 | 57.2 | 0 | 0 | 0 | 109 | V470 | L468-V470 HydrophobicContact CD1-CG2 4.26Å; L468-V470 HydrophobicContact CD2-CG2 4.35Å; L468-V470 HydrophobicContact CG-CG2 3.96Å |
| 469 | D | 36 | Very low | 38.4 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -97.2 | 131.6 | 173.1 | -175 | 14.7 | 0 | 0 | 0 | 109.6 | | |
| 470 | V | 46 | Very low | 38.1 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | | | trans | -138.8 | 99.6 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | L468 | L468-V470 HydrophobicContact CD1-CG2 4.26Å; L468-V470 HydrophobicContact CD2-CG2 4.35Å; L468-V470 HydrophobicContact CG-CG2 3.96Å |
| 471 | G | 33.1 | Very low | 38.8 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | -66.9 | 140.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 472 | G | 35.4 | Very low | 38.6 | Very low | 71 Ų | 71 | 127.1 Ų | 127.1 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | -144.5 | 64.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V474 | G472-V474 PolarHBondContact O-N 3.04Š|
| 473 | K | 37 | Very low | 38.9 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -70.1 | 126.6 | 169.2 | -73.1 | -171.1 | 177.7 | -174.5 | 0 | 109.7 | | |
| 474 | V | 45.9 | Very low | 38.7 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -132.9 | 89.8 | 170 | -179 | 0 | 0 | 0 | 0 | 108 | G472 V476 | G472-V474 PolarHBondContact O-N 3.04Å; V474-V476 HydrophobicContact CG1-CG2 4.08Å |
| 475 | D | 36.6 | Very low | 38.7 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | -77.7 | 126.2 | 170.6 | -66.9 | -75.2 | 0 | 0 | 0 | 109.5 | | |
| 476 | V | 55.9 | Low | 38.4 | Very low | 124 Ų | 124 | 123 Ų | 123 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | -127.7 | 125.4 | 172.4 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | V474 | V474-V476 HydrophobicContact CG1-CG2 4.08Š|
| 477 | P | 38.4 | Very low | 38.2 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -78.5 | 149.2 | -167.1 | -16.9 | 32.4 | 0 | 0 | 0 | 115.6 | V479 | P477-V479 PolarHBondContact O-N 3.07Š|
| 478 | S | 37.3 | Very low | 38.5 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -12.1 | 104.5 | 160.1 | -51.8 | 0 | 0 | 0 | 0 | 117.7 | K480 | S478-K480 PolarHBondContact O-N 2.91Š|
| 479 | V | 43 | Very low | 38.4 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -78.1 | 113.5 | 157.6 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | P477 V481 | P477-V479 PolarHBondContact O-N 3.07Å; V479-V481 HydrophobicContact CG1-CG2 4.05Å |
| 480 | K | 33.6 | Very low | 38.4 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | -77.6 | 135.6 | 167.4 | -64.9 | -179.7 | 179.7 | -179.4 | 0 | 109.3 | S478 | S478-K480 PolarHBondContact O-N 2.91Š|
| 481 | V | 45.5 | Very low | 37.9 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | -131.7 | 83.3 | 168.1 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | V479 V483 | V479-V481 HydrophobicContact CG1-CG2 4.05Å; V481-V483 HydrophobicContact CG1-CG2 3.93Å; V481-V483 PolarHBondContact O-N 3.18Å |
| 482 | D | 32.6 | Very low | 38.2 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -76 | 105 | 170.9 | -60.8 | -69.5 | 0 | 0 | 0 | 108.2 | | |
| 483 | V | 41 | Very low | 38.2 | Very low | 115 Ų | 115 | 143 Ų | 143 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | | | trans | -112.4 | 101 | 169.7 | 170.5 | 0 | 0 | 0 | 0 | 108 | V481 | V481-V483 HydrophobicContact CG1-CG2 3.93Å; V481-V483 PolarHBondContact O-N 3.18Å |
| 484 | D | 32 | Very low | 38.2 | Very low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -74.2 | 130.4 | 172.1 | -171.4 | 13 | 0 | 0 | 0 | 109.9 | | |
| 485 | S | 37.9 | Very low | 38.1 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -166.6 | 94.1 | 179.2 | -78.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 486 | G | 29.6 | Very low | 38.3 | Very low | 67 Ų | 67 | 146.4 Ų | 146.4 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | -77.3 | -169.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 487 | D | 33.7 | Very low | 37.5 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | 54.2 | 85.4 | 165.8 | -69.8 | -15.4 | 0 | 0 | 0 | 119.2 | | |
| 488 | R | 39.7 | Very low | 37.5 | Very low | 252 Ų | 252 | 144.2 Ų | 144.2 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | | | | -153.3 | 89.6 | 124.9 | -103.5 | 139.7 | -157.9 | -131.8 | 2.2 | 113 | K490 | R488-K490 PolarHBondContact O-N 2.77Å; R488-K490 VanDerWaalsContact O-N 3.13Å |
| 489 | V | 35.8 | Very low | 37.7 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -68.5 | 105.6 | 168.9 | -177.9 | 0 | 0 | 0 | 0 | 110 | | |
| 490 | K | 35.8 | Very low | 37.7 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | | | trans | -124.7 | 109.8 | 154.9 | -86 | -171.1 | 173.2 | -179 | 0 | 108.7 | R488 K492 | R488-K490 PolarHBondContact O-N 2.77Å; R488-K490 VanDerWaalsContact O-N 3.13Å; K490-K492 PolarHBondContact O-N 3.39Å |
| 491 | G | 37.1 | Very low | 38.1 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | trans | -65.9 | 128.2 | -161.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 492 | K | 38.2 | Very low | 38.3 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | | | trans | -94 | 122.5 | 152.5 | -73.1 | -173.2 | 176.5 | -179.9 | 0 | 108.1 | K490 F494 | K490-K492 PolarHBondContact O-N 3.39Å; K492-F494 PolarHBondContact O-N 2.84Å |
| 493 | K | 36.8 | Very low | 39 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 74% | 0.735 | 76% | 0.757 | S | S | * | * | | | trans | -67.8 | 97.7 | -165.3 | 179.9 | 171.3 | 173.3 | 64.5 | 0 | 111.6 | H495 | K493-H495 WeakPolarHBondContact CE-NE2 3.33Å; K493-H495 VanDerWaalsContact CG-CD2 3.48Å; K493-H495 WeakPolarHBondContact CG-CD2 3.47Å; K493-H495 PolarHBondContact NZ-NE2 2.89Å; K493-H495 PolarHBondContact O-N 3.2Å |
| 494 | F | 36.7 | Very low | 39.4 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -65.7 | 92.5 | 170.6 | -96 | -101.1 | 0 | 0 | 0 | 110.4 | K492 | K492-F494 PolarHBondContact O-N 2.84Š|
| 495 | H | 43.5 | Very low | 39.7 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | -103.5 | 89.1 | 160.6 | -86.6 | -124.3 | 0 | 0 | 0 | 108.4 | K493 | K493-H495 WeakPolarHBondContact CE-NE2 3.33Å; K493-H495 VanDerWaalsContact CG-CD2 3.48Å; K493-H495 WeakPolarHBondContact CG-CD2 3.47Å; K493-H495 PolarHBondContact NZ-NE2 2.89Å; K493-H495 PolarHBondContact O-N 3.2Å |
| 496 | W | 40.2 | Very low | 40.1 | Very low | 199 Ų | 199 | 149.6 Ų | 149.6 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -69.8 | 133.6 | 165 | 63.7 | -70.5 | 0 | 0 | 0 | 108.6 | P498 | W496-P498 HydrophobicContact CE3-CB 3.99Å; W496-P498 HydrophobicContact CE3-CG 3.95Å; W496-P498 HydrophobicContact CH2-CG 4.36Å; W496-P498 HydrophobicContact CZ3-CB 3.76Å; W496-P498 HydrophobicContact CZ3-CG 3.55Å |
| 497 | S | 39.3 | Very low | 40.7 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -117.5 | 110.3 | 166.1 | -71.3 | 0 | 0 | 0 | 0 | 107.1 | N499 | S497-N499 PolarHBondContact O-N 2.86Š|
| 498 | P | 38.8 | Very low | 40.9 | Very low | 82 Ų | 82 | 153.4 Ų | 153.4 | 53% | 0.532 | 77% | 0.77 | S | S | . | * | | | trans | -73.1 | 92.8 | -176.1 | 29.7 | -34 | 0 | 0 | 0 | 109.8 | W496 I500 | W496-P498 HydrophobicContact CE3-CB 3.99Å; W496-P498 HydrophobicContact CE3-CG 3.95Å; W496-P498 HydrophobicContact CH2-CG 4.36Å; W496-P498 HydrophobicContact CZ3-CB 3.76Å; W496-P498 HydrophobicContact CZ3-CG 3.55Å; P498-I500 HydrophobicContact CB-CG1 4.41Å; P498-I500 PolarHBondContact O-N 2.93Å |
| 499 | N | 42 | Very low | 40.8 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -77.1 | 66.6 | 179 | -164.6 | 10.6 | 0 | 0 | 0 | 111 | S497 T501 | S497-N499 PolarHBondContact O-N 2.86Å; N499-T501 PolarHBondContact O-N 2.61Å; N499-T501 PolarHBondContact O-OG1 3.44Å; N499-T501 PolarHBondContact OD1-OG1 3.32Å |
| 500 | I | 43 | Very low | 41.1 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 68% | 0.677 | 75% | 0.752 | S | S | * | * | | | trans | -65.2 | 85.3 | 176.8 | -68.2 | 177.1 | 0 | 0 | 0 | 108.3 | P498 L502 | P498-I500 HydrophobicContact CB-CG1 4.41Å; P498-I500 PolarHBondContact O-N 2.93Å; I500-L502 VanDerWaalsContact C-N 3.28Å; I500-L502 HydrophobicContact CG2-CD1 4.39Å; I500-L502 HydrophobicContact CG2-CG 3.98Å; I500-L502 PolarHBondContact O-N 3.28Å |
| 501 | T | 42 | Very low | 41.3 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | trans | -84.2 | 75.1 | -177.4 | -54.2 | 0 | 0 | 0 | 0 | 108.2 | N499 P503 | N499-T501 PolarHBondContact O-N 2.61Å; N499-T501 PolarHBondContact O-OG1 3.44Å; N499-T501 PolarHBondContact OD1-OG1 3.32Å; T501-P503 VanDerWaalsContact O-CD 3.25Å; T501-P503 WeakPolarHBondContact O-CD 3.33Å; T501-P503 VanDerWaalsContact O-N 3.14Å |
| 502 | L | 49.2 | Very low | 41.5 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | trans | -60.4 | 114.6 | 177.3 | -80 | 165.7 | 0 | 0 | 0 | 109.7 | I500 K504 | I500-L502 VanDerWaalsContact C-N 3.28Å; I500-L502 HydrophobicContact CG2-CD1 4.39Å; I500-L502 HydrophobicContact CG2-CG 3.98Å; I500-L502 PolarHBondContact O-N 3.28Å; L502-K504 PolarHBondContact O-N 2.84Å |
| 503 | P | 47.4 | Very low | 41.7 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | | | trans | -66.3 | 133.2 | 175.6 | 28.7 | -33.3 | 0 | 0 | 0 | 108.5 | T501 L505 | T501-P503 VanDerWaalsContact O-CD 3.25Å; T501-P503 WeakPolarHBondContact O-CD 3.33Å; T501-P503 VanDerWaalsContact O-N 3.14Å; P503-L505 PolarHBondContact O-N 3.16Å |
| 504 | K | 47.9 | Very low | 41.6 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -62.8 | 112.7 | 179 | -75.6 | -178.3 | 176.8 | 176.7 | 0 | 109.8 | L502 K506 | L502-K504 PolarHBondContact O-N 2.84Å; K504-K506 PolarHBondContact O-N 3.39Å; K504-K506 VanDerWaalsContact O-N 3.12Å |
| 505 | L | 38.9 | Very low | 41.7 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | trans | -49.3 | 113.2 | 179.4 | -177.9 | 67.3 | 0 | 0 | 0 | 110.5 | P503 V507 | P503-L505 PolarHBondContact O-N 3.16Å; L505-V507 HydrophobicContact CD2-CG2 4.16Å; L505-V507 HydrophobicContact CG-CG2 4.21Å; L505-V507 PolarHBondContact O-N 3.07Å; L505-V507 VanDerWaalsContact O-N 3.14Å |
| 506 | K | 46.4 | Very low | 41.5 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | trans | -79.1 | 91.6 | 173 | -70.7 | -176.5 | 178.9 | -179.6 | 0 | 109.2 | K504 H508 | K504-K506 PolarHBondContact O-N 3.39Å; K504-K506 VanDerWaalsContact O-N 3.12Å; K506-H508 PolarHBondContact O-N 2.89Å |
| 507 | V | 42.7 | Very low | 41.4 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | | | trans | -72.8 | 96 | 164.2 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | L505 | L505-V507 HydrophobicContact CD2-CG2 4.16Å; L505-V507 HydrophobicContact CG-CG2 4.21Å; L505-V507 PolarHBondContact O-N 3.07Å; L505-V507 VanDerWaalsContact O-N 3.14Å |
| 508 | H | 37.8 | Very low | 41.6 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -84.5 | 120.4 | 164 | -90.7 | -89.7 | 0 | 0 | 0 | 108.8 | K506 | K506-H508 PolarHBondContact O-N 2.89Š|
| 509 | G | 38 | Very low | 41.5 | Very low | 61 Ų | 61 | 136.8 Ų | 136.8 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | | | trans | -113.3 | 146.8 | 158 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 510 | P | 41.3 | Very low | 41.2 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | trans | -89.2 | 154.5 | -163.6 | -6.9 | 26.7 | 0 | 0 | 0 | 114.1 | V512 | P510-V512 PolarHBondContact O-N 3.01Š|
| 511 | D | 40.4 | Very low | 40.9 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -67.1 | 94.4 | 164.9 | -69.8 | -64.9 | 0 | 0 | 0 | 110.6 | S513 | D511-S513 VanDerWaalsContact C-N 3.29Å; D511-S513 PolarHBondContact O-N 2.58Å; D511-S513 PolarHBondContact O-OG 2.78Å |
| 512 | V | 42.1 | Very low | 40.5 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | -71.4 | 86.4 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | P510 G514 | P510-V512 PolarHBondContact O-N 3.01Å; V512-G514 PolarHBondContact O-N 2.73Å |
| 513 | S | 40.5 | Very low | 40.3 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -78.1 | 47.2 | -178.3 | 37.9 | 0 | 0 | 0 | 0 | 113 | D511 K515 | D511-S513 VanDerWaalsContact C-N 3.29Å; D511-S513 PolarHBondContact O-N 2.58Å; D511-S513 PolarHBondContact O-OG 2.78Å; S513-K515 PolarHBondContact O-N 3.43Å |
| 514 | G | 36.6 | Very low | 39.6 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 85 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V512 L516 | V512-G514 PolarHBondContact O-N 2.73Å; G514-L516 PolarHBondContact O-N 3.02Å; G514-L516 VanDerWaalsContact O-N 3.16Å |
| 515 | K | 38.5 | Very low | 39.7 | Very low | 209 Ų | 209 | 133.7 Ų | 133.7 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -71.8 | 101.8 | 167.4 | -72.6 | -174.9 | 178.8 | -178.3 | 0 | 110 | S513 | S513-K515 PolarHBondContact O-N 3.43Š|
| 516 | L | 38.4 | Very low | 39.5 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | -128.6 | 76.7 | 166.4 | -169.2 | 63.6 | 0 | 0 | 0 | 110.6 | G514 A518 | G514-L516 PolarHBondContact O-N 3.02Å; G514-L516 VanDerWaalsContact O-N 3.16Å; L516-A518 HydrophobicContact CD1-CB 4.22Å |
| 517 | H | 38 | Very low | 39.2 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -83.4 | 116.8 | 150.4 | -85.9 | -95.9 | 0 | 0 | 0 | 107 | | |
| 518 | A | 44.1 | Very low | 38.8 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | -138.9 | 97.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | L516 | L516-A518 HydrophobicContact CD1-CB 4.22Š|
| 519 | D | 36.4 | Very low | 38.6 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -85.3 | 155.4 | -172 | -60.4 | -82.8 | 0 | 0 | 0 | 112.5 | | |
| 520 | A | 35.2 | Very low | 38.5 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | | | trans | 68.9 | 167.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 521 | P | 37.5 | Very low | 38.4 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -120.3 | 170.2 | -4.8 | 39.6 | -26.2 | 0 | 0 | 0 | 115 | | |
| 522 | D | 32.7 | Very low | 38.1 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -63.5 | 144.8 | 172.6 | -57.6 | -88.6 | 0 | 0 | 0 | 113.4 | | |
| 523 | V | 45.4 | Very low | 38.2 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -123.6 | 98.8 | 166 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | V525 | V523-V525 HydrophobicContact CG1-CG2 4.08Š|
| 524 | N | 33.8 | Very low | 37.8 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -86.8 | 115 | 175.1 | 173.9 | 13.1 | 0 | 0 | 0 | 110.1 | | |
| 525 | V | 49.5 | Very low | 37.8 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | -118.9 | 97.8 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 110 | V523 | V523-V525 HydrophobicContact CG1-CG2 4.08Š|
| 526 | N | 34.7 | Very low | 37.5 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | trans | -88.1 | 138.4 | 163.2 | 172.7 | 25.7 | 0 | 0 | 0 | 109.2 | | |
| 527 | V | 39.7 | Very low | 37.1 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | trans | -177.1 | 115.3 | 139 | 142.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 528 | T | 33.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | 16.5 | 134.1 | 138.3 | -45.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 529 | G | 34 | Very low | 36.8 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | 167.9 | 63.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 530 | P | 35.8 | Very low | 37 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | trans | -83.5 | 129.7 | 167.3 | 33.4 | -30.8 | 0 | 0 | 0 | 111.6 | | |
| 531 | S | 40.7 | Very low | 36.9 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -130.3 | 124.3 | 172.3 | -167 | 0 | 0 | 0 | 0 | 110.7 | | |
| 532 | V | 34 | Very low | 36.9 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -108.9 | 134.9 | -180 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | V534 | V532-V534 HydrophobicContact CG1-CG2 4.12Š|
| 533 | K | 42.9 | Very low | 37.2 | Very low | 201 Ų | 201 | 129.6 Ų | 129.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -118 | 142.5 | 166.6 | -75.4 | -173.2 | 174.9 | -178.9 | 0 | 110.1 | | |
| 534 | V | 33.1 | Very low | 36.8 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | | | trans | -121.5 | -164.1 | -167.8 | -145.6 | 0 | 0 | 0 | 0 | 108.5 | V532 | V532-V534 HydrophobicContact CG1-CG2 4.12Š|
| 535 | P | 35.9 | Very low | 37 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | | -121.1 | 177.6 | -112.1 | 42.2 | -27.7 | 0 | 0 | 0 | 117.1 | | |
| 536 | S | 32.5 | Very low | 36.5 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 81.3 | 162.4 | 136.3 | 68.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 537 | V | 29.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | 94.1 | 142.4 | 161.1 | -165 | 0 | 0 | 0 | 0 | 118.3 | | |
| 538 | K | 42.5 | Very low | 36.6 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | 83.6 | 107.2 | -175.1 | -54.5 | 179.4 | -175.6 | 179.6 | 0 | 113.6 | | |
| 539 | A | 32.7 | Very low | 36.8 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | cis | 77.8 | 91.9 | 16.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 540 | S | 41 | Very low | 36.9 | Very low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -161.3 | 117.2 | 161.1 | 55 | 0 | 0 | 0 | 0 | 108.7 | | |
| 541 | G | 33 | Very low | 36.8 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -114.1 | 145.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 542 | H | 38.7 | Very low | 36.5 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | -146.2 | 122.2 | 169.3 | -160.4 | 53 | 0 | 0 | 0 | 109.4 | | |
| 543 | L | 38.8 | Very low | 36.7 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | -125.9 | 128.6 | 173.7 | -70.6 | 172.4 | 0 | 0 | 0 | 107.4 | | |
| 544 | P | 37.2 | Very low | 36.5 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | | | trans | -129.7 | 118.9 | 149.7 | 30.6 | -15.7 | 0 | 0 | 0 | 110.7 | | |
| 545 | T | 36.6 | Very low | 36.8 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -75.4 | 151.2 | 161.2 | 31.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 546 | V | 38.9 | Very low | 36.6 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -130.7 | 133.1 | 170.2 | 178 | 0 | 0 | 0 | 0 | 107.4 | V548 | V546-V548 HydrophobicContact CG1-CG2 4.28Š|
| 547 | D | 37.4 | Very low | 36.6 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | | | trans | -146.7 | 116.2 | -171.2 | 177.1 | 23.7 | 0 | 0 | 0 | 108.7 | | |
| 548 | V | 39.5 | Very low | 37 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 70% | 0.703 | 82% | 0.821 | S | S | * | * | | | trans | -155.8 | 139.4 | -176.2 | -161 | 0 | 0 | 0 | 0 | 112.8 | V546 | V546-V548 HydrophobicContact CG1-CG2 4.28Š|
| 549 | S | 37.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | | | trans | 75.5 | 123.6 | 154.5 | 48 | 0 | 0 | 0 | 0 | 121.9 | | |
| 550 | V | 36.3 | Very low | 37.1 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | | | trans | -154 | 140.4 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 103.8 | | |
| 551 | P | 34.4 | Very low | 36.8 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | cis | -141.2 | -165 | 47.2 | 44.2 | -25.3 | 0 | 0 | 0 | 115.8 | | |
| 552 | D | 33.5 | Very low | 36.8 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | | | trans | -58.1 | 153.2 | 166.8 | -60.4 | -87.6 | 0 | 0 | 0 | 114.8 | | |
| 553 | A | 39.4 | Very low | 36.6 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | -145.4 | 119.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 554 | S | 38.5 | Very low | 36.7 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -89.5 | 129.4 | -172.3 | -42.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 555 | L | 39 | Very low | 36.5 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | | | trans | -156.1 | 87.5 | 171.8 | -142.6 | 107.1 | 0 | 0 | 0 | 114.5 | | |
| 556 | G | 31.5 | Very low | 36.3 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | 73.5 | 158 | 171 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 557 | G | 31.7 | Very low | 36 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | cis | 165.8 | 143.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 558 | D | 39 | Very low | 35.7 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | | | trans | 21.9 | 117.5 | 175.1 | -64.9 | -24.3 | 0 | 0 | 0 | 119.1 | | |
| 559 | L | 34.5 | Very low | 35.4 | Very low | 187 Ų | 187 | 124.9 Ų | 124.9 | 98% | 0.979 | 79% | 0.794 | S | S | * | * | | | cis | 54 | 36.7 | 37.5 | -67.6 | -178.3 | 0 | 0 | 0 | 116.1 | | |
| 560 | S | 42.4 | Very low | 35.5 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -108.5 | 127 | 162.8 | 59 | 0 | 0 | 0 | 0 | 112.3 | | |
| 561 | G | 35.4 | Very low | 35.5 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | 74.7 | 71.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 562 | K | 32.1 | Very low | 35.8 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | | 55 | 116.7 | 89.2 | -71.3 | -169.1 | 173.8 | -176.4 | 0 | 116.5 | | |
| 563 | L | 34.7 | Very low | 35.8 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | | | | 41.7 | 126.5 | 130 | -72.8 | 29.8 | 0 | 0 | 0 | 117.8 | L565 | L563-L565 HydrophobicContact CB-CD1 4.4Å; L563-L565 HydrophobicContact CB-CG 4.1Å; L563-L565 HydrophobicContact CD1-CD2 3.64Å; L563-L565 HydrophobicContact CD1-CG 3.91Å; L563-L565 HydrophobicContact CG-CD1 3.91Å; L563-L565 HydrophobicContact CG-CD2 3.84Å; L563-L565 HydrophobicContact CG-CG 3.63Å |
| 564 | D | 41.4 | Very low | 35.5 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | S | Bend | cis | -90.1 | 118.1 | 16.9 | -56.1 | -54.6 | 0 | 0 | 0 | 113.3 | | |
| 565 | L | 32 | Very low | 35.4 | Very low | 108 Ų | 108 | 125 Ų | 125 | 57% | 0.565 | 80% | 0.796 | S | S | * | * | | | | 68 | 108.3 | 70 | -65.4 | 173 | 0 | 0 | 0 | 114.4 | L563 | L563-L565 HydrophobicContact CB-CD1 4.4Å; L563-L565 HydrophobicContact CB-CG 4.1Å; L563-L565 HydrophobicContact CD1-CD2 3.64Å; L563-L565 HydrophobicContact CD1-CG 3.91Å; L563-L565 HydrophobicContact CG-CD1 3.91Å; L563-L565 HydrophobicContact CG-CD2 3.84Å; L563-L565 HydrophobicContact CG-CG 3.63Å |
| 566 | E | 32.8 | Very low | 35.3 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | cis | -147.5 | 153.7 | -15.3 | -68.9 | -172.2 | 143 | 0 | 0 | 107.7 | | |
| 567 | G | 33.2 | Very low | 35.4 | Very low | 72 Ų | 72 | 126 Ų | 126 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | 108.3 | 60.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 568 | V | 31.6 | Very low | 36.1 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | | | trans | 57.7 | 106.3 | 140.1 | -172.4 | 0 | 0 | 0 | 0 | 120 | | |
| 569 | G | 32.5 | Very low | 36.3 | Very low | 64 Ų | 64 | 130.7 Ų | 130.7 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | -85.3 | 149.4 | 136.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 570 | V | 38.8 | Very low | 36.5 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | | | | 59.6 | 97 | 60.8 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 571 | G | 36.2 | Very low | 36.5 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -150 | 157.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 572 | V | 40.8 | Very low | 36.3 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 92% | 0.915 | 77% | 0.771 | S | S | * | * | | | trans | -133 | 156 | -174.6 | -177 | 0 | 0 | 0 | 0 | 109.5 | | |
| 573 | V | 33.4 | Very low | 36.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | | | trans | -102.4 | 144.6 | -157.2 | 173.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 574 | D | 34.2 | Very low | 36.8 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | 44.9 | 122.5 | 161.4 | -57.9 | -14.9 | 0 | 0 | 0 | 122.1 | | |
| 575 | A | 36.4 | Very low | 36.8 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | | -169.2 | 150.6 | 106.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 576 | D | 37.6 | Very low | 36.8 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 65.8 | 97.8 | 155.8 | -67.3 | -8.8 | 0 | 0 | 0 | 124.9 | | |
| 577 | L | 33.2 | Very low | 36.7 | Very low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | | 77.1 | 132.6 | 118.7 | -61.8 | 176.3 | 0 | 0 | 0 | 123.8 | | |
| 578 | N | 44.9 | Very low | 37.2 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | 104.6 | 118.7 | 150.8 | -54.6 | -57 | 0 | 0 | 0 | 119.8 | | |
| 579 | L | 45.2 | Very low | 37.4 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | trans | -99.4 | 176.7 | 161.4 | -63.6 | 173.1 | 0 | 0 | 0 | 108.1 | | |
| 580 | P | 37.1 | Very low | 37.2 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | cis | -142.8 | -155.9 | 18.3 | 43.3 | -21 | 0 | 0 | 0 | 116.2 | | |
| 581 | D | 42.1 | Very low | 37 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | 83 | 148.8 | 166.6 | -60.2 | -18.9 | 0 | 0 | 0 | 120 | | |
| 582 | L | 32.5 | Very low | 36.6 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | | | cis | -171.3 | 152.8 | -34.1 | -177.1 | 55.5 | 0 | 0 | 0 | 109.6 | | |
| 583 | Q | 42.7 | Very low | 36.6 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | 67.1 | 130.1 | 174.1 | -74.8 | 150.8 | 76 | 0 | 0 | 116.3 | | |
| 584 | I | 34.1 | Very low | 36.4 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | | | cis | 105.9 | 99.1 | 16.5 | -60.9 | 168.1 | 0 | 0 | 0 | 115 | | |
| 585 | S | 40.7 | Very low | 36.4 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -169.2 | 144.7 | 150.4 | 60.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 586 | G | 33.2 | Very low | 36.3 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | cis | 172.4 | 52.3 | 4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 587 | N | 31.5 | Very low | 36.2 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 32 | 115.2 | 150.5 | -177.8 | 33.5 | 0 | 0 | 0 | 121.1 | | |
| 588 | V | 43 | Very low | 36.5 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -142.4 | 142.6 | 150.3 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 589 | S | 35.2 | Very low | 35.8 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | -67.9 | 155.5 | 175.4 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 590 | A | 27.8 | Very low | 35.5 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | 65.7 | 147 | 43.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 591 | P | 34.7 | Very low | 35.4 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | cis | -133.6 | 175.8 | -18.9 | 40.9 | -24.6 | 0 | 0 | 0 | 115.2 | | |
| 592 | S | 28.9 | Very low | 35.2 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | 39.6 | 115.3 | 144.3 | -165.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 593 | V | 39.5 | Very low | 35.2 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -141 | 130.5 | 143 | 172.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 594 | E | 29.8 | Very low | 35.1 | Very low | 189 Ų | 189 | 125.8 Ų | 125.8 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -84.3 | 135.9 | 165.2 | -68.5 | 165.8 | 112.9 | 0 | 0 | 109.2 | | |
| 595 | G | 35.1 | Very low | 35.2 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -152.2 | 95.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 596 | D | 33.8 | Very low | 35.1 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -81.3 | 166.6 | -171 | -151.7 | -5.7 | 0 | 0 | 0 | 113.1 | | |
| 597 | L | 35.1 | Very low | 35.3 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -54.7 | 128 | -167.6 | -63 | 161.1 | 0 | 0 | 0 | 114.8 | | |
| 598 | S | 39.2 | Very low | 35.6 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -152.3 | 103.5 | 157.1 | -81.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 599 | M | 31 | Very low | 35.3 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | trans | 17.7 | 117.3 | 152.1 | -59.4 | 172.3 | -177 | 0 | 0 | 120.1 | | |
| 600 | P | 39.2 | Very low | 35.2 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -94 | 111.4 | 139.1 | 7.7 | 12.1 | 0 | 0 | 0 | 109.7 | V602 | P600-V602 PolarHBondContact O-N 2.82Š|
| 601 | D | 33.8 | Very low | 35.8 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | -69.7 | 114.1 | 166.2 | -88.2 | -52 | 0 | 0 | 0 | 110.2 | | |
| 602 | V | 39.2 | Very low | 35.8 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | | | trans | -133.1 | 73.5 | 165.8 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | P600 A604 | P600-V602 PolarHBondContact O-N 2.82Å; V602-A604 PolarHBondContact O-N 3.11Å |
| 603 | S | 32.6 | Very low | 36 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -78.2 | 89.9 | 169.1 | 43.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 604 | A | 39.2 | Very low | 35.6 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | | | trans | -110.8 | 83.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V602 L606 | V602-A604 PolarHBondContact O-N 3.11Å; A604-L606 PolarHBondContact O-N 3.03Å |
| 605 | N | 37.1 | Very low | 35.7 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -67.4 | 121.2 | -179.8 | -67.5 | -33.1 | 0 | 0 | 0 | 111.2 | | |
| 606 | L | 39 | Very low | 35.6 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | | | trans | -124.9 | 105.3 | 146.1 | -175.6 | 60.3 | 0 | 0 | 0 | 107 | A604 | A604-L606 PolarHBondContact O-N 3.03Š|
| 607 | D | 37.7 | Very low | 35.7 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | | | trans | -75.8 | 165.3 | -169.7 | -142.2 | -43.7 | 0 | 0 | 0 | 112.3 | | |
| 608 | T | 37.1 | Very low | 35.7 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -0.3 | 135.2 | 163.3 | 41.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 609 | D | 36 | Very low | 35.3 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 56% | 0.561 | 77% | 0.774 | S | S | * | * | | | | -162.1 | 146.5 | 53.3 | -177.3 | 23.6 | 0 | 0 | 0 | 113.8 | K611 | D609-K611 PolarHBondContact O-N 2.92Å; D609-K611 IonicContact OD2-NZ 2.73Å; D609-K611 PolarHBondContact OD2-NZ 3.47Å |
| 610 | V | 34.5 | Very low | 35.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -92.9 | 85.4 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 611 | K | 38.7 | Very low | 35.4 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | -104.6 | 105.1 | 164.3 | -72.8 | -169 | 176.4 | 74.8 | 0 | 111.2 | D609 P613 | D609-K611 PolarHBondContact O-N 2.92Å; D609-K611 IonicContact OD2-NZ 2.73Å; D609-K611 PolarHBondContact OD2-NZ 3.47Å; K611-P613 VanDerWaalsContact O-CD 3.23Å; K611-P613 WeakPolarHBondContact O-CD 3.49Å |
| 612 | L | 35 | Very low | 35.7 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | -70.3 | 129.3 | 166.6 | -65.4 | 168.1 | 0 | 0 | 0 | 110.3 | | |
| 613 | P | 33.3 | Very low | 35.5 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | trans | -135.5 | 154.7 | 138.7 | 38.3 | -28.8 | 0 | 0 | 0 | 114.1 | K611 | K611-P613 VanDerWaalsContact O-CD 3.23Å; K611-P613 WeakPolarHBondContact O-CD 3.49Å |
| 614 | S | 32.5 | Very low | 36 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | 65.6 | 98.1 | 157.7 | -58.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 615 | V | 31.6 | Very low | 35.9 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -58 | 158.9 | 154.1 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 616 | Q | 32.8 | Very low | 36.2 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | trans | 87.9 | 68.7 | 174.9 | -50.6 | -165.4 | 13.8 | 0 | 0 | 117.1 | | |
| 617 | L | 35.9 | Very low | 36.3 | Very low | 182 Ų | 182 | 139 Ų | 139 | 95% | 0.953 | 78% | 0.778 | S | S | * | * | | | trans | -83.5 | 115.9 | 143.6 | -77.7 | 170.4 | 0 | 0 | 0 | 108.7 | | |
| 618 | T | 34.6 | Very low | 35.9 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | -119.2 | 114 | 170.1 | -60 | 0 | 0 | 0 | 0 | 108.7 | | |
| 619 | G | 30.7 | Very low | 36 | Very low | 65 Ų | 65 | 139.7 Ų | 139.7 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | trans | 144.3 | 165.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 620 | P | 36.3 | Very low | 36.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | cis | -108.7 | -178.5 | 10.1 | 40.7 | -33.7 | 0 | 0 | 0 | 114.4 | | |
| 621 | D | 35.5 | Very low | 36.2 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | | | trans | -47.2 | 146.1 | 171.8 | -58.3 | -124.3 | 0 | 0 | 0 | 115.3 | R623 | D621-R623 HydrophobicContact CB-CG 4.42Å; D621-R623 IonicContact OD1-CZ 3.19Å; D621-R623 IonicContact OD1-NE 2.78Å; D621-R623 PolarHBondContact OD1-NE 2.86Å; D621-R623 IonicContact OD1-NH2 2.77Å; D621-R623 PolarHBondContact OD1-NH2 3.4Å |
| 622 | L | 39.5 | Very low | 36.2 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | | | trans | -138.7 | 131.2 | 131.1 | -148.6 | 76.9 | 0 | 0 | 0 | 110 | | |
| 623 | R | 35.4 | Very low | 36.1 | Very low | 195 Ų | 195 | 138 Ų | 138 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -109.7 | 135.5 | -169 | -55.9 | 175.5 | -171.3 | 170.2 | 2.7 | 110.8 | D621 | D621-R623 HydrophobicContact CB-CG 4.42Å; D621-R623 IonicContact OD1-CZ 3.19Å; D621-R623 IonicContact OD1-NE 2.78Å; D621-R623 PolarHBondContact OD1-NE 2.86Å; D621-R623 IonicContact OD1-NH2 2.77Å; D621-R623 PolarHBondContact OD1-NH2 3.4Å |
| 624 | V | 44 | Very low | 36.3 | Very low | 143 Ų | 143 | 140 Ų | 140 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -130 | 129.7 | 160.8 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 625 | H | 37.1 | Very low | 36.6 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -79.6 | 138.8 | -175.2 | -102.5 | -104.5 | 0 | 0 | 0 | 112.5 | | |
| 626 | G | 43.7 | Very low | 37.1 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -167.3 | 132 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 627 | E | 39.5 | Very low | 37.4 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | | | trans | -84.9 | 139.1 | -160.8 | -64.4 | 179 | 127.4 | 0 | 0 | 114.4 | | |
| 628 | M | 31 | Very low | 38 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -71.4 | 176.2 | 159.2 | -102.9 | 172.3 | 56.8 | 0 | 0 | 110.8 | | |
| 629 | P | 38 | Very low | 38.3 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | | | cis | -116.6 | -172.2 | -5.1 | 41.8 | -26.7 | 0 | 0 | 0 | 111 | | |
| 630 | D | 39.1 | Very low | 38.9 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | cis | -144.7 | 175.5 | 26.5 | -120.7 | -36.4 | 0 | 0 | 0 | 113.6 | | |
| 631 | V | 36.2 | Very low | 38.8 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | trans | -115.5 | -178.2 | -153.2 | -178.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 632 | D | 37.7 | Very low | 38.6 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | 74.1 | 95.1 | -177.3 | -60 | -19.9 | 0 | 0 | 0 | 114.6 | | |
| 633 | V | 34.3 | Very low | 38.3 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | | | cis | 67.6 | 95.8 | 31.8 | -167 | 0 | 0 | 0 | 0 | 114.6 | | |
| 634 | D | 37.3 | Very low | 38.7 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | -177.8 | 114.5 | 129.3 | -118.3 | -24 | 0 | 0 | 0 | 113.4 | | |
| 635 | A | 38.2 | Very low | 38.3 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 176.7 | 115.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 636 | K | 41.4 | Very low | 38.7 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 135 | -176.4 | -69 | 161.9 | -178.6 | 165.3 | 0 | 112.6 | | |
| 637 | V | 39.4 | Very low | 38.3 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -94 | 125.9 | 158.2 | 176 | 0 | 0 | 0 | 0 | 107.7 | V639 | V637-V639 HydrophobicContact CG1-CG2 4.27Š|
| 638 | D | 48.3 | Very low | 38 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 121.8 | -174.2 | -166.6 | 5.4 | 0 | 0 | 0 | 111.5 | P640 | D638-P640 WeakPolarHBondContact OD1-CD 3.35Š|
| 639 | V | 42.4 | Very low | 38.1 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | | | trans | -145.4 | 90 | 178.1 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | V637 | V637-V639 HydrophobicContact CG1-CG2 4.27Š|
| 640 | P | 41.8 | Very low | 38.1 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -96.9 | 134.9 | 165.6 | -5.6 | 26.9 | 0 | 0 | 0 | 111.5 | D638 | D638-P640 WeakPolarHBondContact OD1-CD 3.35Š|
| 641 | K | 34.8 | Very low | 37.7 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -92.8 | 165.1 | 176 | -88.9 | 176.3 | -179.9 | 173.2 | 0 | 111.9 | | |
| 642 | P | 31.9 | Very low | 37.7 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -94 | 176.8 | -158.5 | 37.6 | -38.6 | 0 | 0 | 0 | 115.5 | | |
| 643 | H | 32.6 | Very low | 37.4 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | 84.6 | 103.7 | 153.4 | -157.1 | 89.1 | 0 | 0 | 0 | 118.3 | | |
| 644 | I | 43.3 | Very low | 37.8 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -132.4 | 130.4 | 157.9 | -62.1 | 179.5 | 0 | 0 | 0 | 108 | I646 | I644-I646 HydrophobicContact CG2-CD1 4.19Å; I644-I646 HydrophobicContact CG2-CG1 4.13Å |
| 645 | S | 35.9 | Very low | 37.6 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | | | trans | -134 | 121.8 | 172.9 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 646 | I | 46.1 | Very low | 37.4 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | | | trans | -130.7 | 140.9 | 178.8 | -60 | -179.9 | 0 | 0 | 0 | 109 | I644 | I644-I646 HydrophobicContact CG2-CD1 4.19Å; I644-I646 HydrophobicContact CG2-CG1 4.13Å |
| 647 | K | 35.4 | Very low | 37.2 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -115.7 | 149.9 | -171.6 | -73.5 | 178.1 | 177.9 | 171.8 | 0 | 113.1 | | |
| 648 | A | 33.1 | Very low | 37 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | | | trans | 72.4 | 136.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 649 | P | 32.6 | Very low | 36.1 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | | | trans | -98.5 | 164 | 178.2 | 38.8 | -35.5 | 0 | 0 | 0 | 113.9 | | |
| 650 | K | 38.3 | Very low | 35.6 | Very low | 209 Ų | 209 | 150 Ų | 150 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -139.7 | 160.6 | 161.2 | -91 | -168 | 173 | 69.5 | 0 | 112.5 | | |
| 651 | F | 29.9 | Very low | 35.2 | Very low | 215 Ų | 215 | 153.7 Ų | 153.7 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | | | trans | -64.5 | 155.8 | -171.1 | -93.8 | -126.4 | 0 | 0 | 0 | 115.5 | | |
| 652 | G | 37.9 | Very low | 35 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -176.2 | 110.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 653 | F | 30.8 | Very low | 35.3 | Very low | 205 Ų | 205 | 152 Ų | 152 | 90% | 0.899 | 81% | 0.808 | S | S | * | * | | | trans | -124.2 | 112.7 | 178.5 | -164.3 | -90.9 | 0 | 0 | 0 | 108.9 | | |
| 654 | G | 42.6 | Very low | 35.6 | Very low | 80 Ų | 80 | 151.1 Ų | 151.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -133.4 | 137.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 655 | L | 32.1 | Very low | 35.3 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | | | trans | -124.2 | 120.3 | -165.7 | -179 | 67.7 | 0 | 0 | 0 | 113.7 | | |
| 656 | G | 34.4 | Very low | 35.1 | Very low | 59 Ų | 59 | 153.5 Ų | 153.5 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | | | trans | 99.9 | 146.7 | 140.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 657 | K | 37.8 | Very low | 34.6 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | | | trans | -178.6 | 141.8 | 133.1 | -94.1 | 151 | -170.8 | 177.1 | 0 | 111.9 | | |
| 658 | K | 34.8 | Very low | 34.6 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | 21.7 | 120.9 | 152.2 | -53.6 | 178.3 | -178.3 | -178.7 | 0 | 118.5 | | |
| 659 | K | 29 | Very low | 35.1 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | | 54.1 | 126.3 | 74.7 | -70.4 | -168.4 | 175.5 | -172.7 | 0 | 115.3 | | |
| 660 | T | 32.9 | Very low | 35.3 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | | 159.8 | 141.3 | 121 | -66.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 661 | K | 32.1 | Very low | 35.2 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | | | trans | 61.3 | 116.3 | 159.4 | -85.8 | -169.3 | 172.1 | -176.1 | 0 | 125.1 | | |
| 662 | V | 32.2 | Very low | 35.2 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | | | | 61.4 | 119.4 | 113.5 | 175.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 663 | K | 38.3 | Very low | 34.6 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 68% | 0.683 | 79% | 0.792 | S | S | * | * | | | | -169.5 | 131.3 | 112.1 | -100.3 | -174 | -177.7 | -176.1 | 0 | 110.7 | L1208 | K663-L1208 PolarHBondContact NZ-O 3.13Š|
| 664 | T | 37.7 | Very low | 34.3 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -149 | 101.7 | 170.6 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 665 | P | 38.2 | Very low | 33.7 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -95.3 | 130.5 | 162.2 | 33 | -25.9 | 0 | 0 | 0 | 110.6 | | |
| 666 | K | 30.3 | Very low | 33.5 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -72.1 | 149.2 | 178.1 | -66.3 | 154.4 | 139.8 | -119.4 | 0 | 111.6 | D668 | K666-D668 WeakPolarHBondContact CD-OD2 3.29Å; K666-D668 IonicContact NZ-OD1 2.59Å; K666-D668 IonicContact NZ-OD2 3.94Å; K666-D668 PolarHBondContact NZ-OD2 3.28Å |
| 667 | A | 37 | Very low | 33.4 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -123.6 | 87.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | V669 | A667-V669 PolarHBondContact O-N 2.91Š|
| 668 | D | 35.6 | Very low | 32.9 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 64% | 0.642 | 80% | 0.8 | S | S | * | * | | | trans | -79 | 115.5 | 179.3 | -73.7 | -55 | 0 | 0 | 0 | 109.7 | K666 | K666-D668 WeakPolarHBondContact CD-OD2 3.29Å; K666-D668 IonicContact NZ-OD1 2.59Å; K666-D668 IonicContact NZ-OD2 3.94Å; K666-D668 PolarHBondContact NZ-OD2 3.28Å |
| 669 | V | 43.7 | Very low | 32.9 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -124.7 | 114.3 | 164.5 | 178.1 | 0 | 0 | 0 | 0 | 108 | A667 | A667-V669 PolarHBondContact O-N 2.91Š|
| 670 | K | 36.5 | Very low | 33.1 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 70% | 0.7 | 78% | 0.781 | S | S | * | * | | | trans | -132.4 | 109.2 | -171.9 | -172.5 | -144.8 | -171.7 | -158.9 | 0 | 111.3 | E672 | K670-E672 HydrophobicContact CD-CG 4.31Å; K670-E672 WeakPolarHBondContact CE-OE1 3.25Å; K670-E672 HydrophobicContact CG-CG 4.41Å; K670-E672 IonicContact NZ-OE1 3.27Å; K670-E672 PolarHBondContact NZ-OE1 3.07Å |
| 671 | V | 36.2 | Very low | 33.2 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | | | trans | -145.6 | 114.3 | 161.4 | -178.8 | 0 | 0 | 0 | 0 | 105.2 | | |
| 672 | E | 28.7 | Very low | 33.3 | Very low | 132 Ų | 132 | 128 Ų | 128 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | | | cis | 82.4 | 107.2 | 44.1 | -66.6 | -78.7 | -166.2 | 0 | 0 | 114.5 | K670 | K670-E672 HydrophobicContact CD-CG 4.31Å; K670-E672 WeakPolarHBondContact CE-OE1 3.25Å; K670-E672 HydrophobicContact CG-CG 4.41Å; K670-E672 IonicContact NZ-OE1 3.27Å; K670-E672 PolarHBondContact NZ-OE1 3.07Å |
| 673 | G | 25.4 | Very low | 33.7 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | | | trans | 76.2 | 148 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 674 | G | 25.5 | Very low | 33.3 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | | | cis | 160.4 | 158.7 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 675 | A | 29.7 | Very low | 33.1 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 97% | 0.967 | 74% | 0.741 | S | S | * | * | | | trans | 65.7 | 138.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 676 | G | 28.5 | Very low | 32.9 | Very low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | trans | 141.8 | 90 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 677 | E | 32 | Very low | 33.5 | Very low | 193 Ų | 193 | 118.5 Ų | 118.5 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | | | trans | 53.2 | 107.6 | 155.8 | -60.1 | -176.3 | 126.5 | 0 | 0 | 119.9 | | |
| 678 | E | 27 | Very low | 33.3 | Very low | 187 Ų | 187 | 120.7 Ų | 120.7 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | | | trans | -70.4 | 147.1 | 149.4 | -56.5 | 172.4 | 118.2 | 0 | 0 | 110.3 | | |
| 679 | I | 34.6 | Very low | 33.2 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | trans | 170.6 | 137.8 | 152.8 | -95.9 | 152.2 | 0 | 0 | 0 | 108.1 | | |
| 680 | D | 32.9 | Very low | 32.8 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 56% | 0.561 | 73% | 0.734 | S | S | * | * | | | cis | -167.1 | 172.2 | -18.6 | -171.4 | 11.1 | 0 | 0 | 0 | 107.8 | | |
| 681 | L | 35.8 | Very low | 32.6 | Very low | 67 Ų | 67 | 116.1 Ų | 116.1 | 35% | 0.351 | 72% | 0.722 | S | S | . | * | | | trans | 75.5 | 95.1 | 159 | -51.3 | 177.1 | 0 | 0 | 0 | 120.4 | N145 L146 | N145-L681 HydrophobicContact CB-CD1 3.74Å; N145-L681 HydrophobicContact CB-CD2 4.2Å; N145-L681 HydrophobicContact CB-CG 4.43Å; L146-L681 HydrophobicContact CB-CD1 4.09Å; L146-L681 HydrophobicContact CD1-CD1 3.56Å; L146-L681 HydrophobicContact CG-CD1 4.41Å |
| 682 | D | 33.8 | Very low | 32.3 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | | | trans | -42.4 | 143.3 | 143.5 | -177 | 9.2 | 0 | 0 | 0 | 113.6 | N145 G684 | N145-D682 PolarHBondContact ND2-O 3.31Å; D682-G684 PolarHBondContact OD1-N 3.21Å |
| 683 | A | 39.4 | Very low | 32.6 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | | | trans | -154.1 | 47 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 684 | G | 30.1 | Very low | 33.1 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | | | trans | -82.3 | 124.3 | 169 | 0 | 0 | 0 | 0 | 0 | 113.9 | D682 | D682-G684 PolarHBondContact OD1-N 3.21Š|
| 685 | L | 35 | Very low | 33.6 | Very low | 137 Ų | 137 | 132 Ų | 132 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | trans | -152.2 | 103.4 | 144.6 | -171.6 | 55.1 | 0 | 0 | 0 | 112.2 | | |
| 686 | D | 33.1 | Very low | 33.6 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -78.4 | 150.4 | 168 | -172.6 | 3 | 0 | 0 | 0 | 110.7 | H688 | D686-H688 PolarHBondContact OD1-N 3.45Š|
| 687 | A | 42.7 | Very low | 33.9 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | | | trans | -151.2 | 31.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 688 | H | 32.7 | Very low | 34.1 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 68% | 0.676 | 73% | 0.726 | S | S | * | * | | | trans | -85.4 | 124.8 | 177.7 | -166.9 | -118.4 | 0 | 0 | 0 | 113.1 | D686 | D686-H688 PolarHBondContact OD1-N 3.45Š|
| 689 | L | 33.7 | Very low | 34.6 | Very low | 137 Ų | 137 | 129 Ų | 129 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | | | trans | 57.1 | 139.1 | 166 | -65.8 | 179.8 | 0 | 0 | 0 | 117.4 | | |
| 690 | D | 35.6 | Very low | 34.9 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | | | | -144.8 | 152.9 | 67.3 | -175.6 | 36.4 | 0 | 0 | 0 | 115.4 | | |
| 691 | G | 32 | Very low | 35.3 | Very low | 43 Ų | 43 | 132.6 Ų | 132.6 | 44% | 0.443 | 73% | 0.726 | S | S | . | * | | | trans | -104.3 | 108.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T693 | G691-T693 PolarHBondContact O-N 2.95Š|
| 692 | K | 29.6 | Very low | 35.3 | Very low | 208 Ų | 208 | 139.8 Ų | 139.8 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | | | trans | 16.6 | 73.3 | 147 | -61.8 | 171.1 | -177.1 | 159.5 | 0 | 117.1 | R694 | K692-R694 PolarHBondContact O-N 3.44Š|
| 693 | T | 34.6 | Very low | 35.5 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | | | trans | -85.8 | 103.2 | 166.6 | -66.7 | 0 | 0 | 0 | 0 | 110.9 | G691 | G691-T693 PolarHBondContact O-N 2.95Š|
| 694 | R | 36.2 | Very low | 35.3 | Very low | 228 Ų | 228 | 139.4 Ų | 139.4 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | trans | -117.8 | 152.9 | 169.6 | -75.8 | -171.8 | 179.4 | -177.9 | 1.3 | 110.4 | K692 | K692-R694 PolarHBondContact O-N 3.44Š|
| 695 | K | 35.8 | Very low | 35.7 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | | | trans | 70 | 136.5 | 176.5 | -46.7 | 177.4 | -176.5 | 179.2 | 0 | 113.1 | | |
| 696 | G | 29.9 | Very low | 35.8 | Very low | 80 Ų | 80 | 149.4 Ų | 149.4 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | cis | 88.2 | 93.7 | -10.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 697 | G | 35.1 | Very low | 36.1 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | 139.9 | 110 | 144.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 698 | K | 36.4 | Very low | 36.6 | Very low | 197 Ų | 197 | 148.5 Ų | 148.5 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | | | trans | 73.6 | 154.2 | 149.7 | -53.7 | 171 | -172.2 | 178.4 | 0 | 117.1 | | |
| 699 | K | 38.5 | Very low | 36.8 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 70% | 0.7 | 77% | 0.773 | S | S | * | * | | | cis | 175.9 | 107.4 | -35.4 | -120.4 | -169.8 | 174.7 | -166.9 | 0 | 107.9 | | |
| 700 | F | 40.4 | Very low | 36.9 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | -106.4 | 147.4 | 164.3 | -98.3 | -103 | 0 | 0 | 0 | 112.1 | E1319 | F700-E1319 HydrophobicContact CD2-CG 4.23Å; F700-E1319 WeakPolarHBondContact CD2-OE1 3.05Å; F700-E1319 PolarHBondContact N-OE1 3.24Å |
| 701 | H | 41.8 | Very low | 36.9 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | -147.9 | 107.1 | 179.7 | -89 | -112 | 0 | 0 | 0 | 110.1 | | |
| 702 | W | 35.7 | Very low | 37 | Very low | 219 Ų | 219 | 149.5 Ų | 149.5 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | trans | -149.3 | 131.4 | 162.4 | 163.6 | -103.2 | 0 | 0 | 0 | 108.9 | P704 | W702-P704 HydrophobicContact CH2-CB 4.37Å; W702-P704 HydrophobicContact CZ2-CB 4.01Å; W702-P704 HydrophobicContact CZ2-CG 4.18Å |
| 703 | S | 36.7 | Very low | 37.4 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -160.6 | 110.8 | 173.3 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 704 | P | 35 | Very low | 37.5 | Very low | 97 Ų | 97 | 150.8 Ų | 150.8 | 63% | 0.63 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 150.1 | 179.8 | 30 | -33.4 | 0 | 0 | 0 | 111.2 | W702 | W702-P704 HydrophobicContact CH2-CB 4.37Å; W702-P704 HydrophobicContact CZ2-CB 4.01Å; W702-P704 HydrophobicContact CZ2-CG 4.18Å |
| 705 | K | 40.3 | Very low | 37.5 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 121.2 | -177.9 | -70.1 | 173.3 | 179.1 | 170.6 | 0 | 111 | | |
| 706 | F | 35.7 | Very low | 37.1 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.5 | 158.8 | -112 | -101.2 | 0 | 0 | 0 | 109.4 | | |
| 707 | G | 39.9 | Very low | 37 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | -119.7 | 111.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 708 | L | 52.2 | Low | 36.6 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | trans | -77.5 | 133.1 | 175 | -78.5 | 74.5 | 0 | 0 | 0 | 109.9 | K710 | L708-K710 PolarHBondContact O-N 3.37Š|
| 709 | P | 38.1 | Very low | 36.3 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -67.1 | 130.2 | 171.7 | 28.4 | -33.2 | 0 | 0 | 0 | 110 | | |
| 710 | K | 35.4 | Very low | 36 | Very low | 217 Ų | 217 | 136.8 Ų | 136.8 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | | | trans | -104.9 | 92 | 172.5 | -77.7 | -174 | 174.5 | -177.7 | 0 | 110 | L708 | L708-K710 PolarHBondContact O-N 3.37Š|
| 711 | G | 36.5 | Very low | 35.4 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -161 | 142 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 712 | G | 33 | Very low | 35.2 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | | | cis | 153 | 52.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 713 | L | 38.4 | Very low | 35.1 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | -143 | 127.6 | 173.7 | -152 | 64 | 0 | 0 | 0 | 111.6 | I715 | L713-I715 HydrophobicContact CD1-CD1 3.68Å; L713-I715 HydrophobicContact CD1-CG1 4.03Å; L713-I715 HydrophobicContact CG-CD1 4.17Å; L713-I715 HydrophobicContact CG-CG1 4.15Å |
| 714 | K | 36.8 | Very low | 35.3 | Very low | 214 Ų | 214 | 127 Ų | 127 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | | | trans | -132.2 | 90.1 | 163.7 | -79.3 | -168.8 | 175.2 | -172.1 | 0 | 107.3 | | |
| 715 | I | 35.1 | Very low | 35.6 | Very low | 145 Ų | 145 | 127 Ų | 127 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | trans | -138.7 | 136.3 | 171.6 | -55.4 | 177.5 | 0 | 0 | 0 | 104.1 | L713 | L713-I715 HydrophobicContact CD1-CD1 3.68Å; L713-I715 HydrophobicContact CD1-CG1 4.03Å; L713-I715 HydrophobicContact CG-CD1 4.17Å; L713-I715 HydrophobicContact CG-CG1 4.15Å |
| 716 | G | 29.4 | Very low | 35.7 | Very low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | | | cis | -173.2 | 153.9 | -5.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | G718 | G716-G718 PolarHBondContact O-N 3.23Š|
| 717 | G | 25.8 | Very low | 35.8 | Very low | 94 Ų | 94 | 120.5 Ų | 120.5 | 97% | 0.969 | 79% | 0.79 | S | S | * | * | | | trans | -70.9 | 115.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 718 | G | 27.5 | Very low | 35.7 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -115.7 | 118.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | G716 | G716-G718 PolarHBondContact O-N 3.23Š|
| 719 | A | 30.1 | Very low | 34.7 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -106.9 | 96.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 720 | D | 32.2 | Very low | 34.4 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -126.9 | 102.6 | 163.7 | -87.5 | -52.4 | 0 | 0 | 0 | 107.2 | | |
| 721 | G | 28.2 | Very low | 34.4 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -94.8 | 106.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 722 | V | 37.2 | Very low | 34.2 | Very low | 114 Ų | 114 | 128 Ų | 128 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -127.3 | 102.9 | 161 | -164.7 | 0 | 0 | 0 | 0 | 108.2 | V724 | V722-V724 HydrophobicContact CB-CG2 4.01Å; V722-V724 HydrophobicContact CG1-CG2 3.49Å; V722-V724 VanDerWaalsContact CG1-CG2 3.49Å; V722-V724 PolarHBondContact O-N 3.48Å |
| 723 | D | 33.6 | Very low | 34.7 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | -70.7 | 85.4 | 162.5 | -179.1 | 15 | 0 | 0 | 0 | 107.8 | S725 | D723-S725 PolarHBondContact O-N 3.01Š|
| 724 | V | 40.8 | Very low | 34.5 | Very low | 101 Ų | 101 | 127 Ų | 127 | 61% | 0.612 | 78% | 0.776 | S | S | * | * | | | trans | -75.7 | 78.3 | 178.8 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | V722 L726 | V722-V724 HydrophobicContact CB-CG2 4.01Å; V722-V724 HydrophobicContact CG1-CG2 3.49Å; V722-V724 VanDerWaalsContact CG1-CG2 3.49Å; V722-V724 PolarHBondContact O-N 3.48Å; V724-L726 PolarHBondContact O-N 3.46Å |
| 725 | S | 41.8 | Very low | 34.3 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 131.8 | 159.5 | -78.1 | 0 | 0 | 0 | 0 | 109.3 | D723 | D723-S725 PolarHBondContact O-N 3.01Š|
| 726 | L | 43 | Very low | 34.4 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 131.9 | -163.2 | -68 | 168.4 | 0 | 0 | 0 | 112.4 | V724 K728 | V724-L726 PolarHBondContact O-N 3.46Å; L726-K728 PolarHBondContact O-N 3.12Å |
| 727 | P | 36.6 | Very low | 34.7 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 119.2 | 177.2 | 30.1 | -33.4 | 0 | 0 | 0 | 111.2 | | |
| 728 | K | 38 | Very low | 34.9 | Very low | 203 Ų | 203 | 130.7 Ų | 130.7 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | -133.2 | 109.2 | 152.4 | -76.2 | -163.8 | 173 | -173.7 | 0 | 108.8 | L726 | L726-K728 PolarHBondContact O-N 3.12Š|
| 729 | P | 31.2 | Very low | 35.4 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -85.6 | -175.8 | -179.9 | 37.8 | -37.1 | 0 | 0 | 0 | 111.6 | | |
| 730 | E | 32 | Very low | 35.5 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | 64.3 | 84 | 157.8 | -70.7 | 154.9 | -123.6 | 0 | 0 | 117.2 | | |
| 731 | L | 35.8 | Very low | 35.4 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | | -129.1 | 106 | 118.9 | -159.7 | 77.2 | 0 | 0 | 0 | 108.9 | V733 | L731-V733 HydrophobicContact CD2-CG2 3.94Å; L731-V733 HydrophobicContact CG-CG2 4.02Å |
| 732 | D | 32.9 | Very low | 36.2 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | trans | -84 | 113.3 | -178.9 | -170.1 | 11.3 | 0 | 0 | 0 | 109.6 | | |
| 733 | V | 42.1 | Very low | 36.1 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -130.3 | 93.2 | -173.9 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | L731 | L731-V733 HydrophobicContact CD2-CG2 3.94Å; L731-V733 HydrophobicContact CG-CG2 4.02Å |
| 734 | S | 34.8 | Very low | 36.2 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | 45.2 | 98.9 | 159.5 | 59.7 | 0 | 0 | 0 | 0 | 117.5 | E736 | S734-E736 PolarHBondContact O-N 3.28Š|
| 735 | M | 31.4 | Very low | 36.2 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | | | trans | -66.3 | 120.5 | 147.6 | -76.1 | -176.2 | 167.3 | 0 | 0 | 110 | | |
| 736 | E | 38.8 | Very low | 35.7 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -116 | 139.9 | 146.4 | -72.2 | -163.4 | 136.4 | 0 | 0 | 108.3 | S734 | S734-E736 PolarHBondContact O-N 3.28Š|
| 737 | V | 35.9 | Very low | 35.2 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -128.1 | 125.4 | -171.8 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 738 | P | 29.5 | Very low | 34.8 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | | | trans | -134.8 | 165.9 | 144.1 | 35.5 | -21.3 | 0 | 0 | 0 | 113.7 | | |
| 739 | D | 37.5 | Very low | 34.7 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | 58 | 95.5 | 160.2 | -50.6 | -26.7 | 0 | 0 | 0 | 117.7 | | |
| 740 | V | 31.9 | Very low | 34.6 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | | 80.1 | 118.8 | 50.5 | -175.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 741 | D | 31.6 | Very low | 34.8 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | 36.7 | 110.8 | 165.9 | -77.9 | -46.2 | 0 | 0 | 0 | 121 | | |
| 742 | V | 43.9 | Very low | 34.3 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | | | trans | -113.7 | 106.2 | 136.3 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 743 | S | 35.1 | Very low | 34.1 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | | | trans | -87.3 | 158.3 | -172.1 | 63.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 744 | A | 36.9 | Very low | 33.7 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | trans | 71.9 | 99.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 745 | S | 40.4 | Very low | 33.5 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | | -146.2 | 109 | 128.1 | 70.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 746 | G | 30.3 | Very low | 33.8 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -95.9 | 155.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 747 | P | 32.6 | Very low | 33.3 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | | -144.9 | 159.1 | 91.8 | 38.2 | -23.8 | 0 | 0 | 0 | 115.6 | | |
| 748 | E | 28.5 | Very low | 33.1 | Very low | 192 Ų | 192 | 125.7 Ų | 125.7 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | -91.7 | 134.6 | 170.9 | -56.8 | 179.6 | 132 | 0 | 0 | 111.5 | | |
| 749 | I | 35.1 | Very low | 33.2 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -141.1 | 126.5 | 153 | -61.8 | -175.5 | 0 | 0 | 0 | 108.2 | | |
| 750 | G | 29.4 | Very low | 32.8 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | | | trans | -121.6 | 151.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 751 | V | 36.5 | Very low | 33 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | | | trans | -137.4 | 126 | 170.1 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 752 | S | 26.2 | Very low | 33 | Very low | 120 Ų | 120 | 124 Ų | 124 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | -125.6 | 127.9 | 175.4 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 753 | G | 28.7 | Very low | 32.5 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | 163.8 | 146.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 754 | G | 32.1 | Very low | 32.4 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | | | trans | 134.7 | 44.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | I756 | G754-I756 PolarHBondContact O-N 3.37Š|
| 755 | A | 30.5 | Very low | 32 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -75.3 | 101.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 756 | I | 38.6 | Very low | 31.7 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -90.2 | 114.6 | 173.7 | -58.2 | -180 | 0 | 0 | 0 | 109.4 | G754 | G754-I756 PolarHBondContact O-N 3.37Š|
| 757 | R | 28.2 | Very low | 31.8 | Very low | 252 Ų | 252 | 131.8 Ų | 131.8 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | | | trans | -125.6 | 89.9 | -179.6 | -173.5 | -178.3 | -177.1 | 178.7 | 1.6 | 110.6 | | |
| 758 | G | 31.2 | Very low | 31.6 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | | | trans | 179.5 | 138.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 759 | G | 32 | Very low | 32.1 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | 137 | 65.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L761 | G759-L761 PolarHBondContact O-N 3.38Š|
| 760 | E | 29.6 | Very low | 32.1 | Very low | 181 Ų | 181 | 123.3 Ų | 123.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -57.2 | 109.4 | 177.1 | 178.8 | -177 | 164.8 | 0 | 0 | 112.5 | G762 | E760-G762 PolarHBondContact O-N 3.03Š|
| 761 | L | 35.7 | Very low | 32.4 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | | | trans | -88.4 | 59 | 163.2 | -70.3 | -177.2 | 0 | 0 | 0 | 110.7 | G759 | G759-L761 PolarHBondContact O-N 3.38Š|
| 762 | G | 31 | Very low | 32.6 | Very low | 42 Ų | 42 | 125.8 Ų | 125.8 | 43% | 0.433 | 79% | 0.792 | S | S | . | * | | | trans | -75.6 | 165.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E760 | E760-G762 PolarHBondContact O-N 3.03Š|
| 763 | L | 34.5 | Very low | 33.2 | Very low | 176 Ų | 176 | 125.4 Ų | 125.4 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | trans | 80.3 | 96.7 | 176.3 | -53.3 | -179.7 | 0 | 0 | 0 | 117.2 | G765 | L763-G765 PolarHBondContact O-N 3.26Š|
| 764 | T | 32.2 | Very low | 33.8 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | trans | -62.1 | 92.4 | 163.5 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | K766 | T764-K766 VanDerWaalsContact C-N 3.25Å; T764-K766 PolarHBondContact O-N 3.25Å |
| 765 | G | 28.6 | Very low | 34.3 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | -68.8 | 72.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L763 V767 | L763-G765 PolarHBondContact O-N 3.26Å; G765-V767 PolarHBondContact O-N 2.93Å |
| 766 | K | 33.4 | Very low | 34.9 | Very low | 196 Ų | 196 | 127.6 Ų | 127.6 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | | | trans | -69.6 | 77.4 | 168.2 | -77.4 | -171.1 | 176.9 | -179.1 | 0 | 110.6 | T764 | T764-K766 VanDerWaalsContact C-N 3.25Å; T764-K766 PolarHBondContact O-N 3.25Å |
| 767 | V | 34.1 | Very low | 34.8 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 117.8 | 162.3 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | G765 | G765-V767 PolarHBondContact O-N 2.93Š|
| 768 | C | 27.9 | Very low | 35.3 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 146 | 177.5 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | P770 | C768-P770 VanDerWaalsContact O-CD 3.23Å; C768-P770 WeakPolarHBondContact O-CD 3.36Å |
| 769 | S | 39.8 | Very low | 35.4 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 121.9 | 162.8 | 44.8 | 0 | 0 | 0 | 0 | 110 | | |
| 770 | P | 33.7 | Very low | 35.6 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 123.4 | 147.2 | 31.2 | -28.4 | 0 | 0 | 0 | 106.9 | C768 V772 | C768-P770 VanDerWaalsContact O-CD 3.23Å; C768-P770 WeakPolarHBondContact O-CD 3.36Å; P770-V772 PolarHBondContact O-N 2.74Å |
| 771 | D | 35.1 | Very low | 35.8 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | | | trans | -63.1 | 106.7 | 175 | -64.2 | -65 | 0 | 0 | 0 | 109.8 | D773 | D771-D773 PolarHBondContact O-N 3.05Š|
| 772 | V | 41 | Very low | 35.6 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | -79.6 | 62.7 | 165.4 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | P770 V774 | P770-V772 PolarHBondContact O-N 2.74Å; V772-V774 VanDerWaalsContact C-N 3.26Å; V772-V774 HydrophobicContact CG1-CG2 4Å; V772-V774 PolarHBondContact O-N 3.21Å |
| 773 | D | 39.9 | Very low | 35.8 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | | | trans | -69.6 | 84.4 | 173.5 | 179.2 | 41.6 | 0 | 0 | 0 | 109.3 | D771 S775 | D771-D773 PolarHBondContact O-N 3.05Å; D773-S775 VanDerWaalsContact CG-OG 3.29Å; D773-S775 PolarHBondContact O-N 3.1Å; D773-S775 VanDerWaalsContact OD1-CB 3.22Å; D773-S775 WeakPolarHBondContact OD1-CB 3.31Å; D773-S775 PolarHBondContact OD1-N 2.82Å; D773-S775 WeakPolarHBondContact OD2-CB 3.03Å; D773-S775 PolarHBondContact OD2-OG 3.01Å |
| 774 | V | 41.6 | Very low | 35.4 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | | | trans | -77.7 | 59.9 | 163.1 | -170.3 | 0 | 0 | 0 | 0 | 108 | V772 V776 | V772-V774 VanDerWaalsContact C-N 3.26Å; V772-V774 HydrophobicContact CG1-CG2 4Å; V772-V774 PolarHBondContact O-N 3.21Å; V774-V776 VanDerWaalsContact C-N 3.34Å; V774-V776 PolarHBondContact O-N 3.49Å |
| 775 | S | 40.8 | Very low | 35.8 | Very low | 73 Ų | 73 | 130.7 Ų | 130.7 | 51% | 0.51 | 74% | 0.739 | S | S | . | * | | | trans | -64.8 | 93.6 | 172.1 | 42.4 | 0 | 0 | 0 | 0 | 109.1 | D773 P777 | D773-S775 VanDerWaalsContact CG-OG 3.29Å; D773-S775 PolarHBondContact O-N 3.1Å; D773-S775 VanDerWaalsContact OD1-CB 3.22Å; D773-S775 WeakPolarHBondContact OD1-CB 3.31Å; D773-S775 PolarHBondContact OD1-N 2.82Å; D773-S775 WeakPolarHBondContact OD2-CB 3.03Å; D773-S775 PolarHBondContact OD2-OG 3.01Å; S775-P777 WeakPolarHBondContact O-CD 3.18Å |
| 776 | V | 43.3 | Very low | 35.6 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | | | trans | -57.4 | 111.1 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | V774 S778 | V774-V776 VanDerWaalsContact C-N 3.34Å; V774-V776 PolarHBondContact O-N 3.49Å; V776-S778 PolarHBondContact O-N 3.3Å |
| 777 | P | 37 | Very low | 35.7 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | | | trans | -76.9 | 93.2 | -170.5 | 30 | -33.6 | 0 | 0 | 0 | 109.3 | S775 K779 | S775-P777 WeakPolarHBondContact O-CD 3.18Å; P777-K779 PolarHBondContact O-N 2.83Å |
| 778 | S | 38.9 | Very low | 35.6 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | | | trans | -62.3 | 134.4 | -178 | 93.4 | 0 | 0 | 0 | 0 | 111 | V776 | V776-S778 PolarHBondContact O-N 3.3Š|
| 779 | K | 34.1 | Very low | 35.8 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | | | trans | 60.8 | 63.4 | 156.4 | -55.3 | 162 | -175 | 166.1 | 0 | 116.2 | P777 K781 | P777-K779 PolarHBondContact O-N 2.83Å; K779-K781 VanDerWaalsContact C-N 3.3Å; K779-K781 PolarHBondContact O-N 3.13Å |
| 780 | K | 36.3 | Very low | 35.6 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | | | trans | -65.1 | 92.1 | 152.4 | -86.2 | -175.7 | 177.7 | 172.9 | 0 | 110 | F782 | K780-F782 PolarHBondContact O-N 3.13Š|
| 781 | K | 33.3 | Very low | 35.6 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | -68.8 | 111.2 | 175.7 | -165.3 | 175.2 | -173.8 | 177.7 | 0 | 109.1 | K779 T783 | K779-K781 VanDerWaalsContact C-N 3.3Å; K779-K781 PolarHBondContact O-N 3.13Å; K781-T783 HydrophobicContact CG-CG2 4.41Å; K781-T783 PolarHBondContact O-N 2.93Å |
| 782 | F | 30.7 | Very low | 35.6 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | | | trans | -78.9 | 91.6 | -175.7 | -142.2 | -85.8 | 0 | 0 | 0 | 110.7 | K780 | K780-F782 PolarHBondContact O-N 3.13Š|
| 783 | T | 35.4 | Very low | 35.2 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -98.4 | 101 | 176.3 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | K781 G785 | K781-T783 HydrophobicContact CG-CG2 4.41Å; K781-T783 PolarHBondContact O-N 2.93Å; T783-G785 PolarHBondContact O-N 3.38Å; T783-G785 VanDerWaalsContact O-N 3.12Å |
| 784 | F | 26.3 | Very low | 34.9 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -78.3 | 91.4 | 173.1 | -175.8 | -99.1 | 0 | 0 | 0 | 110.3 | | |
| 785 | G | 40.1 | Very low | 34.2 | Very low | 70 Ų | 70 | 149.7 Ų | 149.7 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | -105.9 | 111.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | T783 G787 | T783-G785 PolarHBondContact O-N 3.38Å; T783-G785 VanDerWaalsContact O-N 3.12Å; G785-G787 PolarHBondContact O-N 2.97Å |
| 786 | W | 25.1 | Very low | 33.9 | Very low | 215 Ų | 215 | 151.6 Ų | 151.6 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | -79.1 | 99.1 | 176.3 | -179.5 | -90.2 | 0 | 0 | 0 | 110.7 | | |
| 787 | G | 35.7 | Very low | 33.5 | Very low | 79 Ų | 79 | 154.4 Ų | 154.4 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | | | trans | -131.5 | 97 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G785 | G785-G787 PolarHBondContact O-N 2.97Š|
| 788 | S | 32.3 | Very low | 33.4 | Very low | 86 Ų | 86 | 156.2 Ų | 156.2 | 60% | 0.601 | 81% | 0.806 | S | S | * | * | | | trans | -89.7 | 149.8 | -172 | -78.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 789 | K | 32.4 | Very low | 33.1 | Very low | 217 Ų | 217 | 157.4 Ų | 157.4 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | | | trans | 60.3 | 103.9 | 158.8 | -92.1 | 177.2 | 171.4 | 175.2 | 0 | 117.8 | | |
| 790 | G | 34.5 | Very low | 33.6 | Very low | 78 Ų | 78 | 155.1 Ų | 155.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -154.2 | 20.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K792 | G790-K792 PolarHBondContact O-N 3.12Å; G790-K792 VanDerWaalsContact O-N 3.1Å |
| 791 | K | 34.5 | Very low | 33.5 | Very low | 217 Ų | 217 | 152 Ų | 152 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | | | trans | -75.4 | 98.5 | -177.2 | -74.5 | -170.4 | 178.1 | -176.8 | 0 | 112.6 | | |
| 792 | K | 34.2 | Very low | 33.4 | Very low | 207 Ų | 207 | 149 Ų | 149 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | | | trans | -126.6 | 114.4 | 143.6 | -81.6 | -167.4 | 176.1 | -177.3 | 0 | 108.7 | G790 K794 | G790-K792 PolarHBondContact O-N 3.12Å; G790-K792 VanDerWaalsContact O-N 3.1Å; K792-K794 PolarHBondContact O-N 3Å |
| 793 | A | 32.2 | Very low | 33.4 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -81.3 | 117.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 794 | K | 34.6 | Very low | 33.5 | Very low | 211 Ų | 211 | 145.3 Ų | 145.3 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | | | trans | -92.1 | 108 | 150.1 | -87.5 | -170.4 | 171.5 | -175.5 | 0 | 107.9 | K792 | K792-K794 PolarHBondContact O-N 3Š|
| 795 | K | 26.8 | Very low | 33.8 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | trans | -71.3 | 170.9 | 168.8 | -173.6 | -179.7 | 178 | -178.3 | 0 | 108.8 | | |
| 796 | V | 35 | Very low | 33.6 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | | | trans | 98.5 | 98.4 | 162.1 | -171.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 797 | K | 34 | Very low | 34 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 79% | 0.787 | 82% | 0.822 | S | S | * | * | | | trans | 62.9 | 110.3 | 138.7 | -62.5 | 177.8 | -177.1 | -177.1 | 0 | 121.2 | | |
| 798 | L | 35.6 | Very low | 33.8 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | | | | 64.4 | 138.7 | 122 | -65.1 | 166.8 | 0 | 0 | 0 | 120 | T800 | L798-T800 PolarHBondContact O-N 3.14Š|
| 799 | P | 31.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 118.8 | 176.3 | 32 | -32.8 | 0 | 0 | 0 | 111.3 | V801 | P799-V801 PolarHBondContact O-N 3.39Š|
| 800 | T | 45.5 | Very low | 34 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71 | 118.9 | 156.2 | 31.4 | 0 | 0 | 0 | 0 | 108.6 | L798 S802 | L798-T800 PolarHBondContact O-N 3.14Å; T800-S802 PolarHBondContact O-N 3.37Å |
| 801 | V | 33.9 | Very low | 34.1 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 125.8 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 108 | P799 G803 | P799-V801 PolarHBondContact O-N 3.39Å; V801-G803 PolarHBondContact O-N 2.77Å |
| 802 | S | 31.2 | Very low | 34.2 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | | | trans | -78 | 113 | 179.4 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | T800 | T800-S802 PolarHBondContact O-N 3.37Š|
| 803 | G | 30.6 | Very low | 34.1 | Very low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | | | trans | -163.4 | 73.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | V801 | V801-G803 PolarHBondContact O-N 2.77Š|
| 804 | D | 37.4 | Very low | 34.6 | Very low | 171 Ų | 171 | 136 Ų | 136 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | | | trans | -168.2 | 144.6 | 134.6 | -88.5 | -27.4 | 0 | 0 | 0 | 108.3 | | |
| 805 | V | 32.2 | Very low | 34.7 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | | | trans | -116.2 | 120.6 | -178.4 | 170.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 806 | D | 36.4 | Very low | 35.4 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | | | trans | -159.4 | 150.3 | 158.3 | -115.1 | -34.6 | 0 | 0 | 0 | 114.8 | | |
| 807 | A | 34.2 | Very low | 35.7 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | | | trans | 42.4 | 81.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 808 | G | 31.2 | Very low | 35.6 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | | 84 | 155.4 | 110.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 809 | L | 34.5 | Very low | 35.6 | Very low | 163 Ų | 163 | 125 Ų | 125 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | 56.5 | 97.5 | 161.1 | -146.3 | 74.4 | 0 | 0 | 0 | 117 | | |
| 810 | D | 33.8 | Very low | 35.9 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | | 73.8 | 149.7 | 60.1 | -162.2 | 29.7 | 0 | 0 | 0 | 115.8 | | |
| 811 | V | 37.6 | Very low | 35.3 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | trans | 67.1 | 105.6 | 176 | -161.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 812 | G | 36.8 | Very low | 35.7 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -163.4 | 18.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | K814 | G812-K814 PolarHBondContact O-N 3.07Š|
| 813 | G | 31.4 | Very low | 35.9 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | -72.5 | 115 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 814 | K | 42.6 | Very low | 36.4 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | -114.6 | 127.2 | 160.1 | -84.2 | -165.1 | 171.1 | -170.1 | 0 | 110.7 | G812 | G812-K814 PolarHBondContact O-N 3.07Š|
| 815 | V | 37.6 | Very low | 36.5 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | | | trans | -111.3 | 99.6 | 178 | 177.7 | 0 | 0 | 0 | 0 | 108 | V817 | V815-V817 HydrophobicContact CG1-CG2 4.11Š|
| 816 | D | 41.5 | Very low | 36.4 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | | | trans | -98 | 97.4 | 174.7 | -76.9 | -60.2 | 0 | 0 | 0 | 110.5 | | |
| 817 | V | 40.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | -135.4 | 123.1 | 171.1 | 179.3 | 0 | 0 | 0 | 0 | 104.6 | V815 | V815-V817 HydrophobicContact CG1-CG2 4.11Š|
| 818 | P | 31.9 | Very low | 36.4 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | cis | -143.1 | 175.4 | 48.8 | 41.5 | -24.7 | 0 | 0 | 0 | 116.1 | | |
| 819 | S | 36.1 | Very low | 36.9 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | | 163.2 | 73.5 | 128.8 | -75.2 | 0 | 0 | 0 | 0 | 112.4 | K821 | S819-K821 PolarHBondContact O-N 2.8Š|
| 820 | V | 38 | Very low | 37.2 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | | | trans | -83.8 | 106.9 | 168.1 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 821 | K | 32 | Very low | 37.3 | Very low | 194 Ų | 194 | 136 Ų | 136 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -137.3 | 96.2 | 169.8 | -77.3 | -172.1 | 177.1 | -178.7 | 0 | 110.5 | S819 | S819-K821 PolarHBondContact O-N 2.8Š|
| 822 | V | 43.6 | Very low | 37.3 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -141.8 | 129.4 | 153.5 | -174.6 | 0 | 0 | 0 | 0 | 106 | | |
| 823 | D | 34.8 | Very low | 37.3 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -74.4 | 153.1 | -164.3 | -63.8 | -82.3 | 0 | 0 | 0 | 114.8 | D825 | D823-D825 PolarHBondContact O-N 3.36Š|
| 824 | V | 40 | Very low | 37.6 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | | | trans | -95.9 | 94.3 | -175.8 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | S826 | V824-S826 WeakPolarHBondContact CG1-OG 3.38Å; V824-S826 PolarHBondContact O-N 3.34Å |
| 825 | D | 39.5 | Very low | 37.2 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | -80.1 | 66.7 | 176.8 | -147.3 | -3.1 | 0 | 0 | 0 | 111.2 | D823 G827 | D823-D825 PolarHBondContact O-N 3.36Å; D825-G827 VanDerWaalsContact C-N 3.34Å; D825-G827 PolarHBondContact O-N 3.16Å |
| 826 | S | 31.3 | Very low | 37.3 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -80.4 | 73.8 | -179 | -79.4 | 0 | 0 | 0 | 0 | 112.3 | V824 | V824-S826 WeakPolarHBondContact CG1-OG 3.38Å; V824-S826 PolarHBondContact O-N 3.34Å |
| 827 | G | 33.9 | Very low | 37 | Very low | 66 Ų | 66 | 148.4 Ų | 148.4 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -109.6 | 59 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | D825 | D825-G827 VanDerWaalsContact C-N 3.34Å; D825-G827 PolarHBondContact O-N 3.16Å |
| 828 | D | 36.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | | | trans | 51.9 | 122.5 | 153.7 | -113 | -20.4 | 0 | 0 | 0 | 122.1 | | |
| 829 | R | 41.4 | Very low | 37.3 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | 67.5 | 65.1 | 143.7 | -60.9 | 159.2 | -153.5 | -175.5 | 17.8 | 120.9 | K831 | R829-K831 PolarHBondContact O-N 3.34Š|
| 830 | V | 40 | Very low | 37.4 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | | | trans | -73.7 | 75.7 | 145.3 | -78.9 | 0 | 0 | 0 | 0 | 111.7 | G832 | V830-G832 PolarHBondContact O-N 3.31Š|
| 831 | K | 36.7 | Very low | 37.4 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -70 | 93.6 | 165.5 | -87 | -171.6 | 176.1 | 178.1 | 0 | 109.4 | R829 K833 | R829-K831 PolarHBondContact O-N 3.34Å; K831-K833 VanDerWaalsContact C-N 3.34Å; K831-K833 PolarHBondContact O-N 3.15Å |
| 832 | G | 36.8 | Very low | 37.7 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -59.9 | 85.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V830 K834 | V830-G832 PolarHBondContact O-N 3.31Å; G832-K834 PolarHBondContact O-N 2.92Å; G832-K834 VanDerWaalsContact O-N 3.09Å |
| 833 | K | 37.7 | Very low | 37.4 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | -69.1 | 104.3 | 169.2 | -81.7 | -173.9 | 175.5 | -179.8 | 0 | 109.2 | K831 F835 | K831-K833 VanDerWaalsContact C-N 3.34Å; K831-K833 PolarHBondContact O-N 3.15Å; K833-F835 PolarHBondContact O-N 3.01Å |
| 834 | K | 37 | Very low | 37.4 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | trans | 16.8 | 94.2 | 148.8 | -170.8 | 175.3 | -176.5 | 177.6 | 0 | 114.4 | G832 H836 | G832-K834 PolarHBondContact O-N 2.92Å; G832-K834 VanDerWaalsContact O-N 3.09Å; K834-H836 PolarHBondContact O-CD2 2.71Å; K834-H836 PolarHBondContact O-N 2.9Å; K834-H836 VanDerWaalsContact O-N 3.14Å |
| 835 | F | 34.5 | Very low | 37.2 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 89% | 0.886 | 76% | 0.763 | S | S | * | * | | | trans | -60 | 115.4 | 170.6 | -97.3 | -109.6 | 0 | 0 | 0 | 110.1 | K833 W837 | K833-F835 PolarHBondContact O-N 3.01Å; F835-W837 VanDerWaalsContact C-N 3.31Å; F835-W837 PolarHBondContact O-N 3.23Å; F835-W837 VanDerWaalsContact O-N 3.16Å |
| 836 | H | 39.2 | Very low | 36.9 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | -80.5 | 82.8 | 164.2 | -81.7 | -116 | 0 | 0 | 0 | 108.1 | K834 S838 | K834-H836 PolarHBondContact O-CD2 2.71Å; K834-H836 PolarHBondContact O-N 2.9Å; K834-H836 VanDerWaalsContact O-N 3.14Å; H836-S838 PolarHBondContact O-N 3.03Å |
| 837 | W | 35.5 | Very low | 37.1 | Very low | 211 Ų | 211 | 147.2 Ų | 147.2 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | -80.3 | 116.5 | 164.8 | 95.6 | -76 | 0 | 0 | 0 | 108.3 | F835 P839 | F835-W837 VanDerWaalsContact C-N 3.31Å; F835-W837 PolarHBondContact O-N 3.23Å; F835-W837 VanDerWaalsContact O-N 3.16Å; W837-P839 HydrophobicContact CZ3-CB 4.23Å |
| 838 | S | 39.1 | Very low | 37.2 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -109.7 | 138.8 | 159.4 | -65.4 | 0 | 0 | 0 | 0 | 106.5 | H836 N840 | H836-S838 PolarHBondContact O-N 3.03Å; S838-N840 PolarHBondContact O-N 3.42Å |
| 839 | P | 38.9 | Very low | 37.1 | Very low | 90 Ų | 90 | 150.5 Ų | 150.5 | 58% | 0.584 | 76% | 0.761 | S | S | * | * | | | trans | -63.7 | 122.6 | -177.5 | 25.5 | -33.7 | 0 | 0 | 0 | 110.3 | W837 I841 | W837-P839 HydrophobicContact CZ3-CB 4.23Å; P839-I841 VanDerWaalsContact C-N 3.31Å; P839-I841 PolarHBondContact O-N 2.97Å |
| 840 | N | 38.3 | Very low | 36.9 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | -75.6 | 83.9 | 174.6 | -176.5 | 16.8 | 0 | 0 | 0 | 109.4 | S838 T842 | S838-N840 PolarHBondContact O-N 3.42Å; N840-T842 WeakPolarHBondContact ND2-CG2 3.48Å; N840-T842 PolarHBondContact O-N 2.92Å; N840-T842 WeakPolarHBondContact OD1-CG2 3.37Å |
| 841 | I | 39 | Very low | 36.8 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | | | trans | -73.8 | 85.3 | 165.9 | -58.8 | -178 | 0 | 0 | 0 | 107.1 | P839 L843 | P839-I841 VanDerWaalsContact C-N 3.31Å; P839-I841 PolarHBondContact O-N 2.97Å; I841-L843 VanDerWaalsContact C-N 3.35Å; I841-L843 PolarHBondContact O-N 3.3Å |
| 842 | T | 38.3 | Very low | 36.6 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 58% | 0.577 | 74% | 0.743 | S | S | * | * | | | trans | -65.5 | 97 | 166.2 | 50.9 | 0 | 0 | 0 | 0 | 108.4 | N840 S844 | N840-T842 WeakPolarHBondContact ND2-CG2 3.48Å; N840-T842 PolarHBondContact O-N 2.92Å; N840-T842 WeakPolarHBondContact OD1-CG2 3.37Å; T842-S844 VanDerWaalsContact C-N 3.28Å; T842-S844 PolarHBondContact O-N 3.03Å |
| 843 | L | 37.3 | Very low | 36.5 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | | | trans | -62.1 | 99.4 | 155.2 | -91 | 160.7 | 0 | 0 | 0 | 107.1 | I841 K845 | I841-L843 VanDerWaalsContact C-N 3.35Å; I841-L843 PolarHBondContact O-N 3.3Å; L843-K845 PolarHBondContact O-N 3.48Å |
| 844 | S | 35.6 | Very low | 36.3 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | -50.7 | 126.9 | 171.7 | -68.7 | 0 | 0 | 0 | 0 | 108.6 | T842 L846 | T842-S844 VanDerWaalsContact C-N 3.28Å; T842-S844 PolarHBondContact O-N 3.03Å; S844-L846 PolarHBondContact O-N 3.02Å |
| 845 | K | 35 | Very low | 36.3 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 88% | 0.878 | 74% | 0.741 | S | S | * | * | | | trans | -67.4 | 81.4 | -178.6 | -66.3 | 175.8 | 178.8 | 176.9 | 0 | 110.2 | L843 K847 | L843-K845 PolarHBondContact O-N 3.48Å; K845-K847 PolarHBondContact O-N 3.41Å |
| 846 | L | 32.5 | Very low | 36.4 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -70.5 | 88.9 | 163.7 | -166.5 | 74.6 | 0 | 0 | 0 | 107.4 | S844 V848 | S844-L846 PolarHBondContact O-N 3.02Å; L846-V848 VanDerWaalsContact C-N 3.26Å; L846-V848 HydrophobicContact CD2-CG2 4.17Å; L846-V848 HydrophobicContact CG-CG2 4.41Å; L846-V848 PolarHBondContact O-N 2.89Å |
| 847 | K | 35.3 | Very low | 36.2 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | | | trans | -60 | 96.2 | 157.8 | -80.3 | -174.2 | 167.3 | -166.4 | 0 | 107.1 | K845 H849 | K845-K847 PolarHBondContact O-N 3.41Å; K847-H849 PolarHBondContact O-N 3.29Å |
| 848 | V | 37.2 | Very low | 36.3 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | | | trans | -73 | 108.8 | 146.7 | -180 | 0 | 0 | 0 | 0 | 104.7 | L846 G850 | L846-V848 VanDerWaalsContact C-N 3.26Å; L846-V848 HydrophobicContact CD2-CG2 4.17Å; L846-V848 HydrophobicContact CG-CG2 4.41Å; L846-V848 PolarHBondContact O-N 2.89Å; V848-G850 PolarHBondContact O-N 2.71Å |
| 849 | H | 33.5 | Very low | 36 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 61% | 0.611 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 127.5 | 165.8 | -130.2 | -90.2 | 0 | 0 | 0 | 106.7 | K847 | K847-H849 PolarHBondContact O-N 3.29Š|
| 850 | G | 37.6 | Very low | 35.9 | Very low | 56 Ų | 56 | 135.3 Ų | 135.3 | 58% | 0.577 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 132.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107 | V848 D852 | V848-G850 PolarHBondContact O-N 2.71Å; G850-D852 PolarHBondContact O-N 2.82Å |
| 851 | P | 38.4 | Very low | 35.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 120.2 | -178 | 27.3 | -32.8 | 0 | 0 | 0 | 109.9 | V853 | P851-V853 PolarHBondContact O-N 3.46Š|
| 852 | D | 33 | Very low | 35.5 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121.9 | 143.9 | -69.5 | -64.6 | 0 | 0 | 0 | 107.4 | G850 | G850-D852 PolarHBondContact O-N 2.82Š|
| 853 | V | 34.4 | Very low | 35.5 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | | -158.4 | 116.7 | 119.2 | 169.1 | 0 | 0 | 0 | 0 | 107.7 | P851 G855 | P851-V853 PolarHBondContact O-N 3.46Å; V853-G855 PolarHBondContact O-N 2.77Å |
| 854 | S | 31.9 | Very low | 35.2 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -73.2 | 88.9 | 163.8 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | K856 | S854-K856 PolarHBondContact O-N 3Š|
| 855 | G | 38.4 | Very low | 35.3 | Very low | 70 Ų | 70 | 141.1 Ų | 141.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | -75 | 110.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V853 | V853-G855 PolarHBondContact O-N 2.77Š|
| 856 | K | 36.5 | Very low | 35.1 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | | | trans | -71.8 | 156.9 | 171.8 | -94.8 | -170.7 | 177.2 | -177.4 | 0 | 111.2 | S854 H858 | S854-K856 PolarHBondContact O-N 3Å; K856-H858 PolarHBondContact O-N 3.09Å; K856-H858 VanDerWaalsContact O-N 3.09Å |
| 857 | L | 35.2 | Very low | 35.2 | Very low | 174 Ų | 174 | 135 Ų | 135 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | | | trans | -28 | 107.9 | 161.1 | -73.3 | 160.7 | 0 | 0 | 0 | 113.4 | | |
| 858 | H | 36.9 | Very low | 35.1 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | | | trans | -128.2 | 162.5 | 141.6 | -135.3 | -90.8 | 0 | 0 | 0 | 107.9 | K856 | K856-H858 PolarHBondContact O-N 3.09Å; K856-H858 VanDerWaalsContact O-N 3.09Å |
| 859 | A | 32.5 | Very low | 34.8 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | | | trans | -77.6 | 173.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 860 | D | 37.4 | Very low | 34.7 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | 69 | 112.6 | 164.8 | -54.2 | -43.4 | 0 | 0 | 0 | 116.8 | | |
| 861 | A | 32.1 | Very low | 34.4 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | | 86.7 | 139.2 | 50.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 862 | R | 37 | Very low | 34 | Very low | 247 Ų | 247 | 131.7 Ų | 131.7 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | | | trans | 72.1 | 132.6 | -167 | -50.1 | 177.7 | -174 | -168.9 | 1.9 | 113 | | |
| 863 | N | 37.6 | Very low | 34 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | cis | -149.1 | 173.4 | -15.8 | -155.8 | 5.1 | 0 | 0 | 0 | 111.1 | | |
| 864 | L | 31.5 | Very low | 33.6 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -45.1 | 167.7 | 174.1 | -67.1 | 163.1 | 0 | 0 | 0 | 116.2 | | |
| 865 | N | 37 | Very low | 33.3 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | | | trans | 92.9 | 70 | 153.3 | -148.8 | 30.1 | 0 | 0 | 0 | 117.5 | N867 | N865-N867 VanDerWaalsContact C-N 3.26Å; N865-N867 PolarHBondContact O-N 3.16Å |
| 866 | S | 31.4 | Very low | 33 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -52.4 | 93.1 | 132.5 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | V868 | S866-V868 PolarHBondContact O-N 3.29Š|
| 867 | N | 33.8 | Very low | 32.5 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 61% | 0.61 | 76% | 0.761 | S | S | * | * | | | trans | -78.2 | 73.8 | 172 | -160.7 | 23.3 | 0 | 0 | 0 | 110.8 | N865 T869 | N865-N867 VanDerWaalsContact C-N 3.26Å; N865-N867 PolarHBondContact O-N 3.16Å; N867-T869 PolarHBondContact O-N 2.98Å; N867-T869 VanDerWaalsContact O-N 3.08Å; N867-T869 PolarHBondContact O-OG1 2.8Å |
| 868 | V | 33.5 | Very low | 32.4 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | trans | 28.8 | 72.1 | 144.4 | -166.2 | 0 | 0 | 0 | 0 | 114.9 | S866 | S866-V868 PolarHBondContact O-N 3.29Š|
| 869 | T | 31.5 | Very low | 32.1 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | | | trans | -143.7 | 104 | 174.9 | 32.1 | 0 | 0 | 0 | 0 | 108.8 | N867 | N867-T869 PolarHBondContact O-N 2.98Å; N867-T869 VanDerWaalsContact O-N 3.08Å; N867-T869 PolarHBondContact O-OG1 2.8Å |
| 870 | G | 31.4 | Very low | 31.9 | Very low | 53 Ų | 53 | 136 Ų | 136 | 55% | 0.546 | 74% | 0.744 | S | S | . | * | | | cis | -162.6 | -175 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 871 | T | 31.3 | Very low | 31.6 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | | 48.6 | 115.6 | 121.4 | 59.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 872 | S | 28.9 | Very low | 31.6 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | cis | 51.8 | 128.9 | 20.2 | 90.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 873 | E | 33.2 | Very low | 31.3 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | | | cis | -117.2 | 159.5 | 12.3 | -89.5 | 92.1 | -103.4 | 0 | 0 | 111.3 | | |
| 874 | L | 27.5 | Very low | 30.9 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | | | | 58 | 124.9 | 68.7 | -63.7 | 172.1 | 0 | 0 | 0 | 116.1 | | |
| 875 | Y | 25.9 | Very low | 31 | Very low | 214 Ų | 214 | 126.7 Ų | 126.7 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | | | trans | 72.2 | 176.3 | 163.5 | -112.1 | -101.2 | 0 | 0 | 0 | 120.5 | | |
| 876 | N | 30.9 | Very low | 30.8 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | trans | -81 | 160.1 | -156.1 | -77.7 | -60.3 | 0 | 0 | 0 | 115.6 | V878 | N876-V878 PolarHBondContact O-N 2.96Å; N876-V878 VanDerWaalsContact O-N 3.11Å |
| 877 | C | 25.9 | Very low | 30.8 | Very low | 118 Ų | 118 | 128 Ų | 128 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -65.9 | 107.7 | 161.9 | -167.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 878 | V | 33.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 65% | 0.648 | 72% | 0.722 | S | S | * | * | | | trans | 56.9 | 106.4 | 138.4 | -179.8 | 0 | 0 | 0 | 0 | 117.4 | N876 S880 | N876-V878 PolarHBondContact O-N 2.96Å; N876-V878 VanDerWaalsContact O-N 3.11Å; V878-S880 PolarHBondContact O-N 3.43Å |
| 879 | Y | 30.5 | Very low | 30.3 | Very low | 227 Ų | 227 | 126 Ų | 126 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -77.7 | 106.7 | 139.6 | -175.7 | -93.8 | 0 | 0 | 0 | 109.2 | | |
| 880 | S | 28.6 | Very low | 30.4 | Very low | 70 Ų | 70 | 124.7 Ų | 124.7 | 49% | 0.49 | 71% | 0.706 | S | S | . | * | | | trans | 47.8 | 132.6 | 157.2 | -63.8 | 0 | 0 | 0 | 0 | 122.5 | V878 | V878-S880 PolarHBondContact O-N 3.43Š|
| 881 | S | 30.4 | Very low | 30.4 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | | | trans | 80.6 | 157.2 | 154.7 | -17.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 882 | M | 32.7 | Very low | 30.4 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | | | cis | -141.2 | 146.1 | 6.8 | -92.4 | -161.9 | -177.5 | 0 | 0 | 113.2 | | |
| 883 | I | 30.7 | Very low | 30.4 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | | | trans | 57.2 | 112.5 | 134.7 | -57.4 | 174.9 | 0 | 0 | 0 | 120.4 | | |
| 884 | S | 29.6 | Very low | 30.4 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | | | trans | 68.2 | 172.2 | 144.2 | 93.4 | 0 | 0 | 0 | 0 | 118 | | |
| 885 | S | 32.8 | Very low | 30.5 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | | | cis | -126.9 | 117.7 | -1.4 | -87.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 886 | F | 32 | Very low | 30.7 | Very low | 188 Ų | 188 | 123.6 Ų | 123.6 | 83% | 0.825 | 70% | 0.701 | S | S | * | * | | | trans | 51.1 | 144 | 140.6 | -77.7 | -96.2 | 0 | 0 | 0 | 121.3 | | |
| 887 | P | 32.2 | Very low | 30.5 | Very low | 69 Ų | 69 | 123 Ų | 123 | 45% | 0.448 | 70% | 0.697 | S | S | . | * | | | trans | -75.7 | -178 | 162.7 | 39.9 | -37.6 | 0 | 0 | 0 | 108.9 | M1338 | P887-M1338 HydrophobicContact CB-CE 4.38Š|
| 888 | S | 28.9 | Very low | 30.9 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | | | | -156.9 | 126.7 | 106.1 | 56.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 889 | S | 28.5 | Very low | 30.8 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | | | cis | 56.7 | 144.1 | 45.9 | 98.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 890 | V | 31.7 | Very low | 30.8 | Very low | 113 Ų | 113 | 111.6 Ų | 111.6 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | | | cis | -170.2 | -155.9 | 7.4 | 87.7 | 0 | 0 | 0 | 0 | 102.4 | | |
| 891 | D | 32 | Very low | 31 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | | | trans | 68.1 | 138.7 | 164 | -69.4 | -16.5 | 0 | 0 | 0 | 117.3 | | |
| 892 | N | 31.1 | Very low | 31 | Very low | 127 Ų | 127 | 115.6 Ų | 115.6 | 68% | 0.679 | 67% | 0.67 | S | S | * | * | | | cis | -143.7 | 162.3 | -12.3 | -127 | -34.9 | 0 | 0 | 0 | 116.2 | | |
| 893 | S | 29.8 | Very low | 31.2 | Very low | 79 Ų | 79 | 116.9 Ų | 116.9 | 55% | 0.552 | 68% | 0.679 | S | S | * | * | | | trans | -41.1 | 139.2 | 173.1 | 54.1 | 0 | 0 | 0 | 0 | 115 | S895 | S893-S895 PolarHBondContact O-N 3.04Š|
| 894 | P | 33.2 | Very low | 31 | Very low | 135 Ų | 135 | 115.2 Ų | 115.2 | 88% | 0.877 | 68% | 0.68 | S | S | * | * | | | trans | -76.1 | 117.1 | 172.8 | 31.4 | -33.1 | 0 | 0 | 0 | 111.2 | | |
| 895 | S | 29.3 | Very low | 31.1 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | | | trans | -168.2 | 126.7 | -178 | 126.6 | 0 | 0 | 0 | 0 | 108.8 | S893 | S893-S895 PolarHBondContact O-N 3.04Š|
| 896 | Y | 30.3 | Very low | 30.9 | Very low | 221 Ų | 221 | 119.6 Ų | 119.6 | 87% | 0.867 | 69% | 0.689 | S | S | * | * | | | cis | -137.4 | 157.5 | -7.3 | -95.5 | -84.3 | 0 | 0 | 0 | 110.5 | | |
| 897 | I | 27.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 62% | 0.621 | 69% | 0.689 | S | S | * | * | | | trans | -76.3 | 146.2 | 163.2 | -69.8 | 167.9 | 0 | 0 | 0 | 108.5 | P1406 | I897-P1406 HydrophobicContact CG2-CB 3.83Å; I897-P1406 HydrophobicContact CG2-CG 3.19Å |
| 898 | L | 32.3 | Very low | 30.5 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 53% | 0.534 | 70% | 0.703 | S | S | . | * | | | trans | 176.5 | 153.2 | 131.3 | -98 | 174.1 | 0 | 0 | 0 | 115.7 | P1406 K1408 | L898-P1406 WeakPolarHBondContact CD2-O 3.15Å; L898-K1408 WeakPolarHBondContact CD1-OXT 3.43Å |
| 899 | S | 33.3 | Very low | 30.4 | Very low | 72 Ų | 72 | 126.6 Ų | 126.6 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | | | trans | 83 | 126.1 | 163.4 | -58.7 | 0 | 0 | 0 | 0 | 118.7 | P1406 | S899-P1406 WeakPolarHBondContact CA-O 3.21Å; S899-P1406 PolarHBondContact N-O 2.91Å |
| 900 | D | 31.1 | Very low | 30.4 | Very low | 40 Ų | 40 | 127 Ų | 127 | 21% | 0.214 | 71% | 0.71 | C | S | . | * | | | trans | -98.6 | 166.1 | 176 | -38.2 | -38.3 | 0 | 0 | 0 | 109.9 | L1405 P1406 H1407 | D900-L1405 VanDerWaalsContact OD1-CB 3.25Å; D900-L1405 WeakPolarHBondContact OD1-CB 3.13Å; D900-L1405 VanDerWaalsContact OD2-C 3.29Å; D900-P1406 WeakPolarHBondContact OD1-CD 3.46Å; D900-H1407 PolarHBondContact N-CE1 3.08Å; D900-H1407 VanDerWaalsContact N-CE1 3.26Å; D900-H1407 PolarHBondContact N-NE2 2.73Å; D900-H1407 PolarHBondContact O-CE1 3.3Å; D900-H1407 PolarHBondContact O-NE2 2.9Å; D900-H1407 VanDerWaalsContact O-NE2 3.09Å; D900-H1407 IonicContact OD2-CD2 3.28Å; D900-H1407 PolarHBondContact OD2-CD2 3.28Å; D900-H1407 VanDerWaalsContact OD2-CD2 3.28Å; D900-H1407 IonicContact OD2-CG 3.83Å; D900-H1407 PolarHBondContact OD2-N 2.7Å; D900-H1407 VanDerWaalsContact OD2-N 3.13Å |
| 901 | C | 32.6 | Very low | 30.4 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 86% | 0.858 | 72% | 0.721 | S | S | * | * | | | trans | -165.2 | 135.6 | 142.9 | -105.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 902 | C | 30.2 | Very low | 30.3 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | | | trans | -111.9 | 114.2 | 177.8 | -67 | 0 | 0 | 0 | 0 | 110 | | |
| 903 | L | 35.5 | Very low | 30.4 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 97% | 0.969 | 73% | 0.732 | S | S | * | * | | | trans | -143.3 | 160.8 | 152.9 | -88.2 | 178.1 | 0 | 0 | 0 | 108.4 | | |
| 904 | S | 28.3 | Very low | 30.4 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | -129.9 | 173.9 | -166.7 | 63.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 905 | S | 30.5 | Very low | 30.4 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | trans | 62.8 | 85.4 | 157.9 | 45.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 906 | E | 28.2 | Very low | 30.2 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | | 30.1 | 114.4 | 121.5 | -60 | 176.2 | 164.6 | 0 | 0 | 118.5 | | |
| 907 | F | 27.3 | Very low | 30 | Very low | 189 Ų | 189 | 128.8 Ų | 128.8 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | | | trans | -148.1 | 137.1 | 141.9 | -147.2 | -118 | 0 | 0 | 0 | 113.1 | | |
| 908 | L | 29.6 | Very low | 30 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | 35.2 | 126.2 | 168.6 | -66.5 | -179 | 0 | 0 | 0 | 122.5 | | |
| 909 | Q | 27 | Very low | 29.7 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -91.4 | 130.7 | 157.9 | -167.2 | 165.6 | -5.9 | 0 | 0 | 109 | | |
| 910 | S | 28 | Very low | 29.6 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | 163.2 | 117 | 144.1 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 911 | Y | 32.2 | Very low | 29.4 | Very low | 232 Ų | 232 | 137.8 Ų | 137.8 | 91% | 0.91 | 81% | 0.807 | S | S | * | * | | | | 177.9 | 141.7 | 123.6 | -103.9 | -73 | 0 | 0 | 0 | 109.2 | | |
| 912 | A | 28.4 | Very low | 29.4 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -138.9 | 150.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 913 | P | 34.4 | Very low | 29.6 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | | -139.3 | -163.5 | 91.5 | 37.6 | -21.9 | 0 | 0 | 0 | 112.9 | | |
| 914 | A | 28.6 | Very low | 29.3 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -122.7 | 150.1 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 915 | S | 33.1 | Very low | 29.3 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -167 | 135.8 | 151.2 | 21.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 916 | V | 26.2 | Very low | 29.1 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | cis | 101.3 | 119.7 | 18.4 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 917 | V | 25.6 | Very low | 29 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | trans | 72.9 | 149 | -175.6 | -172.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 918 | V | 26.8 | Very low | 29.1 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | | -171.2 | 134.1 | -59.4 | 131.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 919 | V | 27.1 | Very low | 29 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | 53.1 | 95.6 | 156.2 | -179.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 920 | S | 30.1 | Very low | 29 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | | 58.8 | 109.5 | 112.8 | -45.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 921 | D | 27.3 | Very low | 29.1 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -77.5 | 126.1 | 165.1 | -85.5 | -53.5 | 0 | 0 | 0 | 114.3 | | |
| 922 | A | 33 | Very low | 29.1 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -155.5 | 59.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 923 | G | 33.7 | Very low | 29.4 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -81.1 | 153 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 924 | I | 30.8 | Very low | 29.2 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -92.9 | -175 | -178.8 | -13.6 | 177 | 0 | 0 | 0 | 111.6 | | |
| 925 | T | 27.7 | Very low | 29.4 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -71.9 | 150 | -170.3 | 49 | 0 | 0 | 0 | 0 | 116.6 | | |
| 926 | S | 25.4 | Very low | 29.2 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | 100.3 | 153.9 | 144.2 | 81.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 927 | T | 27.5 | Very low | 29.3 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | 82.1 | 121.2 | 169.8 | 64.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 928 | M | 27.7 | Very low | 29.3 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 96% | 0.961 | 79% | 0.786 | S | S | * | * | | | trans | 48.7 | 132 | 147.3 | -56.8 | -56.7 | -175 | 0 | 0 | 121.9 | | |
| 929 | G | 28.1 | Very low | 29.6 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 147.5 | 93.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 930 | T | 27.4 | Very low | 29.6 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | -43.5 | 153.2 | 151.3 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 931 | F | 30.7 | Very low | 30 | Very low | 186 Ų | 186 | 128 Ų | 128 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | cis | -152.7 | 153.7 | 18.4 | -107.1 | -66.9 | 0 | 0 | 0 | 111.6 | | |
| 932 | S | 31.7 | Very low | 30.2 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | 30.1 | 153.6 | 144.9 | -63 | 0 | 0 | 0 | 0 | 124.8 | | |
| 933 | P | 34.3 | Very low | 30.2 | Very low | 105 Ų | 105 | 131 Ų | 131 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | | | trans | -94.8 | 164.4 | -161.2 | 38.5 | -38.3 | 0 | 0 | 0 | 116.2 | V935 | P933-V935 PolarHBondContact O-N 3.04Š|
| 934 | P | 30.9 | Very low | 30.1 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -79.5 | 116.2 | 172.8 | 31.9 | -33.4 | 0 | 0 | 0 | 112.4 | | |
| 935 | V | 32.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | -119.5 | 97.6 | 162.8 | -180 | 0 | 0 | 0 | 0 | 108.2 | P933 | P933-V935 PolarHBondContact O-N 3.04Š|
| 936 | F | 27.6 | Very low | 30.7 | Very low | 213 Ų | 213 | 136.6 Ų | 136.6 | 93% | 0.934 | 80% | 0.801 | S | S | * | * | | | trans | -113.9 | 94.5 | 172.7 | -122.5 | -81.6 | 0 | 0 | 0 | 108.9 | | |
| 937 | S | 28.4 | Very low | 31.3 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | trans | -98.4 | 135.9 | 168.9 | 36.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 938 | S | 26.9 | Very low | 31.5 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -60.5 | 157.9 | 166.8 | 34.8 | 0 | 0 | 0 | 0 | 111 | | |
| 939 | P | 33.3 | Very low | 31.6 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | cis | -132.5 | -177.2 | 33.3 | 39.8 | -21.7 | 0 | 0 | 0 | 117 | | |
| 940 | T | 27.4 | Very low | 31.7 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -103.2 | -173.7 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 111 | | |
| 941 | P | 37.4 | Very low | 32.1 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | | | | -123.9 | 179.1 | -89.1 | 36.9 | -19.6 | 0 | 0 | 0 | 113.3 | | |
| 942 | T | 32.7 | Very low | 32.2 | Very low | 148 Ų | 148 | 138 Ų | 138 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | | | trans | -143.6 | 154.1 | 163.8 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 943 | E | 33.1 | Very low | 32.2 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | -75.2 | 160.1 | -160 | -80.9 | 179.9 | 116.7 | 0 | 0 | 116.3 | | |
| 944 | P | 30.7 | Very low | 32.3 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -86.6 | 156.1 | -174.5 | 35.7 | -36.7 | 0 | 0 | 0 | 113.8 | | |
| 945 | L | 36.5 | Very low | 32.5 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | | | trans | -135.9 | 145.1 | 158.6 | -72.3 | 176.4 | 0 | 0 | 0 | 109.7 | | |
| 946 | E | 33.8 | Very low | 32.5 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | trans | -88.2 | 160.8 | -172.5 | -77.3 | -173.2 | 147 | 0 | 0 | 113.6 | | |
| 947 | P | 38.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | -89.2 | 145.4 | -170.2 | 34.9 | -35.2 | 0 | 0 | 0 | 113.9 | | |
| 948 | V | 32 | Very low | 32.8 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -141.5 | 142 | 161 | -176 | 0 | 0 | 0 | 0 | 108.9 | | |
| 949 | D | 29.7 | Very low | 32.9 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | trans | -69.3 | -173.7 | 178.5 | -60.7 | -83 | 0 | 0 | 0 | 114.8 | | |
| 950 | L | 30.9 | Very low | 32.7 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | 99.8 | 107.9 | 159.3 | -50.6 | 177.8 | 0 | 0 | 0 | 117.2 | | |
| 951 | L | 35.1 | Very low | 32.9 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | 10.3 | 143.2 | 130.2 | -54.7 | 179 | 0 | 0 | 0 | 116.7 | | |
| 952 | P | 32.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | | | | -159.2 | -162.3 | 56.9 | 35.2 | -8.9 | 0 | 0 | 0 | 118.2 | | |
| 953 | V | 31.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 139 Ų | 139 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | trans | 86 | 148.1 | 154.6 | -140.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 954 | V | 36.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | 70.7 | 118.1 | 166.8 | -163.9 | 0 | 0 | 0 | 0 | 116 | | |
| 955 | E | 34.1 | Very low | 32.8 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | cis | 178.7 | 159.9 | -26.5 | -110.7 | 170 | 172.8 | 0 | 0 | 105.3 | | |
| 956 | E | 33.5 | Very low | 32.3 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | -51.2 | 150.9 | 172.3 | -91.7 | -179.9 | -135.8 | 0 | 0 | 113.9 | | |
| 957 | P | 35.5 | Very low | 32.2 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | | -147 | 139.5 | 68.6 | 34.2 | -13.1 | 0 | 0 | 0 | 119.2 | | |
| 958 | L | 27.5 | Very low | 31.7 | Very low | 130 Ų | 130 | 132 Ų | 132 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | | | | 54.9 | 140.9 | 127.9 | -50.2 | 175.9 | 0 | 0 | 0 | 119.4 | | |
| 959 | I | 28.9 | Very low | 31.6 | Very low | 128 Ų | 128 | 132 Ų | 132 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | cis | -155.9 | 123 | -0.7 | -110.5 | 160.5 | 0 | 0 | 0 | 102.9 | | |
| 960 | S | 28.7 | Very low | 31.5 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | | | | 56.6 | 160.5 | 80.5 | 100.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 961 | P | 31.4 | Very low | 31.6 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | | | cis | -128.7 | -147 | -10.2 | 34.6 | -12.6 | 0 | 0 | 0 | 111.6 | | |
| 962 | F | 34 | Very low | 31.6 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 80% | 0.803 | 72% | 0.724 | S | S | * | * | | | trans | 68 | 75.4 | 179.1 | -60.5 | -69.6 | 0 | 0 | 0 | 114.8 | | |
| 963 | S | 24.7 | Very low | 32 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | | | | 80 | 128.3 | 54.5 | 91.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 964 | S | 36.6 | Very low | 32.5 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | trans | -55.4 | 162.6 | 156.9 | 58 | 0 | 0 | 0 | 0 | 110.6 | | |
| 965 | P | 35.8 | Very low | 32.4 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | | | | -130.9 | 157.2 | 69.2 | 45.6 | -32.1 | 0 | 0 | 0 | 111 | | |
| 966 | E | 27.3 | Very low | 32.4 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | | 40.6 | 120.2 | 70.9 | -69.8 | -176.3 | 155.1 | 0 | 0 | 112.7 | | |
| 967 | F | 31.5 | Very low | 32.7 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | | | trans | -173 | 139.5 | 131.4 | -123.1 | -99.6 | 0 | 0 | 0 | 110.3 | | |
| 968 | C | 28 | Very low | 32.4 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 55% | 0.554 | 75% | 0.748 | S | S | * | * | | | trans | 29.7 | 113.7 | 155.6 | -70.7 | 0 | 0 | 0 | 0 | 121 | | |
| 969 | D | 30.1 | Very low | 33.4 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | | 70.3 | 134.9 | 112.9 | -50.1 | -31.2 | 0 | 0 | 0 | 121.8 | | |
| 970 | S | 27.9 | Very low | 33.3 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | 81.8 | 136.1 | 151.6 | 75.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 971 | S | 32.1 | Very low | 33.5 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | 61.5 | 92.3 | 161 | 48.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 972 | T | 35.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | | 44.7 | 103.4 | 119.9 | -40.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 973 | L | 39.8 | Very low | 33.3 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -73.1 | 131.8 | 159.1 | -59.7 | 163.7 | 0 | 0 | 0 | 109.3 | | |
| 974 | P | 42.4 | Very low | 33.8 | Very low | 103 Ų | 103 | 146 Ų | 146 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | | -156.6 | 142 | 92.2 | 37.3 | -17.2 | 0 | 0 | 0 | 118 | | |
| 975 | S | 36 | Very low | 33.9 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 67.7 | 153.8 | 159.3 | 86.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 976 | R | 32.9 | Very low | 33.6 | Very low | 239 Ų | 239 | 150.1 Ų | 150.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | cis | -152.5 | 129.8 | -6.6 | -135.7 | 170.2 | -172.2 | 153.2 | 0.5 | 108.2 | | |
| 977 | I | 40.9 | Very low | 34 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | trans | -87.2 | 139.2 | -172.5 | -68.2 | 173.3 | 0 | 0 | 0 | 112.2 | | |
| 978 | L | 28.7 | Very low | 34.1 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -105.7 | 160.8 | 163.6 | -91.7 | -179.5 | 0 | 0 | 0 | 110.7 | | |
| 979 | P | 48.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | | | trans | -86.3 | 174.6 | -166.2 | 37.2 | -38.5 | 0 | 0 | 0 | 113.4 | | |
| 980 | R | 26.8 | Very low | 35 | Very low | 244 Ų | 244 | 152.1 Ų | 152.1 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -154.8 | 139.7 | 155 | -117 | 162.1 | 179.7 | 155.3 | -3.1 | 112.7 | | |
| 981 | N | 33.2 | Very low | 35.5 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -81.9 | 168.4 | 158.6 | -69.3 | -33.2 | 0 | 0 | 0 | 109.2 | | |
| 982 | A | 31.3 | Very low | 35.7 | Very low | 84 Ų | 84 | 152.2 Ų | 152.2 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -75.5 | 164.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 983 | F | 30.6 | Very low | 35.9 | Very low | 206 Ų | 206 | 151.3 Ų | 151.3 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | 85.4 | 135 | -176.1 | -65.1 | -84.8 | 0 | 0 | 0 | 117.4 | | |
| 984 | Q | 34.2 | Very low | 35.9 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | 75.3 | 81.4 | 173.1 | -62.8 | -174 | -48.5 | 0 | 0 | 119.3 | | |
| 985 | D | 38.9 | Very low | 35.8 | Very low | 137 Ų | 137 | 151 Ų | 151 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | | 49 | 115.9 | 109.9 | -48 | -32.7 | 0 | 0 | 0 | 123.1 | | |
| 986 | I | 29.7 | Very low | 36 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | | | trans | 78.6 | 155.3 | 132.1 | -60.4 | 170.9 | 0 | 0 | 0 | 119.9 | | |
| 987 | D | 34.8 | Very low | 36.1 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | 65 | 129.9 | -174.9 | -56.2 | -27.3 | 0 | 0 | 0 | 116.2 | | |
| 988 | E | 34.6 | Very low | 36 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | cis | 100.8 | 115.3 | 23.2 | -69.7 | -151.6 | 170.3 | 0 | 0 | 117.1 | | |
| 989 | S | 39.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | 117.2 | 132.5 | 153.3 | -48.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 990 | F | 36.1 | Very low | 35.7 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | 86.8 | 120.9 | 155.7 | -61.6 | -69.3 | 0 | 0 | 0 | 125.7 | | |
| 991 | S | 39.4 | Very low | 36 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 43.1 | 139.6 | 146.1 | 52.4 | 0 | 0 | 0 | 0 | 123.8 | | |
| 992 | S | 35 | Very low | 35.9 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | cis | 82.7 | 155.2 | 28.3 | 82.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 993 | P | 39.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | cis | -142.7 | -162.6 | 0.7 | 32.7 | -5.8 | 0 | 0 | 0 | 118.1 | | |
| 994 | V | 41.5 | Very low | 36 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | trans | 110.1 | 121.7 | 150.5 | -172.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 995 | D | 38.9 | Very low | 36 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | 12.6 | 162.7 | 146.9 | -49.5 | -23.1 | 0 | 0 | 0 | 123.7 | | |
| 996 | S | 39.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | cis | -176.6 | -175.4 | -20.1 | 63 | 0 | 0 | 0 | 0 | 107.1 | | |
| 997 | G | 36 | Very low | 35.6 | Very low | 63 Ų | 63 | 131.7 Ų | 131.7 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | | | cis | 165.8 | 161.7 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 998 | F | 38.7 | Very low | 35.5 | Very low | 202 Ų | 202 | 134 Ų | 134 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | | | trans | 65.7 | 163.1 | 176 | -88.9 | -114 | 0 | 0 | 0 | 119 | | |
| 999 | N | 36.2 | Very low | 35.3 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | | -173.3 | 122.8 | -54.8 | -113.4 | -10.9 | 0 | 0 | 0 | 112 | | |
| 1000 | G | 33.9 | Very low | 34.7 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | trans | 59.9 | -176.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1001 | D | 33.6 | Very low | 34.3 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | cis | 179.5 | 150.1 | -39.8 | -112.9 | -39.6 | 0 | 0 | 0 | 108.9 | | |
| 1002 | I | 30.8 | Very low | 34.1 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | | | trans | 57.9 | 137.2 | 146.6 | -65.3 | 168.3 | 0 | 0 | 0 | 118.4 | | |
| 1003 | S | 31.3 | Very low | 33.8 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | | | cis | -178.7 | 170.2 | -11.5 | 60.2 | 0 | 0 | 0 | 0 | 110 | | |
| 1004 | N | 33.2 | Very low | 33.4 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 73.9 | 152.7 | 147.9 | -69.5 | 11.8 | 0 | 0 | 0 | 121.8 | | |
| 1005 | D | 34.4 | Very low | 33.1 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | 49.4 | 108.2 | 151.5 | -47.6 | -20.1 | 0 | 0 | 0 | 118 | | |
| 1006 | E | 29.8 | Very low | 32.5 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | | 67.8 | 121.5 | 79.8 | -78.8 | -155 | 178.7 | 0 | 0 | 115.2 | | |
| 1007 | V | 29 | Very low | 32.3 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 59.6 | 102.2 | 165.8 | -171.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1008 | E | 33.9 | Very low | 31.9 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | | | | -142.6 | 151.7 | 119.3 | -130.8 | 167.4 | -164 | 0 | 0 | 111.2 | | |
| 1009 | I | 29.8 | Very low | 31.5 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | | | trans | -90.8 | 174.6 | 179 | -67.6 | 168.1 | 0 | 0 | 0 | 107.9 | | |
| 1010 | D | 28.4 | Very low | 31.2 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -33 | 139.4 | 168.6 | -51.8 | -84.8 | 0 | 0 | 0 | 112.6 | | |
| 1011 | E | 27.4 | Very low | 31.1 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | | -159.6 | 124.6 | 73 | -85.4 | 175.2 | 175.6 | 0 | 0 | 115.1 | | |
| 1012 | I | 34.5 | Very low | 31 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | | 33.8 | 96.8 | 124.4 | -47.1 | 169.2 | 0 | 0 | 0 | 116.7 | | |
| 1013 | F | 28.5 | Very low | 30.9 | Very low | 187 Ų | 187 | 148 Ų | 148 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | | | trans | -145.9 | 150.6 | 166.1 | -108.7 | -77.6 | 0 | 0 | 0 | 116.8 | | |
| 1014 | I | 32 | Very low | 31 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | 72.9 | 105.4 | 166.8 | -58.5 | 167.1 | 0 | 0 | 0 | 116.2 | P1016 | I1014-P1016 HydrophobicContact CG2-CG 3.93Š|
| 1015 | V | 34.9 | Very low | 30.9 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | | | trans | -114.5 | 102.9 | 171 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1016 | P | 27.6 | Very low | 30.8 | Very low | 92 Ų | 92 | 153 Ų | 153 | 60% | 0.597 | 78% | 0.777 | S | S | * | * | | | trans | -126.6 | 171.6 | 169.7 | 36.4 | -20 | 0 | 0 | 0 | 113 | I1014 | I1014-P1016 HydrophobicContact CG2-CG 3.93Š|
| 1017 | I | 34.4 | Very low | 30.9 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | trans | 69.9 | 88.6 | -165.8 | -50.4 | 176.8 | 0 | 0 | 0 | 109.9 | | |
| 1018 | Q | 28.2 | Very low | 30.8 | Very low | 180 Ų | 180 | 154.5 Ų | 154.5 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | cis | 52.4 | 85.4 | 36.4 | -64.5 | -167 | -3.1 | 0 | 0 | 114.1 | | |
| 1019 | T | 29.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | | -163.7 | 121.5 | 127.4 | 10.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1020 | N | 30.6 | Very low | 30.6 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 45.8 | 79.7 | 140.1 | -58.1 | -18.1 | 0 | 0 | 0 | 119.6 | | |
| 1021 | R | 32.2 | Very low | 30.7 | Very low | 235 Ų | 235 | 154.3 Ų | 154.3 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | | | | -162.8 | 128.7 | 94.7 | -104.4 | 164.5 | 174.5 | 152 | -0.5 | 113.9 | | |
| 1022 | V | 30.6 | Very low | 31.1 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | | | | 43 | 99.8 | 126.9 | -177.1 | 0 | 0 | 0 | 0 | 115 | | |
| 1023 | L | 29 | Very low | 31 | Very low | 144 Ų | 144 | 152 Ų | 152 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | | 62.1 | 142 | 85.8 | -66.3 | 167 | 0 | 0 | 0 | 114.2 | | |
| 1024 | P | 34.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | | | cis | -112.1 | 164.4 | -10.6 | 46.1 | -34.3 | 0 | 0 | 0 | 109.7 | | |
| 1025 | K | 29.3 | Very low | 31.4 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | | | | 46.5 | 111.8 | 62.8 | -72.9 | -173.5 | 177.1 | -174.6 | 0 | 113.7 | | |
| 1026 | E | 32.6 | Very low | 31.5 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | | -169.5 | 152.8 | 113 | -106.8 | 158.1 | -153.2 | 0 | 0 | 111.9 | | |
| 1027 | Q | 33.1 | Very low | 31.8 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | -116.2 | 128.7 | -179.6 | -147 | -178.8 | -4.9 | 0 | 0 | 106.1 | | |
| 1028 | Y | 25.9 | Very low | 31.8 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 73% | 0.725 | 76% | 0.76 | S | S | * | * | | | trans | 59.6 | 87.1 | 177.7 | -51.7 | -71.7 | 0 | 0 | 0 | 116.3 | T1030 | Y1028-T1030 PolarHBondContact O-N 3.48Š|
| 1029 | F | 28.4 | Very low | 31.8 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -71.2 | 88.7 | 147.9 | -107.4 | -82.2 | 0 | 0 | 0 | 109.3 | | |
| 1030 | T | 31.7 | Very low | 32 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | | | trans | -108 | 132.2 | 154.5 | 41.8 | 0 | 0 | 0 | 0 | 108.1 | Y1028 | Y1028-T1030 PolarHBondContact O-N 3.48Š|
| 1031 | E | 31.1 | Very low | 32.3 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | trans | 68.8 | 82.9 | 167.6 | -54.7 | -172.4 | 133.7 | 0 | 0 | 118.6 | | |
| 1032 | S | 33.8 | Very low | 32 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | | | trans | -167.1 | 130.4 | 134 | 9.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1033 | Q | 34.2 | Very low | 32.3 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | cis | 63.2 | 73.6 | 45.7 | -63.3 | -167.1 | -29.3 | 0 | 0 | 113.6 | | |
| 1034 | D | 37 | Very low | 32.4 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | | -167.5 | 128.6 | 112.6 | -86.2 | -22.9 | 0 | 0 | 0 | 107 | | |
| 1035 | I | 32 | Very low | 32.1 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | | | cis | 64.1 | 89.5 | 47.3 | -51.4 | 179.5 | 0 | 0 | 0 | 111.9 | | |
| 1036 | L | 36.1 | Very low | 32.3 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | | | trans | 164.3 | 140.5 | 146.8 | -88.8 | 173.7 | 0 | 0 | 0 | 107.6 | | |
| 1037 | A | 33.4 | Very low | 32.7 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | | | cis | -162.5 | 91.7 | -24.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1038 | A | 33.8 | Very low | 32.7 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | trans | -158.6 | 101.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | | |
| 1039 | E | 28.3 | Very low | 33.1 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | | | cis | 57.6 | 48.4 | 25.4 | -64.1 | -158.5 | 169.1 | 0 | 0 | 113.2 | | |
| 1040 | A | 35.4 | Very low | 33.3 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | -139.8 | 101.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1041 | E | 35.3 | Very low | 33.5 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | trans | 43.1 | 98.3 | 159.9 | -51.4 | -163.8 | 168.9 | 0 | 0 | 117.8 | | |
| 1042 | E | 26 | Very low | 33.5 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | | | | 78.6 | 139.4 | 50.9 | -158.1 | -136.2 | 139.4 | 0 | 0 | 114.5 | | |
| 1043 | K | 38 | Very low | 33.4 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | trans | 78.6 | 132.3 | 174.9 | -48.2 | 178.2 | -177.2 | 71.8 | 0 | 115.6 | | |
| 1044 | S | 31.3 | Very low | 33.2 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | -162.4 | 112.3 | -9.3 | 174.8 | 0 | 0 | 0 | 0 | 108 | | |
| 1045 | Y | 27.6 | Very low | 33.2 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | | | | 88.8 | 129.3 | 71.2 | -95.6 | -63.5 | 0 | 0 | 0 | 116.4 | | |
| 1046 | H | 33.2 | Very low | 33.3 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 73% | 0.731 | 75% | 0.753 | S | S | * | * | | | trans | 67.6 | 109.6 | 159.1 | -71.3 | -64.8 | 0 | 0 | 0 | 122.9 | | |
| 1047 | P | 40.4 | Very low | 33 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | | | trans | -93.3 | 177.5 | 139.8 | 38.7 | -32.3 | 0 | 0 | 0 | 112.1 | | |
| 1048 | A | 34 | Very low | 32.8 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | | | trans | 66 | 158.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1049 | E | 34.1 | Very low | 32.8 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | cis | -165.6 | 152.9 | -45.4 | -136.7 | -175.4 | -136.2 | 0 | 0 | 108.8 | | |
| 1050 | N | 33.4 | Very low | 33.1 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | | | trans | 66.8 | 138.4 | 158.2 | -81.8 | -60.4 | 0 | 0 | 0 | 123.6 | | |
| 1051 | L | 34.4 | Very low | 32.8 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 66.7 | 98.8 | 147.3 | -66.5 | 166.7 | 0 | 0 | 0 | 123 | | |
| 1052 | D | 31.1 | Very low | 32.8 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | | | | 65.9 | 159.9 | 121.7 | -110 | -39.8 | 0 | 0 | 0 | 124.4 | | |
| 1053 | A | 31.7 | Very low | 33 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | | | trans | 75.4 | 91.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1054 | S | 30.5 | Very low | 32.6 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | | 91.6 | 150.2 | 116.7 | 82.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1055 | H | 37.1 | Very low | 32.6 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | | | trans | 65.3 | 142.3 | 161.4 | -62.6 | -67.2 | 0 | 0 | 0 | 121.7 | | |
| 1056 | G | 34.4 | Very low | 32.7 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | 107.9 | 103.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1057 | I | 29.8 | Very low | 32.7 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | cis | 84.3 | 111.5 | 37.9 | -54.7 | 179.2 | 0 | 0 | 0 | 113.9 | | |
| 1058 | K | 28.3 | Very low | 32 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | trans | 62.4 | 85.3 | 163.1 | -67.1 | 172 | -177.8 | 177.8 | 0 | 119.4 | | |
| 1059 | S | 34.3 | Very low | 32 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | | -155.1 | 153.8 | 120.7 | 48 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1060 | D | 34.8 | Very low | 31.8 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -87.9 | 114 | -169.4 | -61.8 | -65.6 | 0 | 0 | 0 | 111 | | |
| 1061 | K | 30.2 | Very low | 31.5 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | | 56.8 | 109.9 | 73.3 | -62.4 | 177.6 | -179.7 | 177.2 | 0 | 110.7 | | |
| 1062 | T | 33.8 | Very low | 31.4 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | cis | -158.2 | 144.1 | 47.1 | 39 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1063 | K | 31.4 | Very low | 31.2 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | 47.4 | 114.9 | 143.6 | -59.5 | -179.7 | 179.8 | -177.7 | 0 | 118.3 | | |
| 1064 | L | 29.9 | Very low | 31 | Very low | 157 Ų | 157 | 153 Ų | 153 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | | 53.8 | 127.1 | 59.4 | -54.6 | 165.4 | 0 | 0 | 0 | 112.5 | | |
| 1065 | H | 30.8 | Very low | 31 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | cis | -158.2 | 151.3 | 12.5 | -165.9 | -97.2 | 0 | 0 | 0 | 111.9 | | |
| 1066 | S | 28.6 | Very low | 30.8 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | 67.8 | 167 | 169 | 78.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1067 | P | 34.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 156.9 Ų | 156.9 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -86 | 146.3 | -143 | 33.1 | -37.7 | 0 | 0 | 0 | 115.8 | | |
| 1068 | F | 25.6 | Very low | 30.7 | Very low | 207 Ų | 207 | 157 Ų | 157 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | | | trans | -134 | 138.5 | 160.5 | -101.9 | -90.1 | 0 | 0 | 0 | 111.1 | | |
| 1069 | H | 33.6 | Very low | 31.2 | Very low | 199 Ų | 199 | 154.2 Ų | 154.2 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | | | trans | -71.9 | 140.7 | -177.1 | -93.7 | -84.6 | 0 | 0 | 0 | 113 | | |
| 1070 | I | 30.2 | Very low | 31.2 | Very low | 148 Ų | 148 | 153.8 Ų | 153.8 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | -105 | 124.5 | 173.2 | -83.3 | 175.5 | 0 | 0 | 0 | 110.6 | | |
| 1071 | F | 26.5 | Very low | 31.2 | Very low | 187 Ų | 187 | 151.9 Ų | 151.9 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | | | trans | 40 | 110.2 | 151.5 | -73.8 | -108 | 0 | 0 | 0 | 120.5 | | |
| 1072 | K | 31.8 | Very low | 31.5 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | | 177.4 | 151.6 | 112.2 | -93.2 | 159.1 | -174.1 | 176.3 | 0 | 109.7 | | |
| 1073 | S | 26.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 155.5 Ų | 155.5 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | cis | -176.6 | 147 | -32.9 | 51.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1074 | K | 28.7 | Very low | 31.8 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | 73.6 | 102.3 | 163.9 | -65.4 | 178.3 | 177.2 | 176.6 | 0 | 119.8 | | |
| 1075 | K | 29.5 | Very low | 32 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | | 89.4 | 95.2 | 107.1 | -163 | -163.6 | -177.4 | -161.5 | 0 | 119.3 | | |
| 1076 | H | 33 | Very low | 31.9 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | | | | 162.9 | 154.6 | 123.4 | -90 | -80.2 | 0 | 0 | 0 | 107.5 | | |
| 1077 | E | 29.1 | Very low | 32 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | | | cis | -171.1 | 142.8 | -31.8 | 172.1 | 171.8 | 168.7 | 0 | 0 | 107.8 | | |
| 1078 | K | 33.2 | Very low | 32 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | trans | 68 | 127.5 | 163.5 | -80.9 | 168.3 | -178 | 142.9 | 0 | 121.8 | | |
| 1079 | D | 39 | Very low | 32.2 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | 69.2 | 138.1 | 132.3 | -50.8 | -15.9 | 0 | 0 | 0 | 121.2 | | |
| 1080 | S | 34.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | | | cis | -156 | 108.5 | -13.3 | 167.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1081 | V | 33.7 | Very low | 32.5 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | | | trans | 44.1 | 138.2 | 131.6 | -151.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1082 | H | 37.9 | Very low | 32.8 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | | | trans | 119.1 | 124.5 | 154.7 | -64 | 95.2 | 0 | 0 | 0 | 114.1 | | |
| 1083 | R | 36 | Very low | 32.8 | Very low | 222 Ų | 222 | 140.4 Ų | 140.4 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | | | | 75.4 | 138 | 54.6 | -86.1 | -172.2 | 157.6 | -172.5 | -4.7 | 112.8 | | |
| 1084 | V | 34.2 | Very low | 33 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | | | cis | -165.4 | 171.4 | -13.8 | 93.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1085 | K | 34.3 | Very low | 33.2 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | | | trans | 21.3 | 122.3 | 162.3 | -63.3 | 178.4 | -178.7 | -174.7 | 0 | 119.5 | | |
| 1086 | V | 29.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | | | | 74.2 | 104.1 | 66.9 | 174.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1087 | I | 30.4 | Very low | 33.3 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | | | trans | 81.6 | 124.7 | 148 | -70.4 | 171.2 | 0 | 0 | 0 | 120.9 | | |
| 1088 | D | 33.6 | Very low | 33.7 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | 67.5 | 140.4 | 151.8 | -89 | -49 | 0 | 0 | 0 | 127.1 | | |
| 1089 | A | 29.3 | Very low | 33.8 | Very low | 73 Ų | 73 | 144.1 Ų | 144.1 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | | | trans | 48.8 | 127.4 | 140 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1090 | N | 35.2 | Very low | 33.7 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | 44.1 | 96 | 132.6 | -56.7 | -7.6 | 0 | 0 | 0 | 119.1 | | |
| 1091 | D | 35.6 | Very low | 33.6 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | | | | -151.9 | 134.9 | 103 | -94.8 | -31.7 | 0 | 0 | 0 | 107.7 | | |
| 1092 | Q | 33.6 | Very low | 33.7 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | | 68 | 158.4 | 63.8 | -65.4 | -159.7 | 96.7 | 0 | 0 | 114.9 | | |
| 1093 | I | 31.2 | Very low | 33.4 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | | | trans | 64.6 | 82 | 172.5 | -55 | 128.1 | 0 | 0 | 0 | 112.4 | | |
| 1094 | S | 31.4 | Very low | 33.2 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | | 70.8 | 124.4 | 81.4 | -178.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1095 | R | 32.6 | Very low | 33.1 | Very low | 216 Ų | 216 | 140.3 Ų | 140.3 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | | | trans | -168.3 | 156.2 | 140.4 | -98.8 | 144.4 | -139.9 | -149.4 | 2.6 | 110.5 | | |
| 1096 | N | 36.5 | Very low | 32.8 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | | | trans | 57.4 | 75.8 | 170 | -55.8 | 9.7 | 0 | 0 | 0 | 112.1 | | |
| 1097 | T | 28.4 | Very low | 32.8 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | | | cis | 58.9 | 85 | 35.7 | -43.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1098 | E | 36.4 | Very low | 32.7 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | | | trans | -149.1 | 122.2 | 134.8 | -125.1 | 167.3 | -165.6 | 0 | 0 | 110.4 | | |
| 1099 | K | 36.4 | Very low | 32.7 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | | | trans | -102 | 131.8 | 151.9 | -71.4 | -177.5 | 176.1 | -176.8 | 0 | 104.2 | | |
| 1100 | P | 37.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | | | | -129.9 | 150.9 | 88.2 | 36.8 | -27.9 | 0 | 0 | 0 | 112.5 | | |
| 1101 | N | 32.6 | Very low | 33.1 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | cis | 83 | 139 | 24.7 | -160.9 | 39.4 | 0 | 0 | 0 | 115.2 | | |
| 1102 | V | 34.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | | | trans | 67.6 | 93 | 175.9 | -161.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1103 | D | 32.3 | Very low | 32.9 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | | | | 27.8 | 141.8 | 119.7 | -42.5 | -40.5 | 0 | 0 | 0 | 121.4 | | |
| 1104 | N | 30.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | trans | 72.3 | 153.7 | 163.4 | -48.5 | -56.2 | 0 | 0 | 0 | 114.9 | | |
| 1105 | T | 32 | Very low | 33.1 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | | | cis | -142.6 | 165 | 17.7 | -41.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1106 | H | 29 | Very low | 32.9 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -46.6 | 141.1 | 160.5 | -70.1 | -112.4 | 0 | 0 | 0 | 111.6 | | |
| 1107 | H | 30.6 | Very low | 32.8 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | | | | -164.6 | 133.4 | 116 | -93.8 | -49.1 | 0 | 0 | 0 | 112.8 | | |
| 1108 | S | 27.8 | Very low | 33 | Very low | 86 Ų | 86 | 143 Ų | 143 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | | | | 47.8 | 126.3 | 125.7 | -44.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1109 | I | 34.3 | Very low | 32.7 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | | 60.3 | 126.5 | 60 | -59 | 171.3 | 0 | 0 | 0 | 110.5 | | |
| 1110 | P | 39.2 | Very low | 32.4 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | | | cis | -129.9 | -146.9 | 24.2 | 36.7 | -15 | 0 | 0 | 0 | 114.3 | | |
| 1111 | D | 33.6 | Very low | 32.1 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | 87 | 124.7 | 166.8 | -58.4 | -19.7 | 0 | 0 | 0 | 118.1 | | |
| 1112 | G | 28.5 | Very low | 31.8 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | | | cis | 176.8 | 175.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1113 | T | 35.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 96% | 0.963 | 76% | 0.764 | S | S | * | * | | | trans | 58.6 | 133 | 174.5 | 58.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1114 | G | 31.5 | Very low | 31.5 | Very low | 66 Ų | 66 | 140.7 Ų | 140.7 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | | | cis | 161.6 | 170.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1115 | R | 34.4 | Very low | 31.4 | Very low | 243 Ų | 243 | 143 Ų | 143 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | | | trans | 69.3 | 97.9 | 179.7 | -54.4 | 175 | 179.4 | 171.1 | 0.8 | 113 | | |
| 1116 | N | 29.6 | Very low | 31.2 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | | 45.3 | 113.9 | 60.9 | -69.6 | -36 | 0 | 0 | 0 | 115.1 | | |
| 1117 | K | 33.7 | Very low | 31.4 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | | -164.8 | 124.9 | 124.2 | -106.6 | 175.5 | -177.6 | -177.3 | 0 | 112.6 | | |
| 1118 | V | 33 | Very low | 31.2 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | 47 | 122 | 142.3 | -173.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1119 | G | 30.7 | Very low | 31.7 | Very low | 66 Ų | 66 | 144.1 Ų | 144.1 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | cis | 140.3 | -179.3 | -13.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1120 | S | 29.4 | Very low | 31.8 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | 76.6 | 114.9 | 160.1 | 77.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1121 | K | 30.6 | Very low | 31.5 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | 77.9 | 150 | 141.9 | -58.8 | 155 | -174 | 169.3 | 0 | 119.2 | | |
| 1122 | S | 27.5 | Very low | 31.3 | Very low | 76 Ų | 76 | 150.4 Ų | 150.4 | 53% | 0.531 | 78% | 0.782 | S | S | . | * | | | cis | -175.6 | 151.7 | -25.8 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1123 | K | 29.4 | Very low | 31.7 | Very low | 194 Ų | 194 | 153.4 Ų | 153.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | 70.5 | 148.9 | 166 | -47.1 | 148.7 | -173 | 173.5 | 0 | 112.9 | | |
| 1124 | K | 31 | Very low | 31.5 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | cis | -124.8 | 146.6 | 9.6 | -84.1 | 165.6 | 179 | 166.3 | 0 | 108.9 | | |
| 1125 | K | 28.2 | Very low | 31.5 | Very low | 194 Ų | 194 | 158.8 Ų | 158.8 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | | 53.8 | 139 | 77.1 | -84 | -166.2 | 177.2 | -173.2 | 0 | 114.3 | | |
| 1126 | V | 27.9 | Very low | 31.3 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | cis | -176.2 | 170.4 | -19.8 | 104.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1127 | K | 33.2 | Very low | 31.2 | Very low | 176 Ų | 176 | 150 Ų | 150 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | | | trans | 81.5 | 131 | -177.5 | -57.5 | 170.7 | -179.9 | -179.1 | 0 | 114.1 | | |
| 1128 | S | 26.4 | Very low | 31 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | cis | 87.6 | 96.6 | 19 | 88.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1129 | H | 38.7 | Very low | 30.8 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | -144.3 | 165.8 | 148.6 | -88.8 | -68.8 | 0 | 0 | 0 | 110.9 | | |
| 1130 | H | 36.2 | Very low | 30.9 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | | | trans | -73.4 | 156.8 | -149.8 | -62.7 | -60.1 | 0 | 0 | 0 | 120.4 | | |
| 1131 | K | 33.3 | Very low | 31.1 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | trans | 65.3 | 116.5 | 136.3 | -74.6 | 171.7 | -178.4 | -174.8 | 0 | 121.4 | | |
| 1132 | K | 29.4 | Very low | 31.3 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | trans | -68.2 | 170.6 | 143.1 | -66.6 | -177 | 176.3 | -176.4 | 0 | 110.1 | | |
| 1133 | P | 35.9 | Very low | 31.3 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | cis | -127 | -152.2 | 10.8 | 35.5 | -11 | 0 | 0 | 0 | 111.7 | | |
| 1134 | R | 31.4 | Very low | 31.4 | Very low | 214 Ų | 214 | 148.1 Ų | 148.1 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | cis | -158.4 | 119.7 | 8.3 | -156.5 | -172.6 | 172 | 178.5 | -1.8 | 113.4 | | |
| 1135 | I | 31.7 | Very low | 31.8 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 62% | 0.621 | 77% | 0.77 | S | S | * | * | | | trans | 53.7 | 118.5 | 138 | -61.4 | 176.8 | 0 | 0 | 0 | 121.6 | | |
| 1136 | F | 30.5 | Very low | 32.1 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | trans | 54 | 145.5 | 144.8 | -74.1 | -122.6 | 0 | 0 | 0 | 120.7 | L65 | L65-F1136 HydrophobicContact CB-CE2 4.32Å; L65-F1136 HydrophobicContact CB-CZ 4.05Å |
| 1137 | G | 27.7 | Very low | 32.1 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | | | cis | -132.5 | 174.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1138 | G | 29.4 | Very low | 32.2 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | cis | 109.4 | 127.5 | 20.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1139 | Q | 29.3 | Very low | 32.4 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | | | cis | -159.8 | 134.9 | 2.8 | -160.3 | 177.1 | 18.2 | 0 | 0 | 108.9 | | |
| 1140 | V | 32.5 | Very low | 32.6 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | trans | -141.6 | 123.8 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1141 | S | 33.1 | Very low | 32.4 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | trans | -83.3 | 115.5 | 170.3 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1142 | T | 33.6 | Very low | 32.4 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | | 61.4 | 98.2 | 81.9 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1143 | N | 29.2 | Very low | 32.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | trans | -81.9 | 174.7 | 167.2 | -65.4 | -1.6 | 0 | 0 | 0 | 112.1 | | |
| 1144 | E | 31 | Very low | 32.6 | Very low | 158 Ų | 158 | 131 Ų | 131 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | 64 | 124.7 | 147.3 | -71.9 | 145.1 | -121.1 | 0 | 0 | 119.4 | | |
| 1145 | I | 39.4 | Very low | 32.6 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 82% | 0.821 | 70% | 0.704 | S | S | * | * | | | | -170.9 | 110.3 | 109.8 | -91.1 | 154 | 0 | 0 | 0 | 110.7 | | |
| 1146 | I | 35.3 | Very low | 32.5 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | | | trans | 28.7 | 105.6 | 133.9 | -54 | 178 | 0 | 0 | 0 | 119.2 | | |
| 1147 | S | 27.5 | Very low | 32.4 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 60% | 0.601 | 70% | 0.696 | S | S | * | * | | | trans | 33.7 | 161.7 | 132.8 | 72.8 | 0 | 0 | 0 | 0 | 125.7 | | |
| 1148 | D | 34.4 | Very low | 32.7 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | | | trans | 78.4 | 132.5 | 152 | -59.9 | -41.6 | 0 | 0 | 0 | 120 | | |
| 1149 | T | 31.2 | Very low | 33 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 68% | 0.679 | S | S | * | * | | | cis | -144 | -145.7 | -12.2 | 38 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1150 | P | 43.1 | Very low | 33.2 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 67% | 0.667 | S | S | * | * | | | | -117.1 | 157.9 | -108.2 | 37.1 | -20.1 | 0 | 0 | 0 | 115.3 | | |
| 1151 | M | 31.6 | Very low | 32.9 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | | | trans | -146.8 | 126.1 | 165.6 | -120.1 | -169.8 | -175.3 | 0 | 0 | 115.3 | | |
| 1152 | K | 34.4 | Very low | 32.8 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 65% | 0.648 | 67% | 0.669 | S | S | * | * | | | trans | 48.2 | 113.5 | 151.1 | -68.4 | -178.6 | 176.4 | -174.6 | 0 | 120.6 | | |
| 1153 | L | 30.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | | | trans | -60.8 | 137.7 | 151.5 | -178.3 | 160.7 | 0 | 0 | 0 | 110.3 | H1155 | L1153-H1155 WeakPolarHBondContact CD2-CE1 3.42Š|
| 1154 | D | 37 | Very low | 32.6 | Very low | 58 Ų | 58 | 124.2 Ų | 124.2 | 31% | 0.31 | 64% | 0.638 | S | S | . | * | | | trans | -164.3 | 127.4 | -175.6 | -108.7 | -2 | 0 | 0 | 0 | 106.7 | C48 K49 K50 | C48-D1154 VanDerWaalsContact C-CG 3.45Å; C48-D1154 HydrophobicContact CB-CB 4.5Å; C48-D1154 WeakPolarHBondContact CB-OD1 3.22Å; C48-D1154 CarbonylContact O-C 3.01Å; C48-D1154 WeakPolarHBondContact O-CA 3.11Å; C48-D1154 WeakPolarHBondContact O-CB 3.23Å; C48-D1154 PolarHBondContact SG-OD1 3.01Å; K49-D1154 WeakPolarHBondContact CA-OD2 3.17Å; K49-D1154 PolarHBondContact N-OD2 3.07Å; K50-D1154 PolarHBondContact N-OD2 2.88Å |
| 1155 | H | 31.4 | Very low | 32.5 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 45% | 0.454 | 64% | 0.638 | S | S | . | * | | | trans | -105.8 | -132.6 | -166.4 | -37.3 | 67.1 | 0 | 0 | 0 | 114.6 | P46 E47 C48 L1153 | P46-H1155 WeakPolarHBondContact O-CB 3.4Å; P46-H1155 PolarHBondContact O-CD2 3.49Å; P46-H1155 PolarHBondContact O-ND1 3.14Å; E47-H1155 VanDerWaalsContact C-N 3.32Å; E47-H1155 WeakPolarHBondContact O-CB 2.88Å; E47-H1155 PolarHBondContact O-N 3.11Å; E47-H1155 PolarHBondContact O-ND1 3.5Å; C48-H1155 CarbonylContact O-C 3.46Å; C48-H1155 PolarHBondContact O-N 2.91Å; L1153-H1155 WeakPolarHBondContact CD2-CE1 3.42Å |
| 1156 | H | 31.2 | Very low | 32 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 43% | 0.431 | 61% | 0.611 | S | S | . | * | | | trans | 75.1 | 85.8 | 172.3 | -103.4 | -46.6 | 0 | 0 | 0 | 117.9 | D45 E47 C48 | D45-H1156 PolarHBondContact O-CE1 2.84Å; D45-H1156 PolarHBondContact O-ND1 2.87Å; D45-H1156 VanDerWaalsContact OD2-CA 3.27Å; D45-H1156 WeakPolarHBondContact OD2-CA 3.26Å; D45-H1156 PolarHBondContact OD2-N 3.43Å; E47-H1156 WeakPolarHBondContact CA-CD2 3.16Å; E47-H1156 PolarHBondContact N-CD2 3.37Å; E47-H1156 PolarHBondContact N-NE2 3.39Å; C48-H1156 PolarHBondContact N-CD2 3.21Å |
| 1157 | E | 28 | Very low | 31.5 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 67% | 0.668 | 61% | 0.614 | S | S | * | * | | | trans | -61.9 | 152.9 | 132.8 | -55.8 | -175.9 | 161.1 | 0 | 0 | 111.7 | D45 | D45-E1157 HydrophobicContact CB-CB 3.71Å; D45-E1157 HydrophobicContact CB-CG 4.21Å; D45-E1157 PolarHBondContact OD2-N 3.46Å |
| 1158 | D | 32.8 | Very low | 31.6 | Very low | 58 Ų | 58 | 118.6 Ų | 118.6 | 31% | 0.31 | 61% | 0.608 | S | S | . | * | | | trans | 163.9 | 99.8 | 135.1 | -93.7 | -10.5 | 0 | 0 | 0 | 109.5 | L43 | L43-D1158 WeakPolarHBondContact CD2-OD1 3.22Š|
| 1159 | Y | 36 | Very low | 31.5 | Very low | 228 Ų | 228 | 118.1 Ų | 118.1 | 89% | 0.894 | 61% | 0.605 | S | S | * | * | | | trans | -155 | 89.7 | 157.3 | -103.3 | -65.5 | 0 | 0 | 0 | 112.1 | | |
| 1160 | H | 33 | Very low | 31.4 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | | | trans | 12.3 | 120.1 | 148.9 | -67.3 | -81.6 | 0 | 0 | 0 | 119.2 | L43 | L43-H1160 WeakPolarHBondContact CD1-CE1 3.2Å; L43-H1160 WeakPolarHBondContact CD1-ND1 3.23Å |
| 1161 | D | 28 | Very low | 30.8 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 83% | 0.834 | 60% | 0.601 | S | S | * | * | | | trans | -51.4 | 138.8 | 137.5 | -91.7 | -51.2 | 0 | 0 | 0 | 110.6 | | |
| 1162 | V | 31 | Very low | 30.7 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 72% | 0.715 | 60% | 0.599 | S | S | * | * | | | | -178.2 | 106.8 | 128.8 | 160.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1163 | I | 29.3 | Very low | 30.7 | Very low | 134 Ų | 134 | 118 Ų | 118 | 69% | 0.687 | 60% | 0.603 | S | S | * | * | | | trans | 39.9 | 107.8 | 142.7 | -46.1 | 173.2 | 0 | 0 | 0 | 119.3 | E399 K400 L1165 | E399-I1163 CarbonylContact O-C 3.41Å; K400-I1163 CarbonylContact O-C 3.51Å; I1163-L1165 HydrophobicContact CG2-CD1 4.49Å; I1163-L1165 HydrophobicContact CG2-CG 4.33Å |
| 1164 | G | 27.9 | Very low | 30.5 | Very low | 15 Ų | 15 | 118.2 Ų | 118.2 | 16% | 0.155 | 60% | 0.604 | C | S | . | * | | | trans | -155.2 | 127.2 | 144 | 0 | 0 | 0 | 0 | 0 | 112.2 | K400 K401 V402 S1166 | K400-G1164 VanDerWaalsContact C-CA 3.46Å; K400-G1164 VanDerWaalsContact O-CA 3.22Å; K400-G1164 WeakPolarHBondContact O-CA 3.12Å; K400-G1164 PolarHBondContact O-N 3.03Å; K401-G1164 CarbonylContact C-O 3.48Å; K401-G1164 WeakPolarHBondContact CA-O 3.05Å; K401-G1164 PolarHBondContact N-O 3.28Å; V402-G1164 PolarHBondContact N-O 3.38Å; G1164-S1166 VanDerWaalsContact C-N 3.25Å; G1164-S1166 PolarHBondContact O-N 2.83Å |
| 1165 | L | 28.5 | Very low | 29.9 | Very low | 143 Ų | 143 | 120.6 Ų | 120.6 | 75% | 0.749 | 62% | 0.621 | S | S | * | * | | | | 49.3 | 45.9 | 57.5 | -50.1 | -174.3 | 0 | 0 | 0 | 112.4 | I1163 F1167 | I1163-L1165 HydrophobicContact CG2-CD1 4.49Å; I1163-L1165 HydrophobicContact CG2-CG 4.33Å; L1165-F1167 PolarHBondContact O-N 3.06Å |
| 1166 | S | 29.4 | Very low | 29.7 | Very low | 35 Ų | 35 | 123 Ų | 123 | 25% | 0.245 | 64% | 0.636 | C | S | . | * | | | trans | -68.8 | 108 | 153.1 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | K403 G1164 | K403-S1166 VanDerWaalsContact CE-OG 3.31Å; K403-S1166 WeakPolarHBondContact CE-OG 3.1Å; K403-S1166 PolarHBondContact NZ-OG 2.95Å; G1164-S1166 VanDerWaalsContact C-N 3.25Å; G1164-S1166 PolarHBondContact O-N 2.83Å |
| 1167 | F | 25.7 | Very low | 29.4 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 83% | 0.829 | 64% | 0.644 | S | S | * | * | | | trans | -52 | 150.4 | 159.3 | -66.2 | -97.4 | 0 | 0 | 0 | 110.6 | K403 L1165 | K403-F1167 PolarHBondContact NZ-O 3.44Å; L1165-F1167 PolarHBondContact O-N 3.06Å |
| 1168 | S | 29.9 | Very low | 29.3 | Very low | 67 Ų | 67 | 122.5 Ų | 122.5 | 47% | 0.469 | 65% | 0.652 | S | S | . | * | | | trans | -165.2 | 129.1 | 159.5 | -95.4 | 0 | 0 | 0 | 0 | 106.9 | K403 | K403-S1168 PolarHBondContact NZ-OG 2.97Š|
| 1169 | D | 31.6 | Very low | 28.9 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 68% | 0.684 | 68% | 0.678 | S | S | * | * | | | | 41.9 | 130.9 | 113.8 | -27.5 | -45.3 | 0 | 0 | 0 | 117.6 | | |
| 1170 | H | 28.9 | Very low | 28.4 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | | | cis | -175 | 149.4 | -9.5 | -129.9 | -84.6 | 0 | 0 | 0 | 105.6 | | |
| 1171 | N | 30.2 | Very low | 28 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | | | trans | 66 | 163.3 | 169.4 | -42.2 | -21.8 | 0 | 0 | 0 | 113.7 | | |
| 1172 | T | 30.4 | Very low | 28 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | | | cis | -153.6 | 146 | -23.9 | 12.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1173 | D | 32.8 | Very low | 27.8 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | | | trans | 59.2 | 121.3 | 178.5 | -59 | -36.5 | 0 | 0 | 0 | 116.2 | | |
| 1174 | L | 27.1 | Very low | 27.7 | Very low | 142 Ų | 142 | 131 Ų | 131 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | | | | 59.9 | 120.7 | 60 | -52.6 | 175.1 | 0 | 0 | 0 | 110.7 | | |
| 1175 | T | 25.5 | Very low | 27.6 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | | | cis | -163.3 | 154.7 | 6.6 | 2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1176 | L | 26.5 | Very low | 27.6 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | | | trans | 54 | 134.9 | 146.2 | -59.7 | 169.6 | 0 | 0 | 0 | 119.6 | | |
| 1177 | T | 25.8 | Very low | 27.6 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | | | cis | -165.9 | 144.7 | -16.2 | 6.2 | 0 | 0 | 0 | 0 | 106.8 | R1179 | T1177-R1179 VanDerWaalsContact C-N 3.33Å; T1177-R1179 PolarHBondContact O-N 2.97Å |
| 1178 | P | 25.1 | Very low | 27.7 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | | | trans | -73.4 | 82.3 | 174.7 | 30.3 | -35 | 0 | 0 | 0 | 111.5 | R1180 | P1178-R1180 VanDerWaalsContact C-N 3.28Å; P1178-R1180 PolarHBondContact O-N 2.95Å |
| 1179 | R | 24.8 | Very low | 27.7 | Very low | 228 Ų | 228 | 143.3 Ų | 143.3 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | trans | -73.7 | 82.8 | 172.1 | -84.7 | -168 | 174.6 | -179.3 | 0.6 | 111.4 | T1177 S1181 | T1177-R1179 VanDerWaalsContact C-N 3.33Å; T1177-R1179 PolarHBondContact O-N 2.97Å; R1179-S1181 PolarHBondContact O-N 2.93Å |
| 1180 | R | 25.7 | Very low | 27.6 | Very low | 233 Ų | 233 | 143.3 Ų | 143.3 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | 15 | 103.8 | 134 | -166.3 | -178 | -155.8 | 164 | 6.4 | 113.8 | P1178 P1182 | P1178-R1180 VanDerWaalsContact C-N 3.28Å; P1178-R1180 PolarHBondContact O-N 2.95Å; R1180-P1182 VanDerWaalsContact O-CD 3.23Å; R1180-P1182 WeakPolarHBondContact O-CD 3.23Å |
| 1181 | S | 25 | Very low | 27.4 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | -53.3 | 115.5 | -175.2 | 36.7 | 0 | 0 | 0 | 0 | 113.4 | R1179 | R1179-S1181 PolarHBondContact O-N 2.93Š|
| 1182 | P | 27.9 | Very low | 27.1 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | | | trans | -78 | 139.6 | 166.1 | -9.1 | 27.5 | 0 | 0 | 0 | 110 | R1180 | R1180-P1182 VanDerWaalsContact O-CD 3.23Å; R1180-P1182 WeakPolarHBondContact O-CD 3.23Å |
| 1183 | S | 26.6 | Very low | 27 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -34.4 | 138.8 | 158.2 | 46.7 | 0 | 0 | 0 | 0 | 114 | L1185 | S1183-L1185 PolarHBondContact O-N 3.18Š|
| 1184 | K | 25.8 | Very low | 26.6 | Very low | 217 Ų | 217 | 153.4 Ų | 153.4 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | | | trans | -62.9 | 79.7 | 154.9 | -71.7 | -179.7 | 176.5 | 179.3 | 0 | 109.3 | R1186 | K1184-R1186 PolarHBondContact O-N 3.32Š|
| 1185 | L | 27.6 | Very low | 26.7 | Very low | 139 Ų | 139 | 154.7 Ų | 154.7 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | | | trans | -68.4 | 126 | 156.8 | -159.4 | 76.1 | 0 | 0 | 0 | 105.9 | S1183 D1187 | S1183-L1185 PolarHBondContact O-N 3.18Å; L1185-D1187 PolarHBondContact O-N 2.79Å |
| 1186 | R | 26.6 | Very low | 26.7 | Very low | 225 Ų | 225 | 153.4 Ų | 153.4 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | | | trans | -65.2 | 126.6 | 158.4 | -69.7 | 178.8 | 173.5 | -168.8 | -2.1 | 105.9 | K1184 | K1184-R1186 PolarHBondContact O-N 3.32Š|
| 1187 | D | 30.6 | Very low | 26.8 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -117.6 | 108.3 | 136.8 | -121.4 | -41.2 | 0 | 0 | 0 | 106.9 | L1185 S1189 | L1185-D1187 PolarHBondContact O-N 2.79Å; D1187-S1189 PolarHBondContact O-N 3.48Å |
| 1188 | P | 28.5 | Very low | 27 | Very low | 93 Ų | 93 | 156.7 Ų | 156.7 | 60% | 0.604 | 79% | 0.787 | S | S | * | * | | | trans | -68.6 | 97.7 | 157.2 | 17.1 | -2 | 0 | 0 | 0 | 105.1 | I1190 | P1188-I1190 PolarHBondContact O-N 2.77Š|
| 1189 | S | 29.1 | Very low | 27.3 | Very low | 113 Ų | 113 | 158.4 Ų | 158.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -68 | 72.7 | 165.5 | 61.7 | 0 | 0 | 0 | 0 | 108.8 | D1187 | D1187-S1189 PolarHBondContact O-N 3.48Š|
| 1190 | I | 29.7 | Very low | 27.6 | Very low | 129 Ų | 129 | 153.3 Ų | 153.3 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | trans | 15.7 | 107.7 | 159.3 | -67.8 | 154.6 | 0 | 0 | 0 | 112.5 | P1188 K1192 | P1188-I1190 PolarHBondContact O-N 2.77Å; I1190-K1192 PolarHBondContact O-N 3.31Å |
| 1191 | R | 23.3 | Very low | 27.9 | Very low | 232 Ų | 232 | 152.9 Ų | 152.9 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | -48.9 | 119.8 | 150.5 | -73.5 | -173.3 | 179.3 | -155.5 | -0.1 | 105.4 | T1193 | R1191-T1193 PolarHBondContact O-N 3.44Š|
| 1192 | K | 25.7 | Very low | 28 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | | | trans | -68.1 | 76.7 | -179.3 | -66.3 | -178.1 | 179.3 | -179.1 | 0 | 109.8 | I1190 W1194 | I1190-K1192 PolarHBondContact O-N 3.31Å; K1192-W1194 PolarHBondContact O-N 3.25Å |
| 1193 | T | 26.6 | Very low | 27.9 | Very low | 95 Ų | 95 | 152 Ų | 152 | 58% | 0.583 | 77% | 0.765 | S | S | * | * | | | trans | -64.1 | 115.5 | 159.9 | 41.4 | 0 | 0 | 0 | 0 | 106.2 | R1191 H1195 | R1191-T1193 PolarHBondContact O-N 3.44Å; T1193-H1195 PolarHBondContact O-CD2 3.5Å; T1193-H1195 PolarHBondContact O-N 3.32Å |
| 1194 | W | 26.1 | Very low | 28.1 | Very low | 243 Ų | 243 | 156.2 Ų | 156.2 | 92% | 0.92 | 77% | 0.771 | S | S | * | * | | | trans | -71.7 | 93.5 | -172 | -74.4 | 72.6 | 0 | 0 | 0 | 109.8 | K1192 G1196 | K1192-W1194 PolarHBondContact O-N 3.25Å; W1194-G1196 VanDerWaalsContact C-N 3.33Å; W1194-G1196 PolarHBondContact O-N 2.76Å |
| 1195 | H | 28.5 | Very low | 28.2 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | | | trans | -70.2 | 95.3 | 162.7 | -66.4 | -74.3 | 0 | 0 | 0 | 107.8 | T1193 A1197 | T1193-H1195 PolarHBondContact O-CD2 3.5Å; T1193-H1195 PolarHBondContact O-N 3.32Å; H1195-A1197 PolarHBondContact O-N 3.26Å |
| 1196 | G | 24.4 | Very low | 28.4 | Very low | 81 Ų | 81 | 148.5 Ų | 148.5 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | -63.4 | 121.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | W1194 | W1194-G1196 VanDerWaalsContact C-N 3.33Å; W1194-G1196 PolarHBondContact O-N 2.76Å |
| 1197 | A | 29.9 | Very low | 28.4 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -140.8 | 119.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | H1195 | H1195-A1197 PolarHBondContact O-N 3.26Š|
| 1198 | R | 29.2 | Very low | 28.4 | Very low | 224 Ų | 224 | 143.2 Ų | 143.2 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | | | trans | 57.8 | 97.7 | 169.3 | -68.4 | -170.1 | 160.4 | 178.3 | -4.7 | 118.4 | | |
| 1199 | E | 31.2 | Very low | 28.3 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | | 61.4 | 143.3 | 108.5 | -68.6 | 164.6 | 154.7 | 0 | 0 | 120.3 | | |
| 1200 | P | 32.1 | Very low | 28.3 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | trans | -89.5 | 134.9 | -171.8 | 35.2 | -34 | 0 | 0 | 0 | 113.8 | | |
| 1201 | Y | 31.2 | Very low | 28.3 | Very low | 225 Ų | 225 | 145.5 Ų | 145.5 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | trans | -86.2 | 106 | 142.4 | -86.8 | -99.2 | 0 | 0 | 0 | 106.1 | | |
| 1202 | S | 27.7 | Very low | 28.8 | Very low | 72 Ų | 72 | 142.7 Ų | 142.7 | 50% | 0.503 | 76% | 0.759 | S | S | . | * | | | | 76.1 | 106 | 86.2 | 74.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1203 | D | 26.7 | Very low | 29.1 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | 46.3 | 116.2 | 133.9 | -41.4 | -42.6 | 0 | 0 | 0 | 118.8 | | |
| 1204 | F | 30.1 | Very low | 29.1 | Very low | 190 Ų | 190 | 143 Ų | 143 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | | | | -171.9 | 112.9 | 99.3 | -113.1 | -100.9 | 0 | 0 | 0 | 111.2 | | |
| 1205 | V | 27.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 31.1 | 115.8 | 125.7 | -174.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1206 | G | 30.8 | Very low | 29.2 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | | | trans | -149.4 | 58.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1207 | T | 26.6 | Very low | 29.6 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | -95.5 | 100.3 | -175.6 | 41.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1208 | L | 30.5 | Very low | 29.4 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | trans | -129.7 | 138.4 | 150.5 | -70.4 | 169.7 | 0 | 0 | 0 | 107.5 | K663 | K663-L1208 PolarHBondContact NZ-O 3.13Š|
| 1209 | N | 27.3 | Very low | 29.9 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | | | cis | 73.1 | 146.5 | 34.8 | -65.9 | -0 | 0 | 0 | 0 | 114.6 | | |
| 1210 | S | 28.9 | Very low | 29.9 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | 69.9 | 139.1 | -171.4 | -162.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1211 | D | 30.3 | Very low | 29.8 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | cis | -162.1 | -165.7 | -25.4 | -100.7 | -46.9 | 0 | 0 | 0 | 108.6 | | |
| 1212 | Q | 33.2 | Very low | 29.7 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | trans | 77.5 | 155.3 | 160.3 | -51.1 | -158.1 | -87.2 | 0 | 0 | 118 | | |
| 1213 | D | 32.3 | Very low | 29.9 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 60% | 0.604 | 75% | 0.751 | S | S | * | * | | | cis | -168.6 | 140.3 | -31.7 | -105.3 | -42.7 | 0 | 0 | 0 | 108.2 | | |
| 1214 | K | 26.9 | Very low | 29.8 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | trans | 59.6 | 164 | 162.7 | -63.1 | 168.1 | 179.1 | 164.2 | 0 | 115.3 | | |
| 1215 | Y | 31.2 | Very low | 29.7 | Very low | 208 Ų | 208 | 136.3 Ų | 136.3 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | | | cis | -124.6 | 156.8 | 9.9 | -83.9 | -98.6 | 0 | 0 | 0 | 112.6 | | |
| 1216 | T | 26 | Very low | 29.7 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | | | trans | -72.4 | 141.2 | 165.7 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1217 | L | 31.2 | Very low | 29.6 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 88% | 0.88 | 75% | 0.748 | S | S | * | * | | | trans | -138.7 | 129.3 | 135.9 | -121.1 | 173 | 0 | 0 | 0 | 107.7 | | |
| 1218 | T | 26.9 | Very low | 29.7 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 61% | 0.613 | 75% | 0.753 | S | S | * | * | | | trans | -132.6 | 121.5 | -172.3 | -51.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1219 | E | 38.8 | Very low | 29.4 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -167.4 | 119 | 160.7 | -102.3 | 155.8 | -138.6 | 0 | 0 | 103.4 | | |
| 1220 | D | 30.6 | Very low | 29.5 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | | 64.1 | 132.6 | 58.5 | -64.3 | -26.6 | 0 | 0 | 0 | 112.6 | | |
| 1221 | V | 31.2 | Very low | 29.3 | Very low | 119 Ų | 119 | 144 Ų | 144 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | cis | -149.9 | 161.9 | -5.1 | 106.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1222 | S | 28.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -74.6 | 133.3 | 177.8 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1223 | V | 32.9 | Very low | 28.8 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | -139.1 | 143.9 | 155.8 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1224 | S | 24.1 | Very low | 28.6 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -108.2 | -167.3 | -179.2 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1225 | Y | 28.7 | Very low | 28.5 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | | | trans | 106.6 | 101.5 | 159.7 | -72.5 | -93.8 | 0 | 0 | 0 | 120 | | |
| 1226 | L | 26.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | 72.1 | 155.8 | 131 | -67.2 | -178.1 | 0 | 0 | 0 | 122.7 | | |
| 1227 | Q | 29.1 | Very low | 28.4 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | -80.8 | 157.8 | -178.4 | -60.2 | 152.8 | -99.2 | 0 | 0 | 112.1 | | |
| 1228 | P | 29.2 | Very low | 28.4 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | | -124.8 | 153.5 | 127.2 | 26.6 | -13.3 | 0 | 0 | 0 | 112.3 | | |
| 1229 | E | 24.3 | Very low | 28.4 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -87.2 | 176 | 176.1 | -60.4 | -167.2 | 138.4 | 0 | 0 | 113 | | |
| 1230 | S | 28 | Very low | 27.9 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | 103.7 | 112.5 | 143.7 | 83.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1231 | N | 25.9 | Very low | 27.7 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | | 78.5 | 157.2 | 128.8 | -70.2 | -31.5 | 0 | 0 | 0 | 123.1 | | |
| 1232 | T | 27.1 | Very low | 27.5 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | 66.2 | 91 | 162 | 37.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1233 | K | 24.7 | Very low | 27.6 | Very low | 211 Ų | 211 | 138.1 Ų | 138.1 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | | | | 30.7 | 99.2 | 120.6 | -61 | 175.9 | -178.8 | 173.9 | 0 | 116.6 | | |
| 1234 | S | 27.8 | Very low | 27.4 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -145.1 | 157.6 | 140.8 | -162.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1235 | S | 25.6 | Very low | 27.5 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 59% | 0.587 | 79% | 0.788 | S | S | * | * | | | trans | -91.9 | 167.4 | -171.7 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1236 | N | 27.6 | Very low | 27.4 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | 80.6 | 129.2 | 154.9 | -57 | -21 | 0 | 0 | 0 | 118.1 | | |
| 1237 | N | 27.8 | Very low | 27.5 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | 60.8 | 93 | 144 | -50.6 | -4.8 | 0 | 0 | 0 | 117.4 | | |
| 1238 | N | 30.8 | Very low | 27.4 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | | -163.4 | 134.9 | 97.1 | -90.5 | -23.3 | 0 | 0 | 0 | 111.7 | | |
| 1239 | S | 26.6 | Very low | 27.3 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -88.9 | 125.9 | 163.7 | 51.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1240 | L | 28.1 | Very low | 27.8 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -175.5 | 118.7 | 130.8 | -99.8 | 160.5 | 0 | 0 | 0 | 111.2 | | |
| 1241 | N | 27.3 | Very low | 27.9 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -14.9 | 124.2 | 171 | -52.9 | -18.6 | 0 | 0 | 0 | 117.5 | | |
| 1242 | A | 26.6 | Very low | 28.2 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -117.6 | 122.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1243 | S | 30.8 | Very low | 28.6 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | 47.4 | 117.7 | 149.7 | -52.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1244 | D | 29.2 | Very low | 29 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | -32.2 | 127.9 | 149.7 | -55.3 | -93.7 | 0 | 0 | 0 | 115 | | |
| 1245 | F | 25.9 | Very low | 29.5 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | -155.3 | 132 | 149.9 | -99.2 | -66.5 | 0 | 0 | 0 | 113.2 | | |
| 1246 | L | 26.6 | Very low | 30 | Very low | 154 Ų | 154 | 153.6 Ų | 153.6 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | trans | 62.3 | 97 | 157.4 | -53.9 | 175.5 | 0 | 0 | 0 | 119.6 | | |
| 1247 | R | 29.4 | Very low | 30.3 | Very low | 254 Ų | 254 | 158.2 Ų | 158.2 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | | | | -157.8 | 142.4 | 103.5 | -110 | 172.8 | -170.2 | -130.8 | -0.6 | 114.2 | | |
| 1248 | R | 27.1 | Very low | 30.7 | Very low | 235 Ų | 235 | 156.6 Ų | 156.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -80.3 | 132.6 | -179.9 | -73.2 | 176.2 | 179.4 | 165 | -0.1 | 111.6 | | |
| 1249 | S | 26.8 | Very low | 30.9 | Very low | 99 Ų | 99 | 159.8 Ų | 159.8 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | | | | 2.5 | 140.4 | 128.5 | 56 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1250 | I | 34.8 | Very low | 31.3 | Very low | 175 Ų | 175 | 160.2 Ų | 160.2 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | | | | -161.5 | 145.7 | 115.9 | -95.2 | 150.1 | 0 | 0 | 0 | 107.5 | | |
| 1251 | G | 29.8 | Very low | 31.9 | Very low | 73 Ų | 73 | 158.7 Ų | 158.7 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -104.5 | 177.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1252 | N | 31.9 | Very low | 32.4 | Very low | 136 Ų | 136 | 156.5 Ų | 156.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -130.9 | 109.7 | 166.6 | -167.2 | -28.4 | 0 | 0 | 0 | 109.1 | T1254 | N1252-T1254 PolarHBondContact OD1-OG1 3Å; N1252-T1254 VanDerWaalsContact OD1-OG1 3.11Å |
| 1253 | S | 34.5 | Very low | 33.4 | Very low | 117 Ų | 117 | 161 Ų | 161 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -109.4 | 29.6 | -157.6 | 49.8 | 0 | 0 | 0 | 0 | 114.4 | K1255 | S1253-K1255 VanDerWaalsContact C-N 3.34Å; S1253-K1255 PolarHBondContact O-N 3.25Å |
| 1254 | T | 34.6 | Very low | 34.3 | Very low | 123 Ų | 123 | 165.1 Ų | 165.1 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -83.9 | 12 | -165.9 | 42.7 | 0 | 0 | 0 | 0 | 116.4 | N1252 | N1252-T1254 PolarHBondContact OD1-OG1 3Å; N1252-T1254 VanDerWaalsContact OD1-OG1 3.11Å |
| 1255 | K | 37.9 | Very low | 35.1 | Very low | 196 Ų | 196 | 160.7 Ų | 160.7 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | | | trans | -129.2 | 96.8 | 175.9 | -69.4 | -177 | 180 | 176.5 | 0 | 112 | S1253 | S1253-K1255 VanDerWaalsContact C-N 3.34Å; S1253-K1255 PolarHBondContact O-N 3.25Å |
| 1256 | R | 36.2 | Very low | 36 | Very low | 252 Ų | 252 | 155.1 Ų | 155.1 | 95% | 0.951 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 140 | 169 | -70.7 | -172.5 | 176.5 | -164 | -0.1 | 110.1 | | |
| 1257 | R | 33.4 | Very low | 37.5 | Very low | 230 Ų | 230 | 154.5 Ų | 154.5 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 153.7 | 171.6 | -73.8 | -177.8 | 175 | 175.5 | -1.9 | 111 | | |
| 1258 | P | 36.2 | Very low | 38.9 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 159.3 | 169.3 | 28.1 | -34.8 | 0 | 0 | 0 | 111.6 | | |
| 1259 | W | 34.9 | Very low | 39.6 | Very low | 232 Ų | 232 | 137.9 Ų | 137.9 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -96.2 | -3.9 | -146.5 | -9.2 | -60.9 | 0 | 0 | 0 | 115.6 | T1261 | W1259-T1261 PolarHBondContact O-N 2.89Š|
| 1260 | S | 35.8 | Very low | 40.8 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 37.3 | -172.6 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1261 | T | 40 | Very low | 41.5 | Very low | 129 Ų | 129 | 141 Ų | 141 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.6 | 24.7 | 179.1 | -27.7 | 0 | 0 | 0 | 0 | 113.1 | W1259 | W1259-T1261 PolarHBondContact O-N 2.89Š|
| 1262 | L | 38.7 | Very low | 42.6 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 61% | 0.607 | 74% | 0.738 | S | S | * | * | | | trans | -88.2 | 130.8 | 157.5 | -86.7 | 84.2 | 0 | 0 | 0 | 108.3 | Y1264 | L1262-Y1264 WeakPolarHBondContact CB-O 3.22Å; L1262-Y1264 PolarHBondContact O-N 2.93Å |
| 1263 | E | 46.4 | Very low | 43.3 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -68.7 | -18.4 | 175.5 | -64.1 | 176.9 | 126.8 | 0 | 0 | 112.7 | | |
| 1264 | Y | 50.1 | Low | 43.8 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -133.2 | 134.8 | 173 | -70 | -86.9 | 0 | 0 | 0 | 110.4 | L1262 | L1262-Y1264 WeakPolarHBondContact CB-O 3.22Å; L1262-Y1264 PolarHBondContact O-N 2.93Å |
| 1265 | P | 45.2 | Very low | 44.4 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 44% | 0.442 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 149.8 | 174.7 | 29.2 | -35.9 | 0 | 0 | 0 | 110.4 | C1269 F1271 | P1265-C1269 HydrophobicContact CB-CB 3.94Å; P1265-F1271 HydrophobicContact CB-CE2 4.3Å; P1265-F1271 HydrophobicContact CG-CE2 4.16Å |
| 1266 | P | 45.9 | Very low | 44.8 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 47% | 0.468 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 143.5 | -179.3 | -26.1 | 34.9 | 0 | 0 | 0 | 112.7 | G1268 C1269 | P1266-G1268 PolarHBondContact O-N 3.4Å; P1266-C1269 WeakPolarHBondContact O-CB 3.22Å; P1266-C1269 PolarHBondContact O-N 2.59Å |
| 1267 | P | 57.5 | Low | 45.5 | Very low | 141 Ų | 141 | 136 Ų | 136 | 92% | 0.916 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 127.9 | 173.1 | -27.3 | 35.4 | 0 | 0 | 0 | 111.5 | | |
| 1268 | G | 58.3 | Low | 46 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.1 | -13.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1266 H1270 | P1266-G1268 PolarHBondContact O-N 3.4Å; G1268-H1270 VanDerWaalsContact C-N 3.35Å; G1268-H1270 PolarHBondContact O-CD2 2.91Å; G1268-H1270 PolarHBondContact O-N 2.9Å |
| 1269 | C | 43.3 | Very low | 46.1 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 51% | 0.507 | 69% | 0.691 | S | S | . | * | | | trans | -75.2 | 87.8 | 164.3 | -79 | 0 | 0 | 0 | 0 | 110.3 | P1265 P1266 F1271 | P1265-C1269 HydrophobicContact CB-CB 3.94Å; P1266-C1269 WeakPolarHBondContact O-CB 3.22Å; P1266-C1269 PolarHBondContact O-N 2.59Å; C1269-F1271 PolarHBondContact O-N 3.08Å |
| 1270 | H | 51.9 | Low | 46.6 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 78% | 0.782 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 116.8 | 163.4 | -62.5 | -86.4 | 0 | 0 | 0 | 108.6 | G1268 V1272 | G1268-H1270 VanDerWaalsContact C-N 3.35Å; G1268-H1270 PolarHBondContact O-CD2 2.91Å; G1268-H1270 PolarHBondContact O-N 2.9Å; H1270-V1272 PolarHBondContact O-N 2.89Å |
| 1271 | F | 49 | Very low | 46.8 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 75% | 0.75 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 121.2 | 160.4 | -90.8 | -97.1 | 0 | 0 | 0 | 107.6 | P1265 C1269 | P1265-F1271 HydrophobicContact CB-CE2 4.3Å; P1265-F1271 HydrophobicContact CG-CE2 4.16Å; C1269-F1271 PolarHBondContact O-N 3.08Å |
| 1272 | V | 52.1 | Low | 46.9 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 63% | 0.63 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 118.3 | 162.6 | 179 | 0 | 0 | 0 | 0 | 105.6 | H1270 D1274 | H1270-V1272 PolarHBondContact O-N 2.89Å; V1272-D1274 PolarHBondContact O-N 2.88Å; V1272-D1274 VanDerWaalsContact O-N 3.13Å |
| 1273 | D | 47 | Very low | 46.8 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 62% | 0.62 | 67% | 0.671 | S | S | * | * | | | trans | -72.4 | 102.6 | 167.5 | -74.8 | -38.9 | 0 | 0 | 0 | 107.9 | D1275 | D1273-D1275 PolarHBondContact O-N 3.43Š|
| 1274 | D | 46.4 | Very low | 46.4 | Very low | 100 Ų | 100 | 122 Ų | 122 | 54% | 0.535 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -68.7 | 15.8 | 176.2 | -71.2 | -34.2 | 0 | 0 | 0 | 113 | V1272 Y1276 M1277 | V1272-D1274 PolarHBondContact O-N 2.88Å; V1272-D1274 VanDerWaalsContact O-N 3.13Å; D1274-Y1276 PolarHBondContact O-N 3.33Å; D1274-Y1276 VanDerWaalsContact O-N 3.13Å; D1274-M1277 WeakPolarHBondContact O-CA 3.02Å; D1274-M1277 WeakPolarHBondContact O-CB 3.22Å; D1274-M1277 PolarHBondContact O-N 3.38Å |
| 1275 | D | 47.2 | Very low | 45.9 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 65% | 0.647 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -56.5 | -24.8 | 172 | -83.7 | 0.9 | 0 | 0 | 0 | 112 | D1273 M1277 F1278 P1279 | D1273-D1275 PolarHBondContact O-N 3.43Å; D1275-M1277 PolarHBondContact O-N 2.89Å; D1275-F1278 CarbonylContact O-C 3.19Å; D1275-F1278 PolarHBondContact O-N 2.84Å; D1275-P1279 VanDerWaalsContact O-N 3.15Å |
| 1276 | Y | 45 | Very low | 45.3 | Very low | 212 Ų | 212 | 123.7 Ų | 123.7 | 83% | 0.831 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -65.7 | -18 | 170.4 | -65.5 | -78.2 | 0 | 0 | 0 | 114.1 | D1274 | D1274-Y1276 PolarHBondContact O-N 3.33Å; D1274-Y1276 VanDerWaalsContact O-N 3.13Å |
| 1277 | M | 52.1 | Low | 44.8 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 68% | 0.68 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -85.4 | -14.7 | 169.9 | -61.3 | -168.3 | 67.4 | 0 | 0 | 112.8 | D1274 D1275 | D1274-M1277 WeakPolarHBondContact O-CA 3.02Å; D1274-M1277 WeakPolarHBondContact O-CB 3.22Å; D1274-M1277 PolarHBondContact O-N 3.38Å; D1275-M1277 PolarHBondContact O-N 2.89Å |
| 1278 | F | 43.6 | Very low | 43.6 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 65% | 0.645 | 69% | 0.687 | S | S | * | * | | | trans | -135.4 | 49.4 | 180 | -60.2 | -77.7 | 0 | 0 | 0 | 113.8 | D1275 D1280 A1281 | D1275-F1278 CarbonylContact O-C 3.19Å; D1275-F1278 PolarHBondContact O-N 2.84Å; F1278-D1280 PolarHBondContact O-N 3.15Å; F1278-D1280 VanDerWaalsContact O-N 3.16Å; F1278-A1281 PolarHBondContact O-N 3.49Å |
| 1279 | P | 37.4 | Very low | 42.6 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 69% | 0.688 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -28.4 | 178.3 | 27.6 | -35.9 | 0 | 0 | 0 | 112.1 | D1275 | D1275-P1279 VanDerWaalsContact O-N 3.15Š|
| 1280 | D | 45.2 | Very low | 42.4 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 67.6 | 174.5 | -84.7 | -56.2 | 0 | 0 | 0 | 110.9 | F1278 L1282 | F1278-D1280 PolarHBondContact O-N 3.15Å; F1278-D1280 VanDerWaalsContact O-N 3.16Å; D1280-L1282 HydrophobicContact CB-CD2 4.11Å; D1280-L1282 HydrophobicContact CB-CG 4.08Å; D1280-L1282 PolarHBondContact O-N 3.01Å |
| 1281 | A | 40.6 | Very low | 41.8 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | | | trans | -67.9 | 69.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110 | F1278 T1283 | F1278-A1281 PolarHBondContact O-N 3.49Å; A1281-T1283 PolarHBondContact O-N 3.49Å |
| 1282 | L | 42.6 | Very low | 41.1 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 65% | 0.654 | 72% | 0.718 | S | S | * | * | | | trans | -57.2 | 99.1 | -168.9 | -69.5 | 171.9 | 0 | 0 | 0 | 112.3 | D1280 | D1280-L1282 HydrophobicContact CB-CD2 4.11Å; D1280-L1282 HydrophobicContact CB-CG 4.08Å; D1280-L1282 PolarHBondContact O-N 3.01Å |
| 1283 | T | 36.2 | Very low | 40.4 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | | | trans | -55.6 | 137.2 | 168.8 | 63.3 | 0 | 0 | 0 | 0 | 109.5 | A1281 T1285 | A1281-T1283 PolarHBondContact O-N 3.49Å; T1283-T1285 PolarHBondContact O-N 3.24Å |
| 1284 | P | 38.8 | Very low | 40.4 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 84% | 0.844 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 42.2 | -147.8 | -19.2 | 36.1 | 0 | 0 | 0 | 116.5 | | |
| 1285 | T | 38 | Very low | 40.4 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -5.4 | -169.4 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | T1283 | T1283-T1285 PolarHBondContact O-N 3.24Š|
| 1286 | K | 33.3 | Very low | 40.3 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | -132.1 | 71.1 | 177.5 | -67.2 | -176.3 | -177 | 174.5 | 0 | 111.5 | P1288 | K1286-P1288 VanDerWaalsContact O-CD 3.29Å; K1286-P1288 WeakPolarHBondContact O-CD 3.21Å |
| 1287 | I | 35.9 | Very low | 40.5 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | | | trans | -63.7 | 115.9 | 155.2 | -60.1 | 172.4 | 0 | 0 | 0 | 105.8 | S1289 | I1287-S1289 PolarHBondContact O-N 3.27Š|
| 1288 | P | 32.9 | Very low | 40.4 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | | | trans | -65.5 | 123.8 | 177.3 | 27.3 | -32.8 | 0 | 0 | 0 | 108.4 | K1286 F1290 | K1286-P1288 VanDerWaalsContact O-CD 3.29Å; K1286-P1288 WeakPolarHBondContact O-CD 3.21Å; P1288-F1290 PolarHBondContact O-N 2.72Å |
| 1289 | S | 36.6 | Very low | 40.6 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | | | trans | -61.3 | 114.9 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 108.9 | I1287 R1291 | I1287-S1289 PolarHBondContact O-N 3.27Å; S1289-R1291 VanDerWaalsContact C-N 3.31Å; S1289-R1291 PolarHBondContact O-N 2.96Å |
| 1290 | F | 38 | Very low | 41.3 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 91% | 0.912 | 74% | 0.736 | S | S | * | * | | | trans | -59 | 91.9 | 174.2 | -97.6 | -100.7 | 0 | 0 | 0 | 109.9 | P1288 A1292 | P1288-F1290 PolarHBondContact O-N 2.72Å; F1290-A1292 PolarHBondContact O-N 2.97Å |
| 1291 | R | 39.2 | Very low | 41.7 | Very low | 222 Ų | 222 | 136 Ų | 136 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | | | trans | -68.8 | 118.9 | 157.8 | -84.4 | -168.7 | 169.8 | -148.8 | -1 | 106.2 | S1289 S1293 | S1289-R1291 VanDerWaalsContact C-N 3.31Å; S1289-R1291 PolarHBondContact O-N 2.96Å; R1291-S1293 PolarHBondContact O-N 3.31Å |
| 1292 | A | 35.2 | Very low | 42.2 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | | | trans | -70.7 | 78.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1290 | F1290-A1292 PolarHBondContact O-N 2.97Š|
| 1293 | S | 38.1 | Very low | 42.9 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | trans | -65.6 | 124.9 | 155.9 | 47 | 0 | 0 | 0 | 0 | 108.1 | R1291 | R1291-S1293 PolarHBondContact O-N 3.31Š|
| 1294 | K | 45.9 | Very low | 44 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -64 | 173.2 | 167.4 | -71.5 | -179.1 | 170.3 | -175.6 | 0 | 110.7 | I1296 | K1294-I1296 PolarHBondContact O-N 2.95Š|
| 1295 | E | 45.9 | Very low | 45 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | trans | 75.2 | 1.5 | 157.3 | -69.9 | 139.3 | -131.5 | 0 | 0 | 119.1 | V1297 | E1295-V1297 PolarHBondContact O-N 3.43Š|
| 1296 | I | 46.6 | Very low | 46.4 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 60% | 0.595 | 73% | 0.729 | S | S | * | * | | | trans | -78.2 | 81.2 | 159.3 | -50.3 | -176.7 | 0 | 0 | 0 | 109.2 | K1294 Y1298 | K1294-I1296 PolarHBondContact O-N 2.95Å; I1296-Y1298 HydrophobicContact CB-CE2 4.42Å; I1296-Y1298 HydrophobicContact CG2-CD2 3.87Å; I1296-Y1298 HydrophobicContact CG2-CE1 4.42Å; I1296-Y1298 HydrophobicContact CG2-CE2 3.43Å; I1296-Y1298 VanDerWaalsContact CG2-CE2 3.43Å; I1296-Y1298 PolarHBondContact O-N 3.36Å |
| 1297 | V | 49.3 | Very low | 47.8 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | | | trans | -75.7 | 112.4 | 165.8 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | E1295 D1299 | E1295-V1297 PolarHBondContact O-N 3.43Å; V1297-D1299 PolarHBondContact O-N 3.34Å |
| 1298 | Y | 49.5 | Very low | 48.9 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 74% | 0.737 | 71% | 0.708 | S | S | * | * | | | trans | -83.5 | 106.2 | 169.1 | -75 | -86.2 | 0 | 0 | 0 | 108.8 | I1296 V1300 | I1296-Y1298 HydrophobicContact CB-CE2 4.42Å; I1296-Y1298 HydrophobicContact CG2-CD2 3.87Å; I1296-Y1298 HydrophobicContact CG2-CE1 4.42Å; I1296-Y1298 HydrophobicContact CG2-CE2 3.43Å; I1296-Y1298 VanDerWaalsContact CG2-CE2 3.43Å; I1296-Y1298 PolarHBondContact O-N 3.36Å; Y1298-V1300 PolarHBondContact O-N 3Å |
| 1299 | D | 47 | Very low | 49.8 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | | | trans | -69 | 76.5 | 165.4 | -73.9 | -31.2 | 0 | 0 | 0 | 109.4 | V1297 P1301 | V1297-D1299 PolarHBondContact O-N 3.34Å; D1299-P1301 WeakPolarHBondContact O-CD 3.16Å |
| 1300 | V | 52 | Low | 51.1 | Low | 105 Ų | 105 | 142.4 Ų | 142.4 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | trans | -63.5 | 120.7 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | Y1298 Y1302 | Y1298-V1300 PolarHBondContact O-N 3Å; V1300-Y1302 PolarHBondContact O-N 2.83Å |
| 1301 | P | 54.1 | Low | 51.9 | Low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | | | trans | -59 | 116.5 | 178.1 | -24.1 | 34.7 | 0 | 0 | 0 | 109.4 | D1299 I1303 | D1299-P1301 WeakPolarHBondContact O-CD 3.16Å; P1301-I1303 PolarHBondContact O-N 2.75Å |
| 1302 | Y | 51.7 | Low | 52.4 | Low | 228 Ų | 228 | 139.3 Ų | 139.3 | 89% | 0.894 | 71% | 0.706 | S | S | * | * | | | trans | -61.3 | 105.5 | 173.5 | -82.4 | -92.8 | 0 | 0 | 0 | 108.3 | V1300 D1304 | V1300-Y1302 PolarHBondContact O-N 2.83Å; Y1302-D1304 PolarHBondContact O-N 3.13Å |
| 1303 | I | 56.8 | Low | 53.3 | Low | 131 Ų | 131 | 138.3 Ų | 138.3 | 67% | 0.672 | 69% | 0.691 | S | S | * | * | | | trans | -61.1 | 109 | 165.9 | -61.2 | 173.4 | 0 | 0 | 0 | 105.3 | P1301 D1305 | P1301-I1303 PolarHBondContact O-N 2.75Å; I1303-D1305 PolarHBondContact O-N 3.05Å |
| 1304 | D | 58.2 | Low | 53.7 | Low | 77 Ų | 77 | 143 Ų | 143 | 41% | 0.412 | 70% | 0.702 | S | S | . | * | | | trans | -50.8 | 124.3 | -177.8 | -175.7 | -12.4 | 0 | 0 | 0 | 109.2 | Y1302 K1306 A1307 | Y1302-D1304 PolarHBondContact O-N 3.13Å; D1304-K1306 PolarHBondContact O-N 3.37Å; D1304-K1306 WeakPolarHBondContact OD1-CB 3.39Å; D1304-K1306 VanDerWaalsContact OD1-CG 3.26Å; D1304-K1306 WeakPolarHBondContact OD1-CG 3.31Å; D1304-K1306 PolarHBondContact OD1-N 3.48Å; D1304-K1306 VanDerWaalsContact OD1-N 3.07Å; D1304-K1306 IonicContact OD1-NZ 2.78Å; D1304-K1306 PolarHBondContact OD1-NZ 2.84Å; D1304-K1306 IonicContact OD2-NZ 2.69Å; D1304-K1306 PolarHBondContact OD2-NZ 3.09Å; D1304-A1307 WeakPolarHBondContact O-CA 3.45Å; D1304-A1307 VanDerWaalsContact O-CB 3.29Å; D1304-A1307 WeakPolarHBondContact O-CB 3.27Å; D1304-A1307 PolarHBondContact O-N 2.89Å |
| 1305 | D | 61.1 | Low | 53.5 | Low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -53.5 | -21.9 | -179.8 | -58 | -23.4 | 0 | 0 | 0 | 112.3 | I1303 I1308 | I1303-D1305 PolarHBondContact O-N 3.05Å; D1305-I1308 WeakPolarHBondContact O-CB 3.49Å; D1305-I1308 PolarHBondContact O-N 3.39Å |
| 1306 | K | 67.1 | Low | 53.7 | Low | 156 Ų | 156 | 141.5 Ų | 141.5 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -71 | -24.7 | 173.7 | -58.5 | 179 | -143.3 | 76.6 | 0 | 114.2 | D1304 I1308 | D1304-K1306 PolarHBondContact O-N 3.37Å; D1304-K1306 WeakPolarHBondContact OD1-CB 3.39Å; D1304-K1306 VanDerWaalsContact OD1-CG 3.26Å; D1304-K1306 WeakPolarHBondContact OD1-CG 3.31Å; D1304-K1306 PolarHBondContact OD1-N 3.48Å; D1304-K1306 VanDerWaalsContact OD1-N 3.07Å; D1304-K1306 IonicContact OD1-NZ 2.78Å; D1304-K1306 PolarHBondContact OD1-NZ 2.84Å; D1304-K1306 IonicContact OD2-NZ 2.69Å; D1304-K1306 PolarHBondContact OD2-NZ 3.09Å; K1306-I1308 VanDerWaalsContact C-N 3.28Å |
| 1307 | A | 61.7 | Low | 53.5 | Low | 74 Ų | 74 | 144.5 Ų | 144.5 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -77.4 | -16.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1304 P1309 | D1304-A1307 WeakPolarHBondContact O-CA 3.45Å; D1304-A1307 VanDerWaalsContact O-CB 3.29Å; D1304-A1307 WeakPolarHBondContact O-CB 3.27Å; D1304-A1307 PolarHBondContact O-N 2.89Å; A1307-P1309 WeakPolarHBondContact O-CD 3.36Å |
| 1308 | I | 59.2 | Low | 53 | Low | 101 Ų | 101 | 142.2 Ų | 142.2 | 52% | 0.518 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -74.4 | 116.3 | 167.5 | -51.9 | 177.1 | 0 | 0 | 0 | 107.4 | D1305 K1306 R1310 | D1305-I1308 WeakPolarHBondContact O-CB 3.49Å; D1305-I1308 PolarHBondContact O-N 3.39Å; K1306-I1308 VanDerWaalsContact C-N 3.28Å; I1308-R1310 PolarHBondContact O-N 3.31Å |
| 1309 | P | 52.1 | Low | 52.6 | Low | 98 Ų | 98 | 138.6 Ų | 138.6 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | | | trans | -63.6 | 124.2 | 179.4 | 25.7 | -33.2 | 0 | 0 | 0 | 109.6 | A1307 Y1311 | A1307-P1309 WeakPolarHBondContact O-CD 3.36Å; P1309-Y1311 PolarHBondContact O-N 3.22Å |
| 1310 | R | 64.1 | Low | 52.5 | Low | 240 Ų | 240 | 136.2 Ų | 136.2 | 91% | 0.906 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -63.5 | 0 | -177.5 | -67.1 | -171.9 | 177.2 | -166.4 | -0.5 | 115.3 | I1308 | I1308-R1310 PolarHBondContact O-N 3.31Š|
| 1311 | Y | 55.6 | Low | 51.9 | Low | 202 Ų | 202 | 141.7 Ų | 141.7 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -122.6 | 107.7 | 172.3 | -112.4 | -89.6 | 0 | 0 | 0 | 108.6 | P1309 | P1309-Y1311 PolarHBondContact O-N 3.22Š|
| 1312 | E | 49.4 | Very low | 51.2 | Low | 163 Ų | 163 | 147 Ų | 147 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | | | trans | -67.1 | 126.3 | 166.3 | -173 | 173.7 | -172.4 | 0 | 0 | 108.2 | E1314 | E1312-E1314 PolarHBondContact O-N 3.39Š|
| 1313 | P | 53.7 | Low | 51 | Low | 83 Ų | 83 | 140.6 Ų | 140.6 | 54% | 0.539 | 70% | 0.699 | S | S | . | * | | | trans | -63 | 125.1 | 178.8 | -23.4 | 34.3 | 0 | 0 | 0 | 111 | W1315 | P1313-W1315 VanDerWaalsContact C-N 3.34Å; P1313-W1315 PolarHBondContact O-N 3.31Å |
| 1314 | E | 47.7 | Very low | 50.4 | Low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | | | trans | -67.4 | 91.5 | 173.9 | -71.7 | -167.5 | 170.2 | 0 | 0 | 110.4 | E1312 P1316 | E1312-E1314 PolarHBondContact O-N 3.39Å; E1314-P1316 VanDerWaalsContact O-CD 3.31Å; E1314-P1316 WeakPolarHBondContact O-CD 3.27Å |
| 1315 | W | 40.5 | Very low | 49.4 | Very low | 202 Ų | 202 | 144 Ų | 144 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | | | trans | -64.5 | 117.7 | 177.8 | -66.4 | 93.6 | 0 | 0 | 0 | 110.5 | P1313 I1317 | P1313-W1315 VanDerWaalsContact C-N 3.34Å; P1313-W1315 PolarHBondContact O-N 3.31Å; W1315-I1317 PolarHBondContact O-N 3.01Å |
| 1316 | P | 50.8 | Low | 48.3 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | | | trans | -64.3 | 112.9 | 176.2 | 25.3 | -32.9 | 0 | 0 | 0 | 109.7 | E1314 G1318 | E1314-P1316 VanDerWaalsContact O-CD 3.31Å; E1314-P1316 WeakPolarHBondContact O-CD 3.27Å; P1316-G1318 PolarHBondContact O-N 3.4Å |
| 1317 | I | 41.2 | Very low | 47 | Very low | 180 Ų | 180 | 143 Ų | 143 | 92% | 0.923 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 98.5 | -167.6 | -57.2 | 174.8 | 0 | 0 | 0 | 111.2 | W1315 | W1315-I1317 PolarHBondContact O-N 3.01Š|
| 1318 | G | 40.5 | Very low | 45.9 | Very low | 67 Ų | 67 | 147 Ų | 147 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.3 | 48.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | P1316 | P1316-G1318 PolarHBondContact O-N 3.4Š|
| 1319 | E | 40.7 | Very low | 45.1 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 52% | 0.523 | 74% | 0.736 | S | S | . | * | | | trans | -96.2 | 88.4 | 153.1 | -68.3 | -142.8 | 147.4 | 0 | 0 | 110.9 | F700 | F700-E1319 HydrophobicContact CD2-CG 4.23Å; F700-E1319 WeakPolarHBondContact CD2-OE1 3.05Å; F700-E1319 PolarHBondContact N-OE1 3.24Å |
| 1320 | S | 43.9 | Very low | 44.3 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | -74.1 | 142.2 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | R1322 | S1320-R1322 PolarHBondContact O-N 2.89Š|
| 1321 | R | 39.8 | Very low | 43 | Very low | 221 Ų | 221 | 146.7 Ų | 146.7 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -55.3 | -0.5 | -163 | -66.2 | -175.7 | 172.6 | -159.7 | -1.8 | 118.4 | T1323 | R1321-T1323 VanDerWaalsContact C-N 3.28Å; R1321-T1323 PolarHBondContact O-N 2.8Å |
| 1322 | R | 39 | Very low | 42.1 | Very low | 222 Ų | 222 | 142 Ų | 142 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -75.4 | -2.3 | -172.8 | -74.9 | -172.7 | 168.8 | -170.1 | -4.9 | 115.6 | S1320 | S1320-R1322 PolarHBondContact O-N 2.89Š|
| 1323 | T | 48.8 | Very low | 41.3 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -84.1 | -26.9 | 177.4 | 42.9 | 0 | 0 | 0 | 0 | 114.5 | R1321 I1325 | R1321-T1323 VanDerWaalsContact C-N 3.28Å; R1321-T1323 PolarHBondContact O-N 2.8Å; T1323-I1325 PolarHBondContact O-N 2.72Å |
| 1324 | L | 43.1 | Very low | 40.4 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -67.7 | -28.7 | -173.5 | -79.1 | 168.6 | 0 | 0 | 0 | 114.7 | | |
| 1325 | I | 38.6 | Very low | 39.6 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -80.2 | -25.5 | -172.4 | -61.8 | 174.8 | 0 | 0 | 0 | 112 | T1323 Q1327 L1328 | T1323-I1325 PolarHBondContact O-N 2.72Å; I1325-Q1327 VanDerWaalsContact C-N 3.28Å; I1325-Q1327 PolarHBondContact O-N 2.82Å; I1325-L1328 PolarHBondContact O-N 2.97Å |
| 1326 | S | 36.7 | Very low | 39.1 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 59% | 0.594 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -73.6 | -11.4 | -172.5 | -168.5 | 0 | 0 | 0 | 0 | 115 | | |
| 1327 | Q | 39.9 | Very low | 38.2 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -91 | -10 | -179.8 | -72.8 | -167.6 | -26.4 | 0 | 0 | 114.4 | I1325 | I1325-Q1327 VanDerWaalsContact C-N 3.28Å; I1325-Q1327 PolarHBondContact O-N 2.82Å |
| 1328 | L | 38.8 | Very low | 37.5 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -92.9 | -8.2 | -179.7 | -78.9 | 165.3 | 0 | 0 | 0 | 114.5 | I1325 | I1325-L1328 PolarHBondContact O-N 2.97Š|
| 1329 | S | 41.9 | Very low | 37.1 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -97.6 | -3.5 | -171.9 | -168.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1330 | Q | 36.6 | Very low | 36.5 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -93.2 | -1.4 | -171.9 | -71.2 | -165.6 | -29 | 0 | 0 | 115.5 | | |
| 1331 | N | 36.8 | Very low | 35.8 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -122.6 | 37.6 | -174.7 | -80.2 | -17.4 | 0 | 0 | 0 | 114.1 | | |
| 1332 | S | 36.6 | Very low | 35.5 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -137.5 | 90.6 | 169.9 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1333 | G | 32.1 | Very low | 35.1 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | | | trans | -85.6 | -172.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1334 | S | 35.1 | Very low | 34.1 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | 57.9 | 79.1 | 170.8 | 61.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1335 | I | 30.7 | Very low | 33.3 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | trans | -119.9 | 116.3 | 136.2 | -68.3 | 174.5 | 0 | 0 | 0 | 103.2 | | |
| 1336 | V | 30.4 | Very low | 32.6 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | cis | 81.9 | 124.9 | 31.6 | -170.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1337 | G | 31.4 | Very low | 32 | Very low | 64 Ų | 64 | 136.4 Ų | 136.4 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | 101.1 | 102.5 | -157.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1338 | M | 25.9 | Very low | 31.4 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | cis | 70.2 | 80.9 | 29.2 | -56.5 | -178.2 | 66.6 | 0 | 0 | 114.6 | P887 | P887-M1338 HydrophobicContact CB-CE 4.38Š|
| 1339 | T | 32.3 | Very low | 31.1 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | | | trans | -108.1 | 127.3 | 138.3 | 44.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1340 | A | 28.8 | Very low | 30.6 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -120.3 | 139 | 159.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 1341 | E | 28.3 | Very low | 30.5 | Very low | 191 Ų | 191 | 128.6 Ų | 128.6 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | | | trans | -175.9 | 158.3 | 156 | -105.2 | 148.6 | -148.7 | 0 | 0 | 108.8 | | |
| 1342 | E | 33.6 | Very low | 30.5 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | | | trans | 51.7 | 87 | 176.3 | -58.3 | -170.9 | 168.2 | 0 | 0 | 116 | | |
| 1343 | E | 30.9 | Very low | 30.4 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | | 69.8 | 95.2 | 87.9 | -68.2 | -159.6 | -178.9 | 0 | 0 | 113.8 | | |
| 1344 | S | 27 | Very low | 30.5 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | cis | 81.3 | 34.4 | 49.2 | -49.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1345 | S | 27.2 | Very low | 30.7 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | | | trans | -149.8 | 149 | 161.3 | 63.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1346 | L | 22.9 | Very low | 30.7 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | cis | -150.4 | 128.1 | -26.1 | -106.4 | -179.9 | 0 | 0 | 0 | 109.6 | | |
| 1347 | I | 25.7 | Very low | 30.9 | Very low | 141 Ų | 141 | 135 Ų | 135 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | | | trans | 31.2 | 109.7 | 145.1 | -59.7 | 177.9 | 0 | 0 | 0 | 117.7 | | |
| 1348 | S | 26.6 | Very low | 30.7 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | | | | 73.8 | 81.1 | 63.3 | 179 | 0 | 0 | 0 | 0 | 117 | | |
| 1349 | L | 31.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -145.1 | 137 | 156.9 | -80.9 | 156 | 0 | 0 | 0 | 106.4 | | |
| 1350 | D | 32.9 | Very low | 31.4 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | | | cis | -117 | 147.2 | 3.3 | -85.7 | -59.8 | 0 | 0 | 0 | 111.6 | | |
| 1351 | T | 34.7 | Very low | 31.5 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 43% | 0.429 | 73% | 0.734 | S | S | . | * | | | cis | 68.5 | 151 | 49.5 | 99.3 | 0 | 0 | 0 | 0 | 116.5 | R1365 | T1351-R1365 PolarHBondContact O-NH1 3.1Š|
| 1352 | K | 36.7 | Very low | 31.8 | Very low | 157 Ų | 157 | 141 Ų | 141 | 68% | 0.683 | 73% | 0.734 | S | S | * | * | | | trans | 55.2 | 134.5 | 161.9 | -58.9 | 161.8 | -165.5 | 165.4 | 0 | 119.3 | R1365 | K1352-R1365 VanDerWaalsContact C-NH2 3.32Å; K1352-R1365 PolarHBondContact O-NH1 3.42Å; K1352-R1365 PolarHBondContact O-NH2 2.7Å |
| 1353 | L | 33.6 | Very low | 31.7 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | cis | -143.2 | -161.2 | -1.7 | -147.8 | 72.8 | 0 | 0 | 0 | 110.6 | R1365 | L1353-R1365 PolarHBondContact O-NH2 3.29Š|
| 1354 | S | 33.5 | Very low | 31.8 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | | | trans | -58.4 | 151 | 173.3 | 56.6 | 0 | 0 | 0 | 0 | 112 | | |
| 1355 | D | 39.4 | Very low | 32 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | | | | -161.9 | 159.5 | 75.6 | -83.1 | -28 | 0 | 0 | 0 | 114.8 | | |
| 1356 | H | 31.8 | Very low | 32.3 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 60.2 | -170.8 | 162.6 | -123.6 | -120.1 | 0 | 0 | 0 | 119.1 | N1358 | H1356-N1358 WeakPolarHBondContact O-CB 3.41Å; H1356-N1358 VanDerWaalsContact O-CG 3.32Å; H1356-N1358 PolarHBondContact O-N 3.14Å; H1356-N1358 PolarHBondContact O-ND2 3.3Å; H1356-N1358 VanDerWaalsContact O-ND2 3.15Å |
| 1357 | K | 33.8 | Very low | 32.8 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 81% | 0.809 | 71% | 0.713 | S | S | * | * | | | trans | -50.1 | 117.9 | 179.8 | -65.8 | 171.3 | -178.2 | 172.2 | 0 | 110.1 | | |
| 1358 | N | 28.1 | Very low | 32.9 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 52% | 0.519 | 71% | 0.705 | S | S | . | * | | | cis | 62.2 | 43.2 | 18.3 | -70.8 | -31.6 | 0 | 0 | 0 | 115.2 | H1356 K1361 | H1356-N1358 WeakPolarHBondContact O-CB 3.41Å; H1356-N1358 VanDerWaalsContact O-CG 3.32Å; H1356-N1358 PolarHBondContact O-N 3.14Å; H1356-N1358 PolarHBondContact O-ND2 3.3Å; H1356-N1358 VanDerWaalsContact O-ND2 3.15Å; N1358-K1361 VanDerWaalsContact CG-CE 3.49Å; N1358-K1361 WeakPolarHBondContact OD1-CE 3.35Å; N1358-K1361 WeakPolarHBondContact OD1-CG 3.13Å |
| 1359 | I | 38.1 | Very low | 33.2 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | S | Bend | | -141.5 | 61.6 | 128.3 | -92 | 147 | 0 | 0 | 0 | 108.1 | | |
| 1360 | S | 34.3 | Very low | 33 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -177.1 | 59.5 | 157.6 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1361 | K | 30.3 | Very low | 33.1 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | | | trans | -63.2 | 137 | -166.5 | -81.3 | 169.1 | 176.5 | -179.4 | 0 | 114 | N1358 | N1358-K1361 VanDerWaalsContact CG-CE 3.49Å; N1358-K1361 WeakPolarHBondContact OD1-CE 3.35Å; N1358-K1361 WeakPolarHBondContact OD1-CG 3.13Å |
| 1362 | R | 35.5 | Very low | 33 | Very low | 239 Ų | 239 | 145.3 Ų | 145.3 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | | | trans | 61 | 92.4 | 175.2 | -63.7 | 178.3 | 173.8 | 168.1 | -4.3 | 113.3 | | |
| 1363 | I | 31.4 | Very low | 32.5 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | | | cis | 81.9 | 116.4 | 32.4 | -53.2 | 170.3 | 0 | 0 | 0 | 114.3 | R1365 | I1363-R1365 HydrophobicContact CG2-CG 4.39Š|
| 1364 | S | 32.4 | Very low | 32.4 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | | | trans | -89.6 | 135.6 | 169 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1365 | R | 32.8 | Very low | 32.3 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 49% | 0.491 | 74% | 0.744 | S | S | . | * | | | trans | -155.2 | 150.7 | 165.4 | -71.4 | -163.1 | -114.2 | 111.7 | -17.8 | 109 | T1351 K1352 L1353 I1363 | T1351-R1365 PolarHBondContact O-NH1 3.1Å; K1352-R1365 VanDerWaalsContact C-NH2 3.32Å; K1352-R1365 PolarHBondContact O-NH1 3.42Å; K1352-R1365 PolarHBondContact O-NH2 2.7Å; L1353-R1365 PolarHBondContact O-NH2 3.29Å; I1363-R1365 HydrophobicContact CG2-CG 4.39Å |
| 1366 | F | 33.3 | Very low | 31.6 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | | | cis | -164.1 | 109 | -39.6 | -140.9 | -72 | 0 | 0 | 0 | 106.6 | S1368 | F1366-S1368 PolarHBondContact O-N 3.35Š|
| 1367 | T | 31.8 | Very low | 31.6 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | trans | -83.8 | 96.9 | -179.7 | 48.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1368 | S | 29.3 | Very low | 31.3 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | | | trans | 36.6 | 154.3 | 133 | 55 | 0 | 0 | 0 | 0 | 122.9 | F1366 | F1366-S1368 PolarHBondContact O-N 3.35Š|
| 1369 | H | 31.4 | Very low | 31.6 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 73% | 0.731 | 75% | 0.754 | S | S | * | * | | | trans | 97.4 | 93.1 | 158.9 | -47.2 | -62.9 | 0 | 0 | 0 | 120.1 | | |
| 1370 | L | 28.8 | Very low | 31.4 | Very low | 143 Ų | 143 | 143 Ų | 143 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | | 79.6 | 102.4 | 124.2 | -67.3 | 163.3 | 0 | 0 | 0 | 121.9 | | |
| 1371 | L | 34 | Very low | 31.5 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | | | | 110.7 | 125.1 | 119.9 | -72 | 169.1 | 0 | 0 | 0 | 121.9 | | |
| 1372 | K | 32.4 | Very low | 32 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | | | trans | 66.1 | 135.9 | 151.8 | -60.2 | 165.1 | -177.1 | 177 | 0 | 117.9 | | |
| 1373 | G | 26.8 | Very low | 32 | Very low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | | | cis | 159.3 | 143.3 | -12 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1374 | N | 30.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | | | trans | 83.4 | 147.3 | 160.5 | -56.2 | -13 | 0 | 0 | 0 | 121.2 | | |
| 1375 | K | 31.7 | Very low | 32.5 | Very low | 201 Ų | 201 | 142.4 Ų | 142.4 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | 76.6 | 144.1 | 168.5 | -58.5 | -176.3 | -178.2 | -177.2 | 0 | 117.8 | | |
| 1376 | S | 26.2 | Very low | 32.5 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | | | cis | -177.7 | 171.3 | -34 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1377 | S | 31 | Very low | 32.5 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | 62.6 | 125.4 | 175.7 | 33.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1378 | L | 28.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | cis | 85.6 | 148.9 | 29.4 | -157.8 | 72.9 | 0 | 0 | 0 | 113.6 | | |
| 1379 | E | 34 | Very low | 32.5 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | 77.1 | 142.9 | 179.9 | -58.6 | 169.4 | -170.8 | 0 | 0 | 115.4 | | |
| 1380 | Q | 33.2 | Very low | 32.4 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | | | cis | -155.5 | 163.4 | -20.5 | -122.3 | 176.9 | -87.8 | 0 | 0 | 110.2 | | |
| 1381 | D | 36 | Very low | 32.5 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | | | trans | 22.8 | 132.2 | 149.7 | -46.4 | -20 | 0 | 0 | 0 | 122.2 | | |
| 1382 | D | 41.9 | Very low | 32.5 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | | -172.6 | 111.6 | 112.5 | -100.8 | -21.4 | 0 | 0 | 0 | 110.7 | | |
| 1383 | D | 35 | Very low | 32.6 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | | | trans | -95.8 | 143.1 | 171.2 | -81.9 | -67 | 0 | 0 | 0 | 110.5 | | |
| 1384 | D | 37.4 | Very low | 32.8 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | | -175.7 | 176.4 | 124.6 | -145.5 | -17.1 | 0 | 0 | 0 | 113.8 | | |
| 1385 | V | 38 | Very low | 33 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | 84.4 | 72.7 | 161.2 | -154.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1386 | S | 32.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | | 90.7 | 153.5 | 125.8 | 84.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1387 | K | 32 | Very low | 33 | Very low | 200 Ų | 200 | 152.5 Ų | 152.5 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | -132 | 144.1 | 175.6 | -64.3 | 163.5 | -178.1 | 160 | 0 | 108.4 | | |
| 1388 | P | 34 | Very low | 33.1 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | | -141.5 | 152.2 | 105.1 | 31.5 | -15.4 | 0 | 0 | 0 | 112.9 | | |
| 1389 | R | 27.8 | Very low | 33.2 | Very low | 226 Ų | 226 | 154.7 Ų | 154.7 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | cis | 88.2 | 77.9 | 32.6 | -169.6 | -172.7 | 166.3 | 146.6 | -4.8 | 115.2 | | |
| 1390 | S | 30 | Very low | 32.8 | Very low | 106 Ų | 106 | 159.4 Ų | 159.4 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | -170.2 | 132.2 | 142.8 | -154.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1391 | K | 30.8 | Very low | 32.6 | Very low | 175 Ų | 175 | 156.5 Ų | 156.5 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | | | | 59.1 | 132.2 | 52.4 | -60 | -171.3 | 179.9 | -169.8 | 0 | 113 | | |
| 1392 | S | 33.1 | Very low | 32.1 | Very low | 93 Ų | 93 | 159.3 Ų | 159.3 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | | | cis | -172.5 | 140.4 | -11 | 44.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1393 | L | 33.9 | Very low | 31.7 | Very low | 170 Ų | 170 | 161.9 Ų | 161.9 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -132 | 72.9 | 161.3 | -87.2 | 176.9 | 0 | 0 | 0 | 110.7 | R1395 | L1393-R1395 VanDerWaalsContact C-N 3.34Š|
| 1394 | T | 31.7 | Very low | 31.5 | Very low | 137 Ų | 137 | 160.3 Ų | 160.3 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -100.4 | 46.9 | 173.5 | -29.6 | 0 | 0 | 0 | 0 | 111 | | |
| 1395 | R | 34.6 | Very low | 31.4 | Very low | 219 Ų | 219 | 158.4 Ų | 158.4 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | -136.3 | 131 | 165.7 | -86.9 | -167.9 | 171.9 | 177.1 | -2.2 | 108 | L1393 | L1393-R1395 VanDerWaalsContact C-N 3.34Š|
| 1396 | L | 28.9 | Very low | 31.7 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | | | cis | -151.1 | 121.6 | -3.2 | -171.5 | 66.6 | 0 | 0 | 0 | 111 | T1398 | L1396-T1398 HydrophobicContact CD1-CG2 4.48Å; L1396-T1398 WeakPolarHBondContact CD2-OG1 3.39Å; L1396-T1398 HydrophobicContact CG-CG2 4.36Å; L1396-T1398 WeakPolarHBondContact CG-OG1 3.39Å; L1396-T1398 PolarHBondContact O-N 2.83Å |
| 1397 | K | 29.1 | Very low | 31.8 | Very low | 214 Ų | 214 | 155.1 Ų | 155.1 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | | | trans | -82.8 | 46.2 | 179.1 | -160.7 | -178 | 178.8 | -177.1 | 0 | 111.8 | | |
| 1398 | T | 33.8 | Very low | 31.9 | Very low | 92 Ų | 92 | 156.5 Ų | 156.5 | 56% | 0.564 | 75% | 0.747 | S | S | * | * | | | trans | -138.9 | 59.8 | -179.4 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | L1396 | L1396-T1398 HydrophobicContact CD1-CG2 4.48Å; L1396-T1398 WeakPolarHBondContact CD2-OG1 3.39Å; L1396-T1398 HydrophobicContact CG-CG2 4.36Å; L1396-T1398 WeakPolarHBondContact CG-OG1 3.39Å; L1396-T1398 PolarHBondContact O-N 2.83Å |
| 1399 | W | 29.4 | Very low | 31.8 | Very low | 226 Ų | 226 | 158.3 Ų | 158.3 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | | | trans | -134.5 | 49.1 | 142.1 | -147.8 | 57.9 | 0 | 0 | 0 | 112.2 | S1401 | W1399-S1401 VanDerWaalsContact C-N 3.27Š|
| 1400 | W | 25.8 | Very low | 32 | Very low | 260 Ų | 260 | 154.7 Ų | 154.7 | 99% | 0.985 | 74% | 0.739 | S | S | * | * | | | trans | -98.8 | 56 | 150.2 | -91.4 | 57.1 | 0 | 0 | 0 | 109 | | |
| 1401 | S | 28.3 | Very low | 32.1 | Very low | 82 Ų | 82 | 157.4 Ų | 157.4 | 57% | 0.573 | 74% | 0.739 | S | S | * | * | | | trans | -100.9 | 96.7 | 164.1 | -82.6 | 0 | 0 | 0 | 0 | 108.9 | W1399 | W1399-S1401 VanDerWaalsContact C-N 3.27Š|
| 1402 | K | 26.4 | Very low | 32.2 | Very low | 179 Ų | 179 | 156.4 Ų | 156.4 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | | | trans | 29.2 | 109.2 | 135.4 | -59.8 | 179.6 | 176.5 | -176.6 | 0 | 116.6 | | |
| 1403 | R | 32.1 | Very low | 32.2 | Very low | 224 Ų | 224 | 160.3 Ų | 160.3 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | | | | -175.8 | 138.7 | 105.1 | -91.9 | 145.8 | -179.6 | 160.9 | -3.9 | 107.1 | | |
| 1404 | N | 31.5 | Very low | 32 | Very low | 136 Ų | 136 | 159.7 Ų | 159.7 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | | 54.9 | 123.6 | 70.4 | -62.6 | 32.2 | 0 | 0 | 0 | 111 | | |
| 1405 | L | 36.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 161.3 Ų | 161.3 | 62% | 0.618 | 73% | 0.726 | S | S | * | * | | | cis | -152.1 | -174.5 | -8.7 | -144.6 | 93.6 | 0 | 0 | 0 | 105.1 | D900 | D900-L1405 VanDerWaalsContact OD1-CB 3.25Å; D900-L1405 WeakPolarHBondContact OD1-CB 3.13Å; D900-L1405 VanDerWaalsContact OD2-C 3.29Å |
| 1406 | P | 43.9 | Very low | 31.9 | Very low | 50 Ų | 50 | 156.8 Ų | 156.8 | 33% | 0.325 | 72% | 0.718 | S | S | . | * | | | trans | -103.8 | 108.3 | -171.9 | 37.5 | -32.8 | 0 | 0 | 0 | 116.8 | I897 L898 S899 D900 | I897-P1406 HydrophobicContact CG2-CB 3.83Å; I897-P1406 HydrophobicContact CG2-CG 3.19Å; L898-P1406 WeakPolarHBondContact CD2-O 3.15Å; S899-P1406 WeakPolarHBondContact CA-O 3.21Å; S899-P1406 PolarHBondContact N-O 2.91Å; D900-P1406 WeakPolarHBondContact OD1-CD 3.46Å |
| 1407 | H | 35.5 | Very low | 32.1 | Very low | 103 Ų | 103 | 159.5 Ų | 159.5 | 48% | 0.477 | 72% | 0.723 | S | S | . | * | | | | -87.3 | 161 | 129.5 | -60.7 | -74.3 | 0 | 0 | 0 | 110.5 | D900 | D900-H1407 PolarHBondContact N-CE1 3.08Å; D900-H1407 VanDerWaalsContact N-CE1 3.26Å; D900-H1407 PolarHBondContact N-NE2 2.73Å; D900-H1407 PolarHBondContact O-CE1 3.3Å; D900-H1407 PolarHBondContact O-NE2 2.9Å; D900-H1407 VanDerWaalsContact O-NE2 3.09Å; D900-H1407 IonicContact OD2-CD2 3.28Å; D900-H1407 PolarHBondContact OD2-CD2 3.28Å; D900-H1407 VanDerWaalsContact OD2-CD2 3.28Å; D900-H1407 IonicContact OD2-CG 3.83Å; D900-H1407 PolarHBondContact OD2-N 2.7Å; D900-H1407 VanDerWaalsContact OD2-N 3.13Å |
| 1408 | K | 33.6 | Very low | 32.4 | Very low | 230 Ų | 230 | 154.5 Ų | 154.5 | 100% | 1 | 70% | 0.704 | S | S | * | * | | | cis | -141.6 | 0 | -7.3 | -146.7 | -166.2 | 174.8 | -176.9 | 0 | 110.2 | L898 | L898-K1408 WeakPolarHBondContact CD1-OXT 3.43Š|