| 1 | M | 31.7 | Very low | 33.4 | Very low | 228 Ų | 228 | 155.6 Ų | 155.6 | 100% | 1.123 | 78% | 0.779 | S | S | * | * | | | | 0 | 134.4 | 0 | -65.6 | -53.7 | -171.4 | 0 | 0 | 109.1 | | |
| 2 | D | 31.8 | Very low | 33.8 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | 51.1 | 80.8 | 156.6 | -52.8 | -5.8 | 0 | 0 | 0 | 119.3 | K4 | D2-K4 PolarHBondContact O-N 3.03Š|
| 3 | K | 33.4 | Very low | 34.1 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 90% | 0.904 | 74% | 0.737 | S | S | * | * | | | trans | -68 | 107.9 | 152.8 | -77.7 | -176.7 | 176.2 | 177.7 | 0 | 109.2 | L5 | K3-L5 PolarHBondContact O-N 2.89Š|
| 4 | K | 30.3 | Very low | 34.5 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | | | trans | -61.7 | 125.7 | 165.4 | -71.6 | -178.3 | 177.4 | 178.2 | 0 | 109.5 | D2 | D2-K4 PolarHBondContact O-N 3.03Š|
| 5 | L | 34.2 | Very low | 35.1 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 81% | 0.806 | 70% | 0.704 | S | S | * | * | | | trans | -77.1 | 121.9 | 172.1 | -88.8 | 161.5 | 0 | 0 | 0 | 110 | K3 T7 | K3-L5 PolarHBondContact O-N 2.89Å; L5-T7 VanDerWaalsContact C-N 3.33Å; L5-T7 PolarHBondContact O-N 3.16Å |
| 6 | N | 29.1 | Very low | 35.3 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | | | trans | -76 | 79.4 | 178.1 | -75 | -17.8 | 0 | 0 | 0 | 111.4 | T8 L9 | N6-T8 PolarHBondContact O-N 2.94Å; N6-L9 HydrophobicContact CB-CD1 4.39Å |
| 7 | T | 31.4 | Very low | 35.6 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -0.1 | 177 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | L5 | L5-T7 VanDerWaalsContact C-N 3.33Å; L5-T7 PolarHBondContact O-N 3.16Å |
| 8 | T | 35.1 | Very low | 36 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 69% | 0.687 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -10.5 | -177.3 | 47 | 0 | 0 | 0 | 0 | 115.1 | N6 | N6-T8 PolarHBondContact O-N 2.94Š|
| 9 | L | 36.9 | Very low | 36.5 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -90 | -14.7 | -170.9 | -92.4 | 159.3 | 0 | 0 | 0 | 116 | N6 | N6-L9 HydrophobicContact CB-CD1 4.39Š|
| 10 | F | 33.5 | Very low | 36.6 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 67% | 0.671 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -88 | -14.1 | -174.1 | -88.6 | -81.7 | 0 | 0 | 0 | 115.5 | L14 | F10-L14 PolarHBondContact O-N 3Å |
| 11 | H | 40.4 | Very low | 36.8 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 66% | 0.662 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.2 | -38.4 | -174.6 | -143.3 | -58.3 | 0 | 0 | 0 | 114.7 | I15 | H11-I15 WeakPolarHBondContact ND1-CD1 3.17Å; H11-I15 WeakPolarHBondContact O-CG1 3.04Å |
| 12 | P | 37.7 | Very low | 37.4 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.6 | -39 | 176.2 | -19.4 | 33.3 | 0 | 0 | 0 | 112.9 | I15 N16 | P12-I15 PolarHBondContact O-N 2.88Å; P12-N16 PolarHBondContact O-N 3.22Å |
| 13 | A | 38 | Very low | 37.7 | Very low | 57 Ų | 57 | 118 Ų | 118 | 47% | 0.471 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66 | -41.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | N16 L17 | A13-N16 PolarHBondContact O-N 3.48Å; A13-L17 WeakPolarHBondContact O-CB 3.37Å; A13-L17 PolarHBondContact O-N 2.88Å |
| 14 | L | 39.6 | Very low | 37.8 | Very low | 104 Ų | 104 | 111.5 Ų | 111.5 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.1 | -33.8 | 175.2 | -96.4 | 159.5 | 0 | 0 | 0 | 112.9 | F10 T18 | F10-L14 PolarHBondContact O-N 3Å; L14-T18 WeakPolarHBondContact O-CB 3.36Å; L14-T18 WeakPolarHBondContact O-CG2 3.4Å; L14-T18 PolarHBondContact O-N 2.65Å; L14-T18 PolarHBondContact O-OG1 3.27Å |
| 15 | I | 43.6 | Very low | 38.3 | Very low | 86 Ų | 86 | 106.2 Ų | 106.2 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -45.6 | 174.1 | -68.9 | 173.3 | 0 | 0 | 0 | 110.3 | H11 P12 T18 T19 | H11-I15 WeakPolarHBondContact ND1-CD1 3.17Å; H11-I15 WeakPolarHBondContact O-CG1 3.04Å; P12-I15 PolarHBondContact O-N 2.88Å; I15-T18 PolarHBondContact O-N 3.14Å; I15-T18 PolarHBondContact O-OG1 2.88Å; I15-T19 HydrophobicContact CG2-CG2 4.48Å; I15-T19 WeakPolarHBondContact O-CG2 3.12Å; I15-T19 PolarHBondContact O-N 3.02Å; I15-T19 PolarHBondContact O-OG1 2.84Å; I15-T19 VanDerWaalsContact O-OG1 3.09Å |
| 16 | N | 37.8 | Very low | 38.6 | Very low | 114 Ų | 114 | 103.4 Ų | 103.4 | 61% | 0.61 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 175.3 | -91 | 5.1 | 0 | 0 | 0 | 112.8 | P12 A13 T18 T19 H20 | P12-N16 PolarHBondContact O-N 3.22Å; A13-N16 PolarHBondContact O-N 3.48Å; N16-T18 VanDerWaalsContact C-N 3.34Å; N16-T18 PolarHBondContact O-N 2.99Å; N16-T19 WeakPolarHBondContact CA-OG1 3.36Å; N16-T19 PolarHBondContact O-N 3.01Å; N16-T19 PolarHBondContact O-OG1 3.3Å; N16-H20 VanDerWaalsContact O-CB 3.29Å; N16-H20 WeakPolarHBondContact O-CB 3.19Å; N16-H20 PolarHBondContact O-N 3.4Å |
| 17 | L | 41 | Very low | 38.8 | Very low | 108 Ų | 108 | 102.7 Ų | 102.7 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 177.2 | -170.3 | 71.2 | 0 | 0 | 0 | 111.2 | A13 L21 | A13-L17 WeakPolarHBondContact O-CB 3.37Å; A13-L17 PolarHBondContact O-N 2.88Å; L17-L21 HydrophobicContact CG-CD1 4.26Å; L17-L21 WeakPolarHBondContact O-CB 3.21Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.41Å |
| 18 | T | 42.8 | Very low | 39 | Very low | 66 Ų | 66 | 104.4 Ų | 104.4 | 41% | 0.405 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.1 | -40.9 | 177.4 | 49 | 0 | 0 | 0 | 0 | 112.5 | L14 I15 N16 L21 F22 | L14-T18 WeakPolarHBondContact O-CB 3.36Å; L14-T18 WeakPolarHBondContact O-CG2 3.4Å; L14-T18 PolarHBondContact O-N 2.65Å; L14-T18 PolarHBondContact O-OG1 3.27Å; I15-T18 PolarHBondContact O-N 3.14Å; I15-T18 PolarHBondContact O-OG1 2.88Å; N16-T18 VanDerWaalsContact C-N 3.34Å; N16-T18 PolarHBondContact O-N 2.99Å; T18-L21 PolarHBondContact O-N 2.89Å; T18-F22 WeakPolarHBondContact O-CB 3.24Å; T18-F22 VanDerWaalsContact O-CD2 3.32Å; T18-F22 WeakPolarHBondContact O-CD2 3.27Å; T18-F22 PolarHBondContact O-N 3.07Å |
| 19 | T | 45.8 | Very low | 39 | Very low | 77 Ų | 77 | 107 Ų | 107 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 175.3 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | I15 N16 F22 H23 | I15-T19 HydrophobicContact CG2-CG2 4.48Å; I15-T19 WeakPolarHBondContact O-CG2 3.12Å; I15-T19 PolarHBondContact O-N 3.02Å; I15-T19 PolarHBondContact O-OG1 2.84Å; I15-T19 VanDerWaalsContact O-OG1 3.09Å; N16-T19 WeakPolarHBondContact CA-OG1 3.36Å; N16-T19 PolarHBondContact O-N 3.01Å; N16-T19 PolarHBondContact O-OG1 3.3Å; T19-F22 PolarHBondContact O-N 3.3Å; T19-H23 PolarHBondContact O-N 3.45Å |
| 20 | H | 38.3 | Very low | 38.9 | Very low | 124 Ų | 124 | 107.6 Ų | 107.6 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70 | -36.1 | 177.2 | -145.7 | -41.7 | 0 | 0 | 0 | 112.3 | N16 H23 N24 | N16-H20 VanDerWaalsContact O-CB 3.29Å; N16-H20 WeakPolarHBondContact O-CB 3.19Å; N16-H20 PolarHBondContact O-N 3.4Å; H20-H23 PolarHBondContact O-N 3.2Å; H20-N24 PolarHBondContact ND1-OD1 3.33Å; H20-N24 WeakPolarHBondContact O-CB 3.5Å; H20-N24 PolarHBondContact O-N 3.05Å; H20-N24 PolarHBondContact O-OD1 3.3Å |
| 21 | L | 41.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 106.2 Ų | 106.2 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 168.9 | -82.1 | 166.3 | 0 | 0 | 0 | 111.7 | L17 T18 N24 I25 | L17-L21 HydrophobicContact CG-CD1 4.26Å; L17-L21 WeakPolarHBondContact O-CB 3.21Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.41Å; T18-L21 PolarHBondContact O-N 2.89Å; L21-N24 PolarHBondContact O-N 2.87Å; L21-I25 VanDerWaalsContact O-CB 3.27Å; L21-I25 WeakPolarHBondContact O-CB 3.28Å; L21-I25 WeakPolarHBondContact O-CD1 3.05Å; L21-I25 WeakPolarHBondContact O-CG1 3.16Å; L21-I25 PolarHBondContact O-N 3.5Å |
| 22 | F | 43.7 | Very low | 37.8 | Very low | 125 Ų | 125 | 104.5 Ų | 104.5 | 55% | 0.548 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.5 | -93.7 | -73.2 | 0 | 0 | 0 | 112.5 | T18 T19 I25 I26 | T18-F22 WeakPolarHBondContact O-CB 3.24Å; T18-F22 VanDerWaalsContact O-CD2 3.32Å; T18-F22 WeakPolarHBondContact O-CD2 3.27Å; T18-F22 PolarHBondContact O-N 3.07Å; T19-F22 PolarHBondContact O-N 3.3Å; F22-I25 PolarHBondContact O-N 3.48Å; F22-I26 WeakPolarHBondContact O-CB 3.27Å; F22-I26 WeakPolarHBondContact O-CD1 3.3Å; F22-I26 WeakPolarHBondContact O-CG1 3.11Å; F22-I26 PolarHBondContact O-N 3.42Å |
| 23 | H | 38.5 | Very low | 37.4 | Very low | 110 Ų | 110 | 109.1 Ų | 109.1 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.1 | -52.3 | 174.7 | -143.4 | -83.3 | 0 | 0 | 0 | 110.4 | T19 H20 I25 I26 E27 | T19-H23 PolarHBondContact O-N 3.45Å; H20-H23 PolarHBondContact O-N 3.2Å; H23-I25 VanDerWaalsContact C-N 3.33Å; H23-I25 PolarHBondContact O-N 3.39Å; H23-I26 PolarHBondContact O-N 3.2Å; H23-I26 VanDerWaalsContact O-N 3.09Å; H23-E27 VanDerWaalsContact CE1-CD 3.46Å; H23-E27 IonicContact CE1-OE1 2.74Å; H23-E27 PolarHBondContact CE1-OE1 3.22Å; H23-E27 IonicContact CE1-OE2 3.61Å; H23-E27 PolarHBondContact CE1-OE2 2.84Å; H23-E27 IonicContact CG-OE2 3.43Å; H23-E27 IonicContact ND1-OE1 2.65Å; H23-E27 IonicContact ND1-OE2 3.86Å; H23-E27 PolarHBondContact ND1-OE2 2.89Å; H23-E27 PolarHBondContact O-N 3.24Å |
| 24 | N | 35.1 | Very low | 36.9 | Very low | 72 Ų | 72 | 114.1 Ų | 114.1 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59 | -40.8 | 177.6 | -67.8 | 11.1 | 0 | 0 | 0 | 112.2 | H20 L21 I26 H28 | H20-N24 PolarHBondContact ND1-OD1 3.33Å; H20-N24 WeakPolarHBondContact O-CB 3.5Å; H20-N24 PolarHBondContact O-N 3.05Å; H20-N24 PolarHBondContact O-OD1 3.3Å; L21-N24 PolarHBondContact O-N 2.87Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 2.92Å; N24-H28 VanDerWaalsContact O-CB 3.29Å; N24-H28 WeakPolarHBondContact O-CB 3.3Å; N24-H28 PolarHBondContact O-N 2.64Å |
| 25 | I | 41.2 | Very low | 36.3 | Very low | 84 Ų | 84 | 119 Ų | 119 | 43% | 0.431 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.6 | -28.9 | 178.4 | -72.3 | 166.3 | 0 | 0 | 0 | 112.3 | L21 F22 H23 K29 | L21-I25 VanDerWaalsContact O-CB 3.27Å; L21-I25 WeakPolarHBondContact O-CB 3.28Å; L21-I25 WeakPolarHBondContact O-CD1 3.05Å; L21-I25 WeakPolarHBondContact O-CG1 3.16Å; L21-I25 PolarHBondContact O-N 3.5Å; F22-I25 PolarHBondContact O-N 3.48Å; H23-I25 VanDerWaalsContact C-N 3.33Å; H23-I25 PolarHBondContact O-N 3.39Å; I25-K29 WeakPolarHBondContact O-CB 3.34Å; I25-K29 WeakPolarHBondContact O-CG 3.06Å |
| 26 | I | 39.1 | Very low | 35.4 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -79.9 | -43.2 | 176.6 | -71.2 | 167.2 | 0 | 0 | 0 | 110.4 | F22 H23 N24 K29 I30 | F22-I26 WeakPolarHBondContact O-CB 3.27Å; F22-I26 WeakPolarHBondContact O-CD1 3.3Å; F22-I26 WeakPolarHBondContact O-CG1 3.11Å; F22-I26 PolarHBondContact O-N 3.42Å; H23-I26 PolarHBondContact O-N 3.2Å; H23-I26 VanDerWaalsContact O-N 3.09Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 2.92Å; I26-K29 PolarHBondContact O-N 3.2Å; I26-I30 HydrophobicContact CG2-CD1 4.05Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 3.43Å |
| 27 | E | 34.1 | Very low | 34.8 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 48% | 0.477 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.7 | -44.4 | 179.3 | -70.6 | 178.8 | 128.9 | 0 | 0 | 112.5 | H23 K29 I30 N31 | H23-E27 VanDerWaalsContact CE1-CD 3.46Å; H23-E27 IonicContact CE1-OE1 2.74Å; H23-E27 PolarHBondContact CE1-OE1 3.22Å; H23-E27 IonicContact CE1-OE2 3.61Å; H23-E27 PolarHBondContact CE1-OE2 2.84Å; H23-E27 IonicContact CG-OE2 3.43Å; H23-E27 IonicContact ND1-OE1 2.65Å; H23-E27 IonicContact ND1-OE2 3.86Å; H23-E27 PolarHBondContact ND1-OE2 2.89Å; H23-E27 PolarHBondContact O-N 3.24Å; E27-K29 PolarHBondContact O-N 2.98Å; E27-K29 VanDerWaalsContact O-N 3.15Å; E27-I30 PolarHBondContact O-N 3.35Å; E27-N31 PolarHBondContact O-N 3.31Å; E27-N31 VanDerWaalsContact O-N 3.11Å |
| 28 | H | 35.1 | Very low | 34.2 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.755 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -13.6 | 172.8 | -89.5 | -78.7 | 0 | 0 | 0 | 114 | N24 | N24-H28 VanDerWaalsContact O-CB 3.29Å; N24-H28 WeakPolarHBondContact O-CB 3.3Å; N24-H28 PolarHBondContact O-N 2.64Å |
| 29 | K | 36.4 | Very low | 33.3 | Very low | 168 Ų | 168 | 128 Ų | 128 | 73% | 0.73 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -5.5 | 172.4 | -82.3 | -175.4 | 172.7 | 177.8 | 0 | 114.3 | I25 I26 E27 | I25-K29 WeakPolarHBondContact O-CB 3.34Å; I25-K29 WeakPolarHBondContact O-CG 3.06Å; I26-K29 PolarHBondContact O-N 3.2Å; E27-K29 PolarHBondContact O-N 2.98Å; E27-K29 VanDerWaalsContact O-N 3.15Å |
| 30 | I | 32.7 | Very low | 32.5 | Very low | 135 Ų | 135 | 131 Ų | 131 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | -28.9 | -179 | -68.3 | 173.1 | 0 | 0 | 0 | 111.5 | I26 E27 | I26-I30 HydrophobicContact CG2-CD1 4.05Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 3.43Å; E27-I30 PolarHBondContact O-N 3.35Å |
| 31 | N | 25 | Very low | 32 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -94.8 | 117.9 | 176.6 | -92.9 | -26.8 | 0 | 0 | 0 | 114.9 | E27 | E27-N31 PolarHBondContact O-N 3.31Å; E27-N31 VanDerWaalsContact O-N 3.11Å |
| 32 | T | 26.7 | Very low | 31.3 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 70.2 | 119.4 | 147.1 | 50.8 | 0 | 0 | 0 | 0 | 122 | N34 | T32-N34 PolarHBondContact O-N 3.43Å; T32-N34 VanDerWaalsContact O-N 3.12Å |
| 33 | Q | 28.9 | Very low | 30.7 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 76.3 | -21.8 | 138 | -65 | -179.5 | -1.5 | 0 | 0 | 121.7 | F35 | Q33-F35 PolarHBondContact O-N 3.43Š|
| 34 | N | 28.1 | Very low | 30.2 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 71% | 0.707 | S | S | * | * | | | trans | -89.1 | 15.4 | 177.4 | -83.2 | -20.9 | 0 | 0 | 0 | 116.1 | T32 K36 | T32-N34 PolarHBondContact O-N 3.43Å; T32-N34 VanDerWaalsContact O-N 3.12Å; N34-K36 VanDerWaalsContact C-N 3.34Å; N34-K36 PolarHBondContact O-N 2.94Å; N34-K36 VanDerWaalsContact O-N 3.13Å |
| 35 | F | 26.6 | Very low | 30.1 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | | | trans | -84.8 | 71.7 | 169.4 | -96.1 | -80 | 0 | 0 | 0 | 112.3 | Q33 | Q33-F35 PolarHBondContact O-N 3.43Š|
| 36 | K | 24.8 | Very low | 29.7 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | -133.2 | 156.4 | 157.8 | -83.6 | -175.8 | 176.2 | 176.4 | 0 | 109 | N34 | N34-K36 VanDerWaalsContact C-N 3.34Å; N34-K36 PolarHBondContact O-N 2.94Å; N34-K36 VanDerWaalsContact O-N 3.13Å |
| 37 | C | 24.9 | Very low | 29.5 | Very low | 129 Ų | 129 | 149 Ų | 149 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | trans | 66.7 | 60.5 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 38 | L | 27.9 | Very low | 29.5 | Very low | 170 Ų | 170 | 151 Ų | 151 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | -144.4 | 117.7 | 132.1 | -109 | 173.3 | 0 | 0 | 0 | 109.1 | L40 | L38-L40 PolarHBondContact O-N 2.86Š|
| 39 | G | 25.6 | Very low | 29.4 | Very low | 77 Ų | 77 | 149.5 Ų | 149.5 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -78.2 | 89.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 40 | L | 28.2 | Very low | 29 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | -115.3 | 54.6 | 165.8 | -73.2 | 175 | 0 | 0 | 0 | 111 | L38 I43 | L38-L40 PolarHBondContact O-N 2.86Å; L40-I43 HydrophobicContact CD2-CD1 4Å |
| 41 | Q | 27.1 | Very low | 28.8 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | | | trans | -81.6 | 127.5 | 170.2 | -166.6 | 164.7 | -1 | 0 | 0 | 108.8 | | |
| 42 | S | 27.4 | Very low | 29 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 47.1 | 88 | 176.3 | 51.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 43 | I | 30.4 | Very low | 29 | Very low | 95 Ų | 95 | 154.8 Ų | 154.8 | 49% | 0.487 | 78% | 0.782 | S | S | . | * | | | trans | -124.8 | 124.8 | 154.5 | -61.1 | 178.7 | 0 | 0 | 0 | 107.5 | L40 | L40-I43 HydrophobicContact CD2-CD1 4Š|
| 44 | D | 29.3 | Very low | 29 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | -63.6 | 145.8 | -172.8 | -90 | -52.6 | 0 | 0 | 0 | 114.2 | E46 | D44-E46 PolarHBondContact O-N 3.4Š|
| 45 | Y | 32 | Very low | 29 | Very low | 221 Ų | 221 | 149.8 Ų | 149.8 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -12 | -171.5 | -102.7 | -92.5 | 0 | 0 | 0 | 114.8 | | |
| 46 | E | 32.6 | Very low | 29 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -19.8 | -177.3 | -64.9 | -158.7 | 127.2 | 0 | 0 | 114.8 | D44 K48 | D44-E46 PolarHBondContact O-N 3.4Å; E46-K48 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.29Å |
| 47 | Q | 35.4 | Very low | 29 | Very low | 139 Ų | 139 | 145 Ų | 145 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -80.3 | -10.4 | -179.2 | -71 | -172.7 | -12.8 | 0 | 0 | 114.2 | E49 | Q47-E49 PolarHBondContact O-N 3.15Š|
| 48 | K | 33.3 | Very low | 29.2 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -80.4 | 5.9 | -169.6 | -101.2 | 174.2 | 179.7 | 165.3 | 0 | 117.2 | E46 | E46-K48 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.29Å |
| 49 | E | 33.4 | Very low | 28.9 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -96.6 | -13.6 | 173.5 | -64.6 | -147.5 | 129.7 | 0 | 0 | 114.7 | Q47 R145 | Q47-E49 PolarHBondContact O-N 3.15Å; E49-R145 IonicContact OE1-CZ 3.43Å; E49-R145 IonicContact OE1-NE 2.74Å; E49-R145 PolarHBondContact OE1-NE 3.4Å; E49-R145 IonicContact OE1-NH2 3.47Å; E49-R145 PolarHBondContact OE1-NH2 3.46Å; E49-R145 IonicContact OE2-NH2 3.9Å; E49-R145 PolarHBondContact OE2-NH2 3.49Å |
| 50 | N | 28.2 | Very low | 29 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -117 | 9.9 | -171.9 | -74.3 | -4.5 | 0 | 0 | 0 | 115.7 | | |
| 51 | Q | 29 | Very low | 28.8 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | | | trans | -126.8 | 65.5 | 176.8 | -73.4 | -175.5 | -17.8 | 0 | 0 | 111.8 | | |
| 52 | I | 30.1 | Very low | 28.7 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | | | trans | -117.1 | 53.4 | 160.2 | -47.3 | -177.9 | 0 | 0 | 0 | 108 | | |
| 53 | E | 26.8 | Very low | 28.6 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | | | trans | -146.2 | 66.4 | 174.3 | -169.2 | 160.1 | -131 | 0 | 0 | 107.8 | | |
| 54 | V | 28.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -126.7 | 123.9 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | L56 | V54-L56 PolarHBondContact O-N 3.4Š|
| 55 | V | 26.8 | Very low | 28.2 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | | | trans | -47.8 | 128 | -177.5 | 176.6 | 0 | 0 | 0 | 0 | 112.4 | Q57 | V55-Q57 HydrophobicContact CG1-CB 3.74Š|
| 56 | L | 27.7 | Very low | 27.9 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -118.6 | 76.4 | 157.1 | -79.3 | 178 | 0 | 0 | 0 | 108.7 | V54 F58 | V54-L56 PolarHBondContact O-N 3.4Å; L56-F58 HydrophobicContact CB-CD2 4.28Å; L56-F58 HydrophobicContact CB-CE2 4.44Å; L56-F58 HydrophobicContact CD1-CE2 4.43Å; L56-F58 HydrophobicContact CD2-CE2 4.05Å; L56-F58 PolarHBondContact O-N 3.24Å |
| 57 | Q | 24.8 | Very low | 27.6 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | -76 | 95.7 | 167.3 | -180 | 172.1 | -24.6 | 0 | 0 | 107.8 | V55 D59 | V55-Q57 HydrophobicContact CG1-CB 3.74Å; Q57-D59 PolarHBondContact NE2-OD2 3.42Å; Q57-D59 PolarHBondContact O-N 3.03Å |
| 58 | F | 28.2 | Very low | 27.2 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 69% | 0.689 | 75% | 0.751 | S | S | * | * | | | trans | -90.1 | 86.6 | 173.4 | -94.7 | -75.2 | 0 | 0 | 0 | 109.9 | L56 I60 | L56-F58 HydrophobicContact CB-CD2 4.28Å; L56-F58 HydrophobicContact CB-CE2 4.44Å; L56-F58 HydrophobicContact CD1-CE2 4.43Å; L56-F58 HydrophobicContact CD2-CE2 4.05Å; L56-F58 PolarHBondContact O-N 3.24Å; F58-I60 HydrophobicContact CD1-CD1 4.07Å; F58-I60 HydrophobicContact CD1-CG1 4.32Å; F58-I60 PolarHBondContact O-N 2.92Å; F58-I60 VanDerWaalsContact O-N 3.13Å |
| 59 | D | 22.7 | Very low | 26.9 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | -69.7 | 102.2 | 165.2 | -72.1 | -51.9 | 0 | 0 | 0 | 109.1 | Q57 | Q57-D59 PolarHBondContact NE2-OD2 3.42Å; Q57-D59 PolarHBondContact O-N 3.03Å |
| 60 | I | 27.9 | Very low | 26.5 | Very low | 143 Ų | 143 | 132 Ų | 132 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -125.8 | 66 | 170.8 | -49.1 | -177.7 | 0 | 0 | 0 | 109 | F58 | F58-I60 HydrophobicContact CD1-CD1 4.07Å; F58-I60 HydrophobicContact CD1-CG1 4.32Å; F58-I60 PolarHBondContact O-N 2.92Å; F58-I60 VanDerWaalsContact O-N 3.13Å |
| 61 | I | 23.8 | Very low | 26.4 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -133.2 | 146.1 | 161.9 | -56.9 | -178.5 | 0 | 0 | 0 | 106.3 | | |
| 62 | S | 24.5 | Very low | 26.3 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | 83.2 | 49.8 | 176.3 | -48.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 63 | S | 25.5 | Very low | 26.2 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -164.8 | 121.9 | 146.1 | -79 | 0 | 0 | 0 | 0 | 108.7 | | |
| 64 | S | 27.5 | Very low | 26.4 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | cis | -143.7 | 149 | 5.8 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 65 | S | 23 | Very low | 26.4 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | -145.7 | 101.7 | -178.7 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 66 | S | 25.2 | Very low | 26.6 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | -178.9 | 160.2 | 155.1 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 67 | S | 26.6 | Very low | 26.6 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | 63.5 | 135.8 | -170.3 | 75.2 | 0 | 0 | 0 | 0 | 116 | | |
| 68 | S | 26.9 | Very low | 26.8 | Very low | 88 Ų | 88 | 116.3 Ų | 116.3 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | | | cis | -163.2 | 161.4 | -18.9 | 42.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 69 | S | 26.6 | Very low | 26.9 | Very low | 119 Ų | 119 | 113 Ų | 113 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | trans | 69.5 | 137.6 | 159.9 | -50.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 70 | S | 25.4 | Very low | 27.2 | Very low | 101 Ų | 101 | 112.2 Ų | 112.2 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | -93.6 | 179.3 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 71 | S | 27.2 | Very low | 27.4 | Very low | 103 Ų | 103 | 111.6 Ų | 111.6 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | trans | 67 | 146.8 | 152.4 | 35.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 72 | S | 26.8 | Very low | 27.8 | Very low | 99 Ų | 99 | 111 Ų | 111 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | cis | -170.3 | 158.6 | -24.5 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 73 | S | 28.4 | Very low | 28.2 | Very low | 102 Ų | 102 | 111.5 Ų | 111.5 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | 46.3 | 134.4 | 139.1 | 64.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 74 | S | 29.4 | Very low | 28.4 | Very low | 125 Ų | 125 | 113.6 Ų | 113.6 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | | 178.7 | 173.2 | 126.3 | 49.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 75 | S | 30.1 | Very low | 28.8 | Very low | 101 Ų | 101 | 114.3 Ų | 114.3 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | cis | -146.2 | 179.4 | 12.8 | 82.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 76 | S | 29.8 | Very low | 29.1 | Very low | 91 Ų | 91 | 115.2 Ų | 115.2 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | cis | -164.8 | 147.3 | 0.3 | 22.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 77 | S | 28.5 | Very low | 29.4 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | 52.5 | -168.3 | 168.6 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 78 | S | 28.3 | Very low | 29.5 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | cis | -150 | 173.7 | 3.2 | 69.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 79 | S | 30.6 | Very low | 29.6 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | | | cis | -153 | 177.1 | 12.1 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 80 | T | 29.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | | | trans | 64.3 | 139.9 | 157.2 | 49 | 0 | 0 | 0 | 0 | 117.1 | | |
| 81 | N | 32 | Very low | 29.8 | Very low | 130 Ų | 130 | 126 Ų | 126 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | cis | -157.4 | 154 | 8.9 | -105.7 | -13.9 | 0 | 0 | 0 | 113 | | |
| 82 | N | 32.4 | Very low | 29.8 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | 64.9 | 130.5 | 142.2 | -63.1 | -2.4 | 0 | 0 | 0 | 125.7 | | |
| 83 | S | 33.3 | Very low | 30 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | 97.6 | 156.7 | 135.8 | -143.3 | 0 | 0 | 0 | 0 | 121 | | |
| 84 | L | 29.1 | Very low | 30 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | -146.6 | 120.4 | -159.2 | -179.9 | 91.2 | 0 | 0 | 0 | 110.9 | | |
| 85 | V | 35.9 | Very low | 30 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | -147.4 | 140.6 | 171.8 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 86 | N | 28.8 | Very low | 29.9 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -52.4 | 148.8 | -179.7 | -45.6 | -16.7 | 0 | 0 | 0 | 116.1 | | |
| 87 | N | 32.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | | -179.3 | 174.6 | 93.1 | -100.4 | -35.5 | 0 | 0 | 0 | 113.8 | | |
| 88 | N | 28.7 | Very low | 30.2 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -86.5 | 159.6 | -163.6 | -62.7 | -26.8 | 0 | 0 | 0 | 116.4 | | |
| 89 | N | 28.8 | Very low | 30.3 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | trans | 85.4 | 129.3 | 148.4 | -70.8 | -7.5 | 0 | 0 | 0 | 121.5 | | |
| 90 | T | 29 | Very low | 30.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | 73.8 | 136.8 | 151.2 | 52.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 91 | Y | 27 | Very low | 30.6 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | trans | 65.2 | 106.3 | 172.5 | -74.7 | -79.5 | 0 | 0 | 0 | 118.8 | | |
| 92 | T | 27.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | | | trans | 44.8 | 101.7 | 137.9 | 56.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 93 | E | 31.1 | Very low | 30.6 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | | | | -174.5 | 128.4 | 117.1 | -171.5 | 152.4 | -139.2 | 0 | 0 | 111.3 | | |
| 94 | C | 27.7 | Very low | 30.5 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 66% | 0.655 | 73% | 0.73 | S | S | * | * | | | trans | 28.3 | 84.1 | 163.6 | -57.7 | 0 | 0 | 0 | 0 | 119.3 | Y96 | C94-Y96 HydrophobicContact CB-CE2 4.31Å; C94-Y96 WeakPolarHBondContact O-CD2 3.45Å |
| 95 | D | 29 | Very low | 30.5 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | trans | -80.9 | 128.8 | 169.3 | -149.7 | -22.2 | 0 | 0 | 0 | 111.7 | T97 | D95-T97 VanDerWaalsContact C-N 3.35Å; D95-T97 PolarHBondContact O-N 3.39Å; D95-T97 VanDerWaalsContact O-N 3.13Å |
| 96 | Y | 27.1 | Very low | 30.2 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | | | trans | -90.9 | 38.3 | -159.1 | -99.4 | -95.9 | 0 | 0 | 0 | 114.9 | C94 L99 | C94-Y96 HydrophobicContact CB-CE2 4.31Å; C94-Y96 WeakPolarHBondContact O-CD2 3.45Å; Y96-L99 HydrophobicContact CD1-CD1 4.24Å; Y96-L99 HydrophobicContact CD1-CD2 4.15Å; Y96-L99 HydrophobicContact CE1-CD1 4.28Å; Y96-L99 HydrophobicContact CE1-CD2 4.35Å |
| 97 | T | 31.2 | Very low | 30.3 | Very low | 109 Ų | 109 | 142 Ų | 142 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | trans | -93.3 | -16.9 | -168.2 | 46 | 0 | 0 | 0 | 0 | 116.3 | D95 | D95-T97 VanDerWaalsContact C-N 3.35Å; D95-T97 PolarHBondContact O-N 3.39Å; D95-T97 VanDerWaalsContact O-N 3.13Å |
| 98 | N | 33.8 | Very low | 30.3 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 57% | 0.572 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -80.7 | -11.3 | 173.4 | -83.7 | 41.8 | 0 | 0 | 0 | 114.4 | F100 V101 D102 | N98-F100 PolarHBondContact O-N 2.85Å; N98-V101 PolarHBondContact O-N 2.77Å; N98-D102 WeakPolarHBondContact CB-OD2 3.33Å; N98-D102 PolarHBondContact ND2-OD2 3.42Å |
| 99 | L | 32 | Very low | 30.2 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 49% | 0.487 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | 2.7 | -163.6 | -144.4 | 86.6 | 0 | 0 | 0 | 116.2 | Y96 | Y96-L99 HydrophobicContact CD1-CD1 4.24Å; Y96-L99 HydrophobicContact CD1-CD2 4.15Å; Y96-L99 HydrophobicContact CE1-CD1 4.28Å; Y96-L99 HydrophobicContact CE1-CD2 4.35Å |
| 100 | F | 30.7 | Very low | 30.4 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 80% | 0.803 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 1.1 | 179.2 | -104.9 | -81.5 | 0 | 0 | 0 | 116.1 | N98 | N98-F100 PolarHBondContact O-N 2.85Š|
| 101 | V | 34.6 | Very low | 30.4 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 67% | 0.673 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -43 | 176.1 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | N98 R103 L104 | N98-V101 PolarHBondContact O-N 2.77Å; V101-R103 PolarHBondContact O-N 3.4Å; V101-R103 VanDerWaalsContact O-N 3.07Å; V101-L104 PolarHBondContact O-N 3.15Å |
| 102 | D | 32.2 | Very low | 31 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 41% | 0.412 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -69.1 | -8.6 | 177.9 | -66 | -39.4 | 0 | 0 | 0 | 113.6 | N98 L104 E106 | N98-D102 WeakPolarHBondContact CB-OD2 3.33Å; N98-D102 PolarHBondContact ND2-OD2 3.42Å; D102-L104 PolarHBondContact O-N 2.06Å; D102-E106 PolarHBondContact O-N 2.86Å |
| 103 | R | 32.2 | Very low | 31.3 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -74 | 2.8 | 174.1 | -94.5 | -173.5 | 173.4 | -164.8 | -0.2 | 115.5 | V101 | V101-R103 PolarHBondContact O-N 3.4Å; V101-R103 VanDerWaalsContact O-N 3.07Å |
| 104 | L | 31.9 | Very low | 31.8 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -118.4 | -6.5 | 176.7 | -87 | 164.4 | 0 | 0 | 0 | 114.7 | V101 D102 | V101-L104 PolarHBondContact O-N 3.15Å; D102-L104 PolarHBondContact O-N 2.06Å |
| 105 | T | 29.5 | Very low | 32.6 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -15.8 | -176.5 | 33.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 106 | E | 27.9 | Very low | 33.8 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | | | trans | -110.5 | 85.9 | 176.8 | -163.4 | 173.4 | -128.5 | 0 | 0 | 113.1 | D102 | D102-E106 PolarHBondContact O-N 2.86Š|
| 107 | Q | 31.1 | Very low | 35.1 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | | | trans | -137.7 | 69.4 | 153.5 | -166.4 | 158.1 | 105.9 | 0 | 0 | 111.1 | T109 | Q107-T109 PolarHBondContact O-N 3.4Å; Q107-T109 VanDerWaalsContact O-N 3.11Å |
| 108 | I | 32.4 | Very low | 36.8 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | | | trans | -63.5 | 106.7 | 167.1 | -64.8 | 171.6 | 0 | 0 | 0 | 108.3 | | |
| 109 | T | 28 | Very low | 38.5 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 52% | 0.515 | 65% | 0.645 | S | S | . | * | | | trans | 67.8 | 153.6 | 176.4 | 75.2 | 0 | 0 | 0 | 0 | 114.2 | Q107 N111 | Q107-T109 PolarHBondContact O-N 3.4Å; Q107-T109 VanDerWaalsContact O-N 3.11Å; T109-N111 HydrophobicContact CG2-CB 4.38Å |
| 110 | P | 32.1 | Very low | 40.7 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | | | cis | -88.9 | 111.4 | 36.4 | 31.9 | -36 | 0 | 0 | 0 | 115.3 | | |
| 111 | N | 30 | Very low | 43.1 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 68% | 0.679 | 63% | 0.628 | S | S | * | * | | | trans | -56 | 140.5 | 143.1 | -76.6 | -28.3 | 0 | 0 | 0 | 108.8 | T109 R113 | T109-N111 HydrophobicContact CG2-CB 4.38Å; N111-R113 VanDerWaalsContact C-N 3.35Å; N111-R113 PolarHBondContact O-N 2.86Å |
| 112 | E | 38 | Very low | 45.3 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 66% | 0.664 | 62% | 0.619 | S | S | * | * | | | trans | 55.5 | 28.8 | 148.8 | -60.4 | -111.2 | 119 | 0 | 0 | 118.8 | K114 | E112-K114 PolarHBondContact O-N 3.18Å; E112-K114 WeakPolarHBondContact OE1-CE 3.28Å; E112-K114 IonicContact OE1-NZ 3.42Å; E112-K114 PolarHBondContact OE1-NZ 3.46Å; E112-K114 IonicContact OE2-NZ 3.46Å; E112-K114 PolarHBondContact OE2-NZ 2.91Å |
| 113 | R | 34.6 | Very low | 47.6 | Very low | 208 Ų | 208 | 120.4 Ų | 120.4 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | | | trans | -74.1 | 61.3 | 151.8 | -76 | -168.3 | 178 | 172.1 | 3.3 | 110.4 | N111 S115 | N111-R113 VanDerWaalsContact C-N 3.35Å; N111-R113 PolarHBondContact O-N 2.86Å; R113-S115 PolarHBondContact O-N 3.27Å |
| 114 | K | 40.9 | Very low | 49.9 | Very low | 139 Ų | 139 | 114.1 Ų | 114.1 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | | | trans | -52 | 101.9 | 160.4 | -74.5 | 168.6 | 180 | 145 | 0 | 106.3 | E112 | E112-K114 PolarHBondContact O-N 3.18Å; E112-K114 WeakPolarHBondContact OE1-CE 3.28Å; E112-K114 IonicContact OE1-NZ 3.42Å; E112-K114 PolarHBondContact OE1-NZ 3.46Å; E112-K114 IonicContact OE2-NZ 3.46Å; E112-K114 PolarHBondContact OE2-NZ 2.91Å |
| 115 | S | 45.3 | Very low | 52.4 | Low | 50 Ų | 50 | 109.5 Ų | 109.5 | 35% | 0.35 | 59% | 0.586 | S | S | . | * | | | trans | -63.3 | 132.7 | -161.8 | 67.7 | 0 | 0 | 0 | 0 | 109.8 | R113 F117 V118 T119 | R113-S115 PolarHBondContact O-N 3.27Å; S115-F117 PolarHBondContact O-N 2.92Å; S115-V118 PolarHBondContact O-N 3.47Å; S115-V118 WeakPolarHBondContact OG-CG2 3.39Å; S115-V118 PolarHBondContact OG-N 3.16Å; S115-T119 PolarHBondContact O-N 3.47Å; S115-T119 PolarHBondContact O-OG1 2.83Å |
| 116 | P | 53.9 | Low | 55.1 | Low | 98 Ų | 98 | 109 Ų | 109 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.2 | -27.1 | -179.2 | 22.9 | -33.1 | 0 | 0 | 0 | 110.7 | T119 I120 | P116-T119 PolarHBondContact O-N 2.95Å; P116-I120 HydrophobicContact CB-CD1 4.45Å; P116-I120 VanDerWaalsContact O-CB 3.25Å; P116-I120 WeakPolarHBondContact O-CB 3.42Å; P116-I120 WeakPolarHBondContact O-CD1 3.45Å; P116-I120 WeakPolarHBondContact O-CG1 3.38Å; P116-I120 PolarHBondContact O-N 3.5Å |
| 117 | F | 55.4 | Low | 58 | Low | 155 Ų | 155 | 105.8 Ų | 105.8 | 68% | 0.68 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.2 | -44.9 | 173.1 | -156.5 | -90.1 | 0 | 0 | 0 | 113.6 | S115 I120 V121 | S115-F117 PolarHBondContact O-N 2.92Å; F117-I120 PolarHBondContact O-N 3.21Å; F117-V121 HydrophobicContact CD1-CG2 3.93Å; F117-V121 HydrophobicContact CE1-CG2 3.77Å; F117-V121 HydrophobicContact CZ-CG2 4.5Å; F117-V121 WeakPolarHBondContact O-CB 3.43Å; F117-V121 VanDerWaalsContact O-CG2 3.26Å; F117-V121 WeakPolarHBondContact O-CG2 3.32Å; F117-V121 PolarHBondContact O-N 3.44Å |
| 118 | V | 66.8 | Low | 60.5 | Low | 90 Ų | 90 | 101.4 Ų | 101.4 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 176 | 170 | 0 | 0 | 0 | 0 | 110.5 | S115 I120 V121 V122 | S115-V118 PolarHBondContact O-N 3.47Å; S115-V118 WeakPolarHBondContact OG-CG2 3.39Å; S115-V118 PolarHBondContact OG-N 3.16Å; V118-I120 PolarHBondContact O-N 2.8Å; V118-V121 PolarHBondContact O-N 3.47Å; V118-V122 HydrophobicContact CG1-CG2 4.42Å; V118-V122 WeakPolarHBondContact O-CB 3.45Å; V118-V122 WeakPolarHBondContact O-CG2 3.47Å; V118-V122 PolarHBondContact O-N 2.91Å |
| 119 | T | 69.9 | Low | 63.1 | Low | 89 Ų | 89 | 98.6 Ų | 98.6 | 55% | 0.546 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.3 | -43.5 | 0 | 0 | 0 | 0 | 112 | S115 P116 C123 | S115-T119 PolarHBondContact O-N 3.47Å; S115-T119 PolarHBondContact O-OG1 2.83Å; P116-T119 PolarHBondContact O-N 2.95Å; T119-C123 VanDerWaalsContact O-CB 3.25Å; T119-C123 WeakPolarHBondContact O-CB 3.32Å; T119-C123 PolarHBondContact O-N 3.27Å |
| 120 | I | 78.3 | Confident | 65.9 | Low | 102 Ų | 102 | 100.5 Ų | 100.5 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 175.3 | -72.1 | 163.2 | 0 | 0 | 0 | 110.8 | P116 F117 V118 C123 C124 | P116-I120 HydrophobicContact CB-CD1 4.45Å; P116-I120 VanDerWaalsContact O-CB 3.25Å; P116-I120 WeakPolarHBondContact O-CB 3.42Å; P116-I120 WeakPolarHBondContact O-CD1 3.45Å; P116-I120 WeakPolarHBondContact O-CG1 3.38Å; P116-I120 PolarHBondContact O-N 3.5Å; F117-I120 PolarHBondContact O-N 3.21Å; V118-I120 PolarHBondContact O-N 2.8Å; I120-C123 PolarHBondContact O-N 3.06Å; I120-C124 WeakPolarHBondContact O-CB 3.42Å; I120-C124 PolarHBondContact O-N 2.89Å; I120-C124 PolarHBondContact O-SG 3.03Å; I120-C124 VanDerWaalsContact O-SG 3.35Å |
| 121 | V | 79.4 | Confident | 68.4 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 176.7 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | F117 V118 C123 C124 C125 | F117-V121 HydrophobicContact CD1-CG2 3.93Å; F117-V121 HydrophobicContact CE1-CG2 3.77Å; F117-V121 HydrophobicContact CZ-CG2 4.5Å; F117-V121 WeakPolarHBondContact O-CB 3.43Å; F117-V121 VanDerWaalsContact O-CG2 3.26Å; F117-V121 WeakPolarHBondContact O-CG2 3.32Å; F117-V121 PolarHBondContact O-N 3.44Å; V118-V121 PolarHBondContact O-N 3.47Å; V121-C123 PolarHBondContact O-N 3.26Å; V121-C124 PolarHBondContact O-N 2.68Å; V121-C125 PolarHBondContact O-N 3.44Å; V121-C125 PolarHBondContact O-SG 3.06Å |
| 122 | V | 80.9 | Confident | 71.2 | Confident | 77 Ų | 77 | 100.8 Ų | 100.8 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | V118 C125 I126 | V118-V122 HydrophobicContact CG1-CG2 4.42Å; V118-V122 WeakPolarHBondContact O-CB 3.45Å; V118-V122 WeakPolarHBondContact O-CG2 3.47Å; V118-V122 PolarHBondContact O-N 2.91Å; V122-C125 PolarHBondContact O-N 2.98Å; V122-I126 HydrophobicContact CG1-CD1 3.83Å; V122-I126 VanDerWaalsContact O-CG1 3.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.07Å; V122-I126 PolarHBondContact O-N 3.37Å |
| 123 | C | 80.5 | Confident | 73.5 | Confident | 62 Ų | 62 | 98.6 Ų | 98.6 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 174.8 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | T119 I120 V121 C125 I126 L127 | T119-C123 VanDerWaalsContact O-CB 3.25Å; T119-C123 WeakPolarHBondContact O-CB 3.32Å; T119-C123 PolarHBondContact O-N 3.27Å; I120-C123 PolarHBondContact O-N 3.06Å; V121-C123 PolarHBondContact O-N 3.26Å; C123-C125 VanDerWaalsContact C-N 3.34Å; C123-C125 PolarHBondContact O-N 2.79Å; C123-I126 PolarHBondContact O-N 3.47Å; C123-L127 WeakPolarHBondContact O-CB 3.33Å; C123-L127 WeakPolarHBondContact O-CG 3.18Å; C123-L127 PolarHBondContact O-N 2.8Å |
| 124 | C | 81.6 | Confident | 76.1 | Confident | 67 Ų | 67 | 90.7 Ų | 90.7 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 174.4 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | I120 V121 T128 | I120-C124 WeakPolarHBondContact O-CB 3.42Å; I120-C124 PolarHBondContact O-N 2.89Å; I120-C124 PolarHBondContact O-SG 3.03Å; I120-C124 VanDerWaalsContact O-SG 3.35Å; V121-C124 PolarHBondContact O-N 2.68Å; C124-T128 WeakPolarHBondContact O-CB 3.5Å; C124-T128 VanDerWaalsContact O-CG2 3.3Å; C124-T128 WeakPolarHBondContact O-CG2 3.39Å; C124-T128 PolarHBondContact O-N 2.8Å; C124-T128 PolarHBondContact O-OG1 3.42Å |
| 125 | C | 83.6 | Confident | 78.1 | Confident | 69 Ų | 69 | 88.8 Ų | 88.8 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 172.3 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | V121 V122 C123 T128 T129 | V121-C125 PolarHBondContact O-N 3.44Å; V121-C125 PolarHBondContact O-SG 3.06Å; V122-C125 PolarHBondContact O-N 2.98Å; C123-C125 VanDerWaalsContact C-N 3.34Å; C123-C125 PolarHBondContact O-N 2.79Å; C125-T128 WeakPolarHBondContact CA-OG1 3.21Å; C125-T128 PolarHBondContact O-OG1 3.21Å; C125-T129 WeakPolarHBondContact O-CB 3.18Å; C125-T129 VanDerWaalsContact O-CG2 3.3Å; C125-T129 WeakPolarHBondContact O-CG2 3.18Å; C125-T129 PolarHBondContact O-N 2.84Å; C125-T129 PolarHBondContact O-OG1 2.83Å |
| 126 | I | 87.2 | Confident | 79.9 | Confident | 106 Ų | 106 | 93.9 Ų | 93.9 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 175.7 | -68.5 | 164.8 | 0 | 0 | 0 | 110.7 | V122 C123 T129 F130 | V122-I126 HydrophobicContact CG1-CD1 3.83Å; V122-I126 VanDerWaalsContact O-CG1 3.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.07Å; V122-I126 PolarHBondContact O-N 3.37Å; C123-I126 PolarHBondContact O-N 3.47Å; I126-T129 PolarHBondContact O-OG1 3.37Å; I126-T129 VanDerWaalsContact O-OG1 3.06Å; I126-F130 VanDerWaalsContact O-CB 3.26Å; I126-F130 WeakPolarHBondContact O-CB 3.38Å; I126-F130 PolarHBondContact O-N 3.05Å |
| 127 | L | 87.7 | Confident | 81.4 | Confident | 84 Ų | 84 | 94.2 Ų | 94.2 | 44% | 0.44 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 177.8 | -71.6 | 170.5 | 0 | 0 | 0 | 111.8 | C123 F130 F131 | C123-L127 WeakPolarHBondContact O-CB 3.33Å; C123-L127 WeakPolarHBondContact O-CG 3.18Å; C123-L127 PolarHBondContact O-N 2.8Å; L127-F130 PolarHBondContact O-N 2.84Å; L127-F131 WeakPolarHBondContact O-CD2 3.48Å; L127-F131 PolarHBondContact O-N 2.84Å |
| 128 | T | 85.1 | Confident | 82.6 | Confident | 79 Ų | 79 | 94.9 Ų | 94.9 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 177.9 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | C124 C125 F130 F131 L132 | C124-T128 WeakPolarHBondContact O-CB 3.5Å; C124-T128 VanDerWaalsContact O-CG2 3.3Å; C124-T128 WeakPolarHBondContact O-CG2 3.39Å; C124-T128 PolarHBondContact O-N 2.8Å; C124-T128 PolarHBondContact O-OG1 3.42Å; C125-T128 WeakPolarHBondContact CA-OG1 3.21Å; C125-T128 PolarHBondContact O-OG1 3.21Å; T128-F130 VanDerWaalsContact C-N 3.34Å; T128-F130 PolarHBondContact O-N 2.93Å; T128-F131 PolarHBondContact O-N 3.13Å; T128-L132 WeakPolarHBondContact O-CB 3.24Å; T128-L132 VanDerWaalsContact O-CG 3.29Å; T128-L132 WeakPolarHBondContact O-CG 3.39Å; T128-L132 PolarHBondContact O-N 3.12Å |
| 129 | T | 85.4 | Confident | 83.2 | Confident | 79 Ų | 79 | 93.8 Ų | 93.8 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 173.4 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | C125 I126 L132 L133 | C125-T129 WeakPolarHBondContact O-CB 3.18Å; C125-T129 VanDerWaalsContact O-CG2 3.3Å; C125-T129 WeakPolarHBondContact O-CG2 3.18Å; C125-T129 PolarHBondContact O-N 2.84Å; C125-T129 PolarHBondContact O-OG1 2.83Å; I126-T129 PolarHBondContact O-OG1 3.37Å; I126-T129 VanDerWaalsContact O-OG1 3.06Å; T129-L132 PolarHBondContact O-N 3.26Å; T129-L133 VanDerWaalsContact O-CB 3.3Å; T129-L133 WeakPolarHBondContact O-CB 3.36Å; T129-L133 PolarHBondContact O-N 3.41Å |
| 130 | F | 87.9 | Confident | 83.6 | Confident | 125 Ų | 125 | 97.1 Ų | 97.1 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 172.6 | -172.2 | -97.6 | 0 | 0 | 0 | 112.4 | I126 L127 T128 L132 L133 V134 | I126-F130 VanDerWaalsContact O-CB 3.26Å; I126-F130 WeakPolarHBondContact O-CB 3.38Å; I126-F130 PolarHBondContact O-N 3.05Å; L127-F130 PolarHBondContact O-N 2.84Å; T128-F130 VanDerWaalsContact C-N 3.34Å; T128-F130 PolarHBondContact O-N 2.93Å; F130-L132 PolarHBondContact O-N 3.22Å; F130-L133 PolarHBondContact O-N 3.11Å; F130-V134 HydrophobicContact CD1-CG2 4.08Å; F130-V134 HydrophobicContact CE1-CG2 3.76Å; F130-V134 HydrophobicContact CZ-CG2 4.08Å; F130-V134 WeakPolarHBondContact O-CG2 3.18Å; F130-V134 PolarHBondContact O-N 3.36Å |
| 131 | F | 84.2 | Confident | 83.5 | Confident | 132 Ų | 132 | 94.5 Ų | 94.5 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 174.4 | -79.6 | -61.4 | 0 | 0 | 0 | 112 | L127 T128 V134 L135 | L127-F131 WeakPolarHBondContact O-CD2 3.48Å; L127-F131 PolarHBondContact O-N 2.84Å; T128-F131 PolarHBondContact O-N 3.13Å; F131-V134 PolarHBondContact O-N 3.15Å; F131-L135 WeakPolarHBondContact O-CB 3.35Å; F131-L135 VanDerWaalsContact O-CG 3.3Å; F131-L135 WeakPolarHBondContact O-CG 3.21Å; F131-L135 PolarHBondContact O-N 3.29Å |
| 132 | L | 88.1 | Confident | 83.2 | Confident | 97 Ų | 97 | 97 Ų | 97 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 172.9 | -73.2 | 171.2 | 0 | 0 | 0 | 111.6 | T128 T129 F130 L135 F136 | T128-L132 WeakPolarHBondContact O-CB 3.24Å; T128-L132 VanDerWaalsContact O-CG 3.29Å; T128-L132 WeakPolarHBondContact O-CG 3.39Å; T128-L132 PolarHBondContact O-N 3.12Å; T129-L132 PolarHBondContact O-N 3.26Å; F130-L132 PolarHBondContact O-N 3.22Å; L132-L135 PolarHBondContact O-N 3.34Å; L132-F136 WeakPolarHBondContact O-CB 3.49Å; L132-F136 WeakPolarHBondContact O-CD2 3.36Å; L132-F136 PolarHBondContact O-N 3.09Å |
| 133 | L | 87.7 | Confident | 82.9 | Confident | 96 Ų | 96 | 97.7 Ų | 97.7 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.6 | -169.9 | 154.3 | 0 | 0 | 0 | 111.6 | T129 F130 F136 L137 | T129-L133 VanDerWaalsContact O-CB 3.3Å; T129-L133 WeakPolarHBondContact O-CB 3.36Å; T129-L133 PolarHBondContact O-N 3.41Å; F130-L133 PolarHBondContact O-N 3.11Å; L133-F136 PolarHBondContact O-N 3.03Å; L133-L137 HydrophobicContact CD2-CD1 3.62Å; L133-L137 HydrophobicContact CD2-CG 4.08Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.06Å |
| 134 | V | 87.8 | Confident | 82.2 | Confident | 42 Ų | 42 | 101.8 Ų | 101.8 | 26% | 0.255 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 174.1 | 171 | 0 | 0 | 0 | 0 | 111.4 | F130 F131 L137 R138 | F130-V134 HydrophobicContact CD1-CG2 4.08Å; F130-V134 HydrophobicContact CE1-CG2 3.76Å; F130-V134 HydrophobicContact CZ-CG2 4.08Å; F130-V134 WeakPolarHBondContact O-CG2 3.18Å; F130-V134 PolarHBondContact O-N 3.36Å; F131-V134 PolarHBondContact O-N 3.15Å; V134-L137 PolarHBondContact O-N 3.47Å; V134-R138 WeakPolarHBondContact O-CB 3.41Å; V134-R138 WeakPolarHBondContact O-CG 3.41Å; V134-R138 PolarHBondContact O-N 2.74Å |
| 135 | L | 84 | Confident | 81.4 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 172.4 | -76.3 | 166.4 | 0 | 0 | 0 | 111.5 | F131 L132 L137 R138 C139 | F131-L135 WeakPolarHBondContact O-CB 3.35Å; F131-L135 VanDerWaalsContact O-CG 3.3Å; F131-L135 WeakPolarHBondContact O-CG 3.21Å; F131-L135 PolarHBondContact O-N 3.29Å; L132-L135 PolarHBondContact O-N 3.34Å; L135-L137 VanDerWaalsContact C-N 3.35Å; L135-L137 PolarHBondContact O-N 2.66Å; L135-R138 PolarHBondContact O-N 3.43Å; L135-C139 VanDerWaalsContact O-CB 3.29Å; L135-C139 WeakPolarHBondContact O-CB 3.46Å; L135-C139 PolarHBondContact O-N 2.88Å; L135-C139 PolarHBondContact O-SG 2.84Å; L135-C139 VanDerWaalsContact O-SG 3.35Å |
| 136 | F | 83.8 | Confident | 80.6 | Confident | 158 Ų | 158 | 106.7 Ų | 106.7 | 69% | 0.693 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -39.1 | 174.7 | -95.2 | -74.7 | 0 | 0 | 0 | 112.3 | L132 L133 R140 | L132-F136 WeakPolarHBondContact O-CB 3.49Å; L132-F136 WeakPolarHBondContact O-CD2 3.36Å; L132-F136 PolarHBondContact O-N 3.09Å; L133-F136 PolarHBondContact O-N 3.03Å; F136-R140 WeakPolarHBondContact O-CB 3.48Å; F136-R140 PolarHBondContact O-N 3.4Å |
| 137 | L | 84.1 | Confident | 79.4 | Confident | 105 Ų | 105 | 107 Ų | 107 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 173.9 | -73 | 178.6 | 0 | 0 | 0 | 112.1 | L133 V134 L135 R140 S141 | L133-L137 HydrophobicContact CD2-CD1 3.62Å; L133-L137 HydrophobicContact CD2-CG 4.08Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.06Å; V134-L137 PolarHBondContact O-N 3.47Å; L135-L137 VanDerWaalsContact C-N 3.35Å; L135-L137 PolarHBondContact O-N 2.66Å; L137-R140 PolarHBondContact O-N 3.43Å; L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.45Å |
| 138 | R | 80.5 | Confident | 78.2 | Confident | 168 Ų | 168 | 108 Ų | 108 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 173.9 | -77.9 | 179.9 | 170.3 | -179.2 | -2.6 | 111.3 | V134 L135 S141 F142 | V134-R138 WeakPolarHBondContact O-CB 3.41Å; V134-R138 WeakPolarHBondContact O-CG 3.41Å; V134-R138 PolarHBondContact O-N 2.74Å; L135-R138 PolarHBondContact O-N 3.43Å; R138-S141 PolarHBondContact O-N 2.86Å; R138-F142 WeakPolarHBondContact O-CB 3.29Å; R138-F142 PolarHBondContact O-N 3.47Å |
| 139 | C | 80 | Confident | 76.8 | Confident | 68 Ų | 68 | 109.7 Ų | 109.7 | 46% | 0.459 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 174.3 | -75.3 | 0 | 0 | 0 | 0 | 112.3 | L135 S141 F142 I143 | L135-C139 VanDerWaalsContact O-CB 3.29Å; L135-C139 WeakPolarHBondContact O-CB 3.46Å; L135-C139 PolarHBondContact O-N 2.88Å; L135-C139 PolarHBondContact O-SG 2.84Å; L135-C139 VanDerWaalsContact O-SG 3.35Å; C139-S141 VanDerWaalsContact C-N 3.34Å; C139-S141 PolarHBondContact O-N 3.29Å; C139-F142 PolarHBondContact O-N 2.74Å; C139-I143 WeakPolarHBondContact O-CB 3.34Å; C139-I143 WeakPolarHBondContact O-CD1 3.23Å; C139-I143 WeakPolarHBondContact O-CG1 3.29Å; C139-I143 PolarHBondContact O-N 2.92Å |
| 140 | R | 78.1 | Confident | 75.3 | Confident | 158 Ų | 158 | 113.8 Ų | 113.8 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 176.1 | -170.7 | 174.8 | 180 | 116 | -7.9 | 111.7 | F136 L137 R144 | F136-R140 WeakPolarHBondContact O-CB 3.48Å; F136-R140 PolarHBondContact O-N 3.4Å; L137-R140 PolarHBondContact O-N 3.43Å; R140-R144 WeakPolarHBondContact O-CB 3.23Å; R140-R144 VanDerWaalsContact O-CG 3.32Å; R140-R144 WeakPolarHBondContact O-CG 3.47Å; R140-R144 PolarHBondContact O-N 3.17Å |
| 141 | S | 75.1 | Confident | 73.6 | Confident | 48 Ų | 48 | 117.4 Ų | 117.4 | 34% | 0.336 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 171.5 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | L137 R138 C139 I143 R144 R145 | L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.45Å; R138-S141 PolarHBondContact O-N 2.86Å; C139-S141 VanDerWaalsContact C-N 3.34Å; C139-S141 PolarHBondContact O-N 3.29Å; S141-I143 PolarHBondContact O-N 3.36Å; S141-R144 PolarHBondContact O-N 3.35Å; S141-R145 WeakPolarHBondContact O-CB 3.43Å; S141-R145 WeakPolarHBondContact O-CG 3.41Å; S141-R145 PolarHBondContact O-N 2.79Å |
| 142 | F | 73.2 | Confident | 71.9 | Confident | 119 Ų | 119 | 121.5 Ų | 121.5 | 52% | 0.522 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 176.9 | -173.9 | -114 | 0 | 0 | 0 | 112.8 | R138 C139 R145 K146 | R138-F142 WeakPolarHBondContact O-CB 3.29Å; R138-F142 PolarHBondContact O-N 3.47Å; C139-F142 PolarHBondContact O-N 2.74Å; F142-R145 PolarHBondContact O-N 2.87Å; F142-K146 HydrophobicContact CD1-CD 4.33Å; F142-K146 HydrophobicContact CE1-CD 3.92Å; F142-K146 VanDerWaalsContact CE1-CE 3.44Å; F142-K146 HydrophobicContact CZ-CD 4.27Å; F142-K146 VanDerWaalsContact CZ-CE 3.49Å; F142-K146 WeakPolarHBondContact O-CB 3.19Å; F142-K146 PolarHBondContact O-N 3.49Å |
| 143 | I | 75.5 | Confident | 69.7 | Low | 91 Ų | 91 | 126.9 Ų | 126.9 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.1 | -45.2 | 172.7 | -70.4 | 163.6 | 0 | 0 | 0 | 110.3 | C139 S141 K146 Q147 | C139-I143 WeakPolarHBondContact O-CB 3.34Å; C139-I143 WeakPolarHBondContact O-CD1 3.23Å; C139-I143 WeakPolarHBondContact O-CG1 3.29Å; C139-I143 PolarHBondContact O-N 2.92Å; S141-I143 PolarHBondContact O-N 3.36Å; I143-K146 CarbonylContact O-C 2.89Å; I143-K146 PolarHBondContact O-N 3.24Å; I143-Q147 HydrophobicContact CG2-CG 4.45Å; I143-Q147 WeakPolarHBondContact O-CB 3.3Å; I143-Q147 WeakPolarHBondContact O-CG 3.38Å; I143-Q147 PolarHBondContact O-N 3.48Å |
| 144 | R | 65.3 | Low | 67.1 | Low | 148 Ų | 148 | 128.2 Ų | 128.2 | 56% | 0.558 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.3 | -46.3 | 173.8 | -79.2 | 174.6 | 167.7 | -174.7 | -6.2 | 111.9 | R140 S141 K146 Q147 L148 | R140-R144 WeakPolarHBondContact O-CB 3.23Å; R140-R144 VanDerWaalsContact O-CG 3.32Å; R140-R144 WeakPolarHBondContact O-CG 3.47Å; R140-R144 PolarHBondContact O-N 3.17Å; S141-R144 PolarHBondContact O-N 3.35Å; R144-K146 PolarHBondContact O-N 3.32Å; R144-Q147 PolarHBondContact O-N 2.98Å; R144-Q147 VanDerWaalsContact O-N 3.16Å; R144-L148 WeakPolarHBondContact O-CG 3.26Å; R144-L148 PolarHBondContact O-N 2.85Å |
| 145 | R | 65.8 | Low | 64.5 | Low | 122 Ų | 122 | 131.9 Ų | 131.9 | 46% | 0.46 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.1 | -42.6 | 174.1 | -73.6 | 178.2 | 173.1 | 179.9 | -1.7 | 111.4 | E49 S141 F142 L148 L149 | E49-R145 IonicContact OE1-CZ 3.43Å; E49-R145 IonicContact OE1-NE 2.74Å; E49-R145 PolarHBondContact OE1-NE 3.4Å; E49-R145 IonicContact OE1-NH2 3.47Å; E49-R145 PolarHBondContact OE1-NH2 3.46Å; E49-R145 IonicContact OE2-NH2 3.9Å; E49-R145 PolarHBondContact OE2-NH2 3.49Å; S141-R145 WeakPolarHBondContact O-CB 3.43Å; S141-R145 WeakPolarHBondContact O-CG 3.41Å; S141-R145 PolarHBondContact O-N 2.79Å; F142-R145 PolarHBondContact O-N 2.87Å; R145-L148 PolarHBondContact O-N 3.31Å; R145-L149 WeakPolarHBondContact O-CB 3.47Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.38Å |
| 146 | K | 65.2 | Low | 62.1 | Low | 117 Ų | 117 | 135.9 Ų | 135.9 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -36.8 | 172.2 | -87 | -174.6 | 172.1 | 177.6 | 0 | 113.3 | F142 I143 R144 L149 K150 | F142-K146 HydrophobicContact CD1-CD 4.33Å; F142-K146 HydrophobicContact CE1-CD 3.92Å; F142-K146 VanDerWaalsContact CE1-CE 3.44Å; F142-K146 HydrophobicContact CZ-CD 4.27Å; F142-K146 VanDerWaalsContact CZ-CE 3.49Å; F142-K146 WeakPolarHBondContact O-CB 3.19Å; F142-K146 PolarHBondContact O-N 3.49Å; I143-K146 CarbonylContact O-C 2.89Å; I143-K146 PolarHBondContact O-N 3.24Å; R144-K146 PolarHBondContact O-N 3.32Å; K146-L149 PolarHBondContact O-N 2.85Å; K146-K150 WeakPolarHBondContact O-CG 3.27Å; K146-K150 PolarHBondContact O-N 3.27Å |
| 147 | Q | 64 | Low | 59.4 | Low | 114 Ų | 114 | 139.5 Ų | 139.5 | 53% | 0.533 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.5 | -39.5 | 175.6 | -75.3 | 173.8 | -9.4 | 0 | 0 | 111.8 | I143 R144 K150 R151 | I143-Q147 HydrophobicContact CG2-CG 4.45Å; I143-Q147 WeakPolarHBondContact O-CB 3.3Å; I143-Q147 WeakPolarHBondContact O-CG 3.38Å; I143-Q147 PolarHBondContact O-N 3.48Å; R144-Q147 PolarHBondContact O-N 2.98Å; R144-Q147 VanDerWaalsContact O-N 3.16Å; Q147-K150 PolarHBondContact O-N 3.09Å; Q147-R151 PolarHBondContact O-N 2.99Å |
| 148 | L | 60.9 | Low | 56.9 | Low | 105 Ų | 105 | 142.1 Ų | 142.1 | 55% | 0.55 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64 | -42.6 | 172.3 | -71.6 | 166.2 | 0 | 0 | 0 | 111.5 | R144 R145 K150 R151 R152 | R144-L148 WeakPolarHBondContact O-CG 3.26Å; R144-L148 PolarHBondContact O-N 2.85Å; R145-L148 PolarHBondContact O-N 3.31Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.18Å; L148-R151 PolarHBondContact O-N 2.87Å; L148-R152 PolarHBondContact O-N 3.29Å |
| 149 | L | 56.3 | Low | 54.4 | Low | 114 Ų | 114 | 144.9 Ų | 144.9 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.6 | -34.3 | 172.7 | -78.9 | 161.9 | 0 | 0 | 0 | 112.9 | R145 K146 | R145-L149 WeakPolarHBondContact O-CB 3.47Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.38Å; K146-L149 PolarHBondContact O-N 2.85Å |
| 150 | K | 54.3 | Low | 51.8 | Low | 165 Ų | 165 | 147.4 Ų | 147.4 | 72% | 0.717 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.4 | -40.6 | 169.7 | -79.4 | -172.7 | 174.9 | -172.3 | 0 | 112.1 | K146 Q147 L148 R152 R153 | K146-K150 WeakPolarHBondContact O-CG 3.27Å; K146-K150 PolarHBondContact O-N 3.27Å; Q147-K150 PolarHBondContact O-N 3.09Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.18Å; K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.13Å; K150-R153 WeakPolarHBondContact O-CB 3.11Å; K150-R153 PolarHBondContact O-N 2.88Å |
| 151 | R | 52 | Low | 49.5 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 76% | 0.758 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.6 | -34 | 174.7 | -75.7 | -176.6 | 174.2 | -174.6 | -2 | 112.4 | Q147 L148 R153 N154 | Q147-R151 PolarHBondContact O-N 2.99Å; L148-R151 PolarHBondContact O-N 2.87Å; R151-R153 PolarHBondContact O-N 3.29Å; R151-N154 PolarHBondContact O-N 2.84Å |
| 152 | R | 48.3 | Very low | 47.4 | Very low | 217 Ų | 217 | 152.1 Ų | 152.1 | 82% | 0.819 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -0 | 170.8 | -72.8 | -171.5 | 178.5 | -177 | 1.5 | 114.8 | L148 K150 | L148-R152 PolarHBondContact O-N 3.29Å; K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.13Å |
| 153 | R | 41.5 | Very low | 45.3 | Very low | 210 Ų | 210 | 155.7 Ų | 155.7 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 1.8 | 171.7 | -78 | -172.1 | 171.5 | -176.1 | -3.2 | 114.8 | K150 R151 P155 | K150-R153 WeakPolarHBondContact O-CB 3.11Å; K150-R153 PolarHBondContact O-N 2.88Å; R151-R153 PolarHBondContact O-N 3.29Å; R153-P155 WeakPolarHBondContact O-CD 3.44Å |
| 154 | N | 33.7 | Very low | 43.2 | Very low | 124 Ų | 124 | 155.5 Ų | 155.5 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -85.1 | 112.1 | 158.8 | -74.9 | -23.7 | 0 | 0 | 0 | 108.2 | R151 K156 | R151-N154 PolarHBondContact O-N 2.84Å; N154-K156 PolarHBondContact O-N 3.45Å |
| 155 | P | 33.5 | Very low | 41.5 | Very low | 119 Ų | 119 | 158.3 Ų | 158.3 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | | | trans | -76.7 | 70.2 | 178.3 | 33.6 | -35.8 | 0 | 0 | 0 | 110.3 | R153 Y157 | R153-P155 WeakPolarHBondContact O-CD 3.44Å; P155-Y157 PolarHBondContact O-N 3.26Å |
| 156 | K | 32.1 | Very low | 39.9 | Very low | 182 Ų | 182 | 157.7 Ų | 157.7 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | trans | -67.9 | 113.9 | 163.9 | -77.1 | -161.6 | 171.8 | -166.1 | 0 | 107.9 | N154 L158 | N154-K156 PolarHBondContact O-N 3.45Å; K156-L158 PolarHBondContact O-N 2.79Å |
| 157 | Y | 27.4 | Very low | 38.2 | Very low | 234 Ų | 234 | 160.9 Ų | 160.9 | 92% | 0.918 | 76% | 0.755 | S | S | * | * | | | trans | -42.2 | 119.1 | 175.3 | -64.3 | -98.5 | 0 | 0 | 0 | 111 | P155 | P155-Y157 PolarHBondContact O-N 3.26Š|
| 158 | L | 32.6 | Very low | 36.8 | Very low | 161 Ų | 161 | 160.8 Ų | 160.8 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -138.1 | 107.7 | 177.5 | -115.5 | 163.1 | 0 | 0 | 0 | 108 | K156 | K156-L158 PolarHBondContact O-N 2.79Š|
| 159 | Y | 26.8 | Very low | 35.2 | Very low | 225 Ų | 225 | 162 Ų | 162 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | trans | -59.4 | 144 | -178.8 | -109.7 | -114.7 | 0 | 0 | 0 | 111.4 | S161 | Y159-S161 PolarHBondContact O-N 3.23Š|
| 160 | C | 26.2 | Very low | 34.1 | Very low | 122 Ų | 122 | 162.3 Ų | 162.3 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -73.5 | 124.6 | 177.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 161 | S | 29.4 | Very low | 32.9 | Very low | 88 Ų | 88 | 161 Ų | 161 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | | | trans | -158.7 | 97.6 | 158 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | Y159 | Y159-S161 PolarHBondContact O-N 3.23Š|
| 162 | K | 32 | Very low | 32 | Very low | 217 Ų | 217 | 154.9 Ų | 154.9 | 94% | 0.943 | 76% | 0.755 | S | S | * | * | | | | -134.6 | 112 | 130 | -76.7 | -159.8 | 175.5 | -177.9 | 0 | 107.5 | | |
| 163 | Y | 29.5 | Very low | 30.8 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | | | trans | -86.4 | 158.7 | -168.6 | -75.6 | -99.6 | 0 | 0 | 0 | 112.8 | | |
| 164 | S | 30.2 | Very low | 30.5 | Very low | 87 Ų | 87 | 152.2 Ų | 152.2 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | trans | -88.8 | 135.4 | 138.2 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | S166 | S164-S166 PolarHBondContact O-N 2.86Š|
| 165 | K | 29.6 | Very low | 30.2 | Very low | 207 Ų | 207 | 156.2 Ų | 156.2 | 90% | 0.9 | 77% | 0.768 | S | S | * | * | | | trans | -82 | 112.1 | -165.2 | -64.1 | 176.7 | -179.4 | 176.8 | 0 | 112.9 | | |
| 166 | S | 33.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -166.1 | 141.6 | 143 | 64.4 | 0 | 0 | 0 | 0 | 109.1 | S164 | S164-S166 PolarHBondContact O-N 2.86Š|
| 167 | K | 29.5 | Very low | 30 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | cis | -119.6 | 157 | -5.3 | -60.1 | 174.2 | -178.5 | 179.1 | 0 | 108.7 | I169 | K167-I169 PolarHBondContact O-N 3.47Š|
| 168 | P | 34 | Very low | 30.1 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -62.1 | 130.4 | 159.6 | 28.7 | -32.8 | 0 | 0 | 0 | 108.8 | N170 | P168-N170 PolarHBondContact O-N 3.48Š|
| 169 | I | 27.5 | Very low | 30 | Very low | 131 Ų | 131 | 146 Ų | 146 | 67% | 0.672 | 75% | 0.749 | S | S | * | * | | | trans | -80.7 | 102.9 | 165.9 | -56.9 | 176 | 0 | 0 | 0 | 105.7 | K167 H171 | K167-I169 PolarHBondContact O-N 3.47Å; I169-H171 WeakPolarHBondContact CG2-NE2 3.41Å; I169-H171 PolarHBondContact O-N 3.35Å |
| 170 | N | 31.8 | Very low | 30 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | trans | -69.1 | 86.6 | 171.6 | -88.8 | 11.1 | 0 | 0 | 0 | 109.1 | P168 C172 | P168-N170 PolarHBondContact O-N 3.48Å; N170-C172 PolarHBondContact O-N 2.92Å |
| 171 | H | 29 | Very low | 30.1 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | | | trans | -69.3 | 75.1 | 160.8 | -71.2 | -80.7 | 0 | 0 | 0 | 108.7 | I169 Y173 | I169-H171 WeakPolarHBondContact CG2-NE2 3.41Å; I169-H171 PolarHBondContact O-N 3.35Å; H171-Y173 VanDerWaalsContact C-N 3.27Å; H171-Y173 PolarHBondContact O-N 3.2Å |
| 172 | C | 33.1 | Very low | 30.1 | Very low | 72 Ų | 72 | 151 Ų | 151 | 49% | 0.486 | 75% | 0.753 | S | S | . | * | | | trans | -67.6 | 90.8 | 169.1 | -69.4 | 0 | 0 | 0 | 0 | 108.8 | N170 I174 | N170-C172 PolarHBondContact O-N 2.92Å; C172-I174 VanDerWaalsContact C-N 3.35Å; C172-I174 HydrophobicContact CB-CG1 4.3Å; C172-I174 PolarHBondContact O-N 3Å |
| 173 | Y | 25 | Very low | 30 | Very low | 231 Ų | 231 | 145.9 Ų | 145.9 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | | | trans | -58.9 | 99.5 | 158.4 | -111.5 | -89.7 | 0 | 0 | 0 | 107.8 | H171 | H171-Y173 VanDerWaalsContact C-N 3.27Å; H171-Y173 PolarHBondContact O-N 3.2Å |
| 174 | I | 33.4 | Very low | 30.2 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | trans | -103.1 | 118.1 | 167.9 | -61.9 | 179.9 | 0 | 0 | 0 | 106.2 | C172 A176 | C172-I174 VanDerWaalsContact C-N 3.35Å; C172-I174 HydrophobicContact CB-CG1 4.3Å; C172-I174 PolarHBondContact O-N 3Å; I174-A176 PolarHBondContact O-N 2.72Å |
| 175 | K | 28.7 | Very low | 30.5 | Very low | 208 Ų | 208 | 143.7 Ų | 143.7 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | | | trans | -62 | 99.2 | 172.4 | -93.2 | -173.8 | 170.5 | -176.6 | 0 | 108.7 | N177 | K175-N177 PolarHBondContact O-N 2.84Å; K175-N177 VanDerWaalsContact O-N 3.16Å |
| 176 | A | 30.2 | Very low | 30.9 | Very low | 66 Ų | 66 | 142.9 Ų | 142.9 | 55% | 0.545 | 76% | 0.757 | S | S | . | * | | | trans | -86.6 | 77.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I174 | I174-A176 PolarHBondContact O-N 2.72Š|
| 177 | N | 30.9 | Very low | 31 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -80.7 | 124.3 | 138.9 | -78 | 16.1 | 0 | 0 | 0 | 105.5 | K175 | K175-N177 PolarHBondContact O-N 2.84Å; K175-N177 VanDerWaalsContact O-N 3.16Å |
| 178 | N | 30 | Very low | 31.3 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 67.8 | 77 | -175.3 | -58.2 | -5.4 | 0 | 0 | 0 | 116 | | |
| 179 | S | 30.4 | Very low | 31.3 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | 62.7 | 114.3 | 150.2 | 65.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 180 | C | 26.2 | Very low | 31.6 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | | -174.4 | 156.1 | 99.2 | -93.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 181 | Y | 28.1 | Very low | 31.4 | Very low | 232 Ų | 232 | 139.7 Ų | 139.7 | 91% | 0.91 | 73% | 0.731 | S | S | * | * | | | trans | -75.7 | 151.4 | -178.2 | -79.9 | -106.6 | 0 | 0 | 0 | 113.1 | | |
| 182 | W | 29.9 | Very low | 31.4 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 75% | 0.75 | 72% | 0.718 | S | S | * | * | | | trans | -90.8 | 136.3 | 163.1 | -88 | 50.5 | 0 | 0 | 0 | 111.1 | | |
| 183 | S | 30.2 | Very low | 31 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | -151.4 | 145.8 | 161.6 | -85 | 0 | 0 | 0 | 0 | 111 | A185 | S183-A185 PolarHBondContact O-N 3.37Š|
| 184 | P | 34 | Very low | 31.1 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | | | trans | -84.8 | 107.6 | -164.4 | -8.7 | 27.9 | 0 | 0 | 0 | 112.1 | K186 | P184-K186 PolarHBondContact O-N 3.5Š|
| 185 | A | 35.7 | Very low | 30.8 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | | | trans | -69.5 | 112.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S183 | S183-A185 PolarHBondContact O-N 3.37Š|
| 186 | K | 37.1 | Very low | 30.7 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 83% | 0.83 | 73% | 0.734 | S | S | * | * | | | trans | -78.1 | 136.1 | 164.5 | -68.6 | -178.6 | 179.5 | 177.5 | 0 | 109.6 | P184 K188 | P184-K186 PolarHBondContact O-N 3.5Å; K186-K188 PolarHBondContact O-N 2.91Å |
| 187 | P | 37 | Very low | 30.6 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -67.2 | 132.3 | 171.6 | 28.8 | -33.3 | 0 | 0 | 0 | 110.2 | | |
| 188 | K | 35.7 | Very low | 30.4 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 54% | 0.543 | 73% | 0.729 | S | S | . | * | | | trans | -110.5 | 98.7 | 175.6 | -73.3 | -166.2 | -65.5 | -178.4 | 0 | 110.8 | K186 I703 | K186-K188 PolarHBondContact O-N 2.91Å; K188-I703 HydrophobicContact CD-CG2 4.41Å |
| 189 | H | 32.9 | Very low | 30.5 | Very low | 173 Ų | 173 | 136 Ų | 136 | 80% | 0.801 | 72% | 0.718 | S | S | * | * | | | trans | -82.9 | 147.8 | 160 | -95.7 | -73.8 | 0 | 0 | 0 | 110.1 | P704 | H189-P704 WeakPolarHBondContact O-CB 3.38Å; H189-P704 WeakPolarHBondContact O-CG 3.23Å |
| 190 | S | 34.3 | Very low | 30.5 | Very low | 15 Ų | 15 | 137.9 Ų | 137.9 | 11% | 0.105 | 72% | 0.715 | C | S | . | * | | | trans | -153.7 | 159.2 | 153.5 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | Q702 I703 | S190-Q702 PolarHBondContact O-NE2 2.93Å; S190-Q702 PolarHBondContact O-OE1 2.9Å; S190-Q702 WeakPolarHBondContact OG-CB 3.29Å; S190-Q702 WeakPolarHBondContact OG-CG 3.41Å; S190-Q702 PolarHBondContact OG-OE1 2.88Å; S190-I703 WeakPolarHBondContact CB-O 3.3Å; S190-I703 VanDerWaalsContact OG-C 3.23Å; S190-I703 PolarHBondContact OG-N 2.91Å; S190-I703 PolarHBondContact OG-O 3.43Å |
| 191 | N | 26.8 | Very low | 30.9 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | | | trans | -139.9 | 97.2 | 137.1 | -81.1 | -32.4 | 0 | 0 | 0 | 106.1 | Q702 | N191-Q702 PolarHBondContact OD1-NE2 3.49Š|
| 192 | S | 30.3 | Very low | 30.9 | Very low | 54 Ų | 54 | 133 Ų | 133 | 38% | 0.378 | 71% | 0.706 | S | S | . | * | | | trans | -162.9 | 135.9 | 164 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 193 | F | 24.7 | Very low | 31 | Very low | 223 Ų | 223 | 133.2 Ų | 133.2 | 98% | 0.978 | 71% | 0.713 | S | S | * | * | | | trans | -57.9 | 146.4 | -172 | -78.2 | -106.6 | 0 | 0 | 0 | 113.3 | | |
| 194 | S | 26.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | | | trans | -148.2 | -179 | 168.6 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 195 | V | 27.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | | | trans | 94.8 | 89 | 178.7 | -171.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 196 | W | 25.6 | Very low | 30.6 | Very low | 249 Ų | 249 | 140.7 Ų | 140.7 | 94% | 0.943 | 70% | 0.7 | S | S | * | * | | | | -109.9 | 151.9 | 109.4 | -81.2 | 21.5 | 0 | 0 | 0 | 106.3 | | |
| 197 | S | 28.9 | Very low | 30.2 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 57% | 0.566 | 70% | 0.699 | S | S | * | * | | | cis | -161.4 | 157 | -10.1 | 45.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 198 | E | 27.4 | Very low | 29.9 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | | | trans | 72.5 | 131.7 | 142.6 | -81.8 | -174.5 | 111.7 | 0 | 0 | 126.1 | | |
| 199 | N | 31.5 | Very low | 29.8 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | | | trans | 75.1 | 140.2 | 133.4 | -65.3 | -18.6 | 0 | 0 | 0 | 121.6 | | |
| 200 | Q | 31.5 | Very low | 29.6 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | | | cis | -168.1 | 161.1 | -16.1 | -130.3 | 176.5 | 64.9 | 0 | 0 | 112.4 | L202 | Q200-L202 HydrophobicContact CG-CD1 4.16Š|
| 201 | S | 32.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | | | trans | -172.9 | 154.2 | 132.8 | 44.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 202 | L | 28.3 | Very low | 29.3 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 61% | 0.613 | 73% | 0.731 | S | S | * | * | | | trans | -121.8 | 153.6 | -168.4 | -70.6 | 83.7 | 0 | 0 | 0 | 113.5 | Q200 | Q200-L202 HydrophobicContact CG-CD1 4.16Š|
| 203 | K | 33.4 | Very low | 29.1 | Very low | 204 Ų | 204 | 151.4 Ų | 151.4 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | | | | -160.5 | 161.4 | 121.3 | -107.3 | 163.9 | -175 | 178.8 | 0 | 113.1 | | |
| 204 | Y | 27.9 | Very low | 29.3 | Very low | 189 Ų | 189 | 148.1 Ų | 148.1 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | -69.4 | 166.2 | -166.3 | -74.4 | -114 | 0 | 0 | 0 | 113.3 | | |
| 205 | H | 31.7 | Very low | 29.4 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | | | cis | -148.9 | 151.1 | 37.6 | -123.1 | -94.4 | 0 | 0 | 0 | 115.9 | | |
| 206 | Q | 30.2 | Very low | 29.5 | Very low | 157 Ų | 157 | 147 Ų | 147 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | trans | 2.5 | 127.6 | 160.4 | -64 | 166.4 | -20.9 | 0 | 0 | 121.1 | | |
| 207 | N | 29.8 | Very low | 29.8 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | | | | -157.6 | 171.5 | 96.5 | -134.9 | -42.6 | 0 | 0 | 0 | 113.5 | | |
| 208 | K | 31.2 | Very low | 29.9 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | | | trans | -77.6 | 131.9 | -163.8 | -59.9 | 166.8 | -176.7 | 171.8 | 0 | 114.3 | | |
| 209 | H | 33.2 | Very low | 30 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | | -176.4 | 125.7 | 107.5 | -109.8 | -98.2 | 0 | 0 | 0 | 113.7 | | |
| 210 | R | 27.7 | Very low | 29.9 | Very low | 214 Ų | 214 | 145.6 Ų | 145.6 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | 36.1 | 133.4 | 134 | -86.9 | -165.1 | 164.1 | 174.4 | -3.7 | 120.3 | | |
| 211 | I | 28.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | cis | -155.7 | 153.9 | -3.3 | -14 | 171.8 | 0 | 0 | 0 | 104.8 | | |
| 212 | S | 27.5 | Very low | 29.7 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | | | cis | -153 | 155.1 | 22.3 | -56.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 213 | S | 27 | Very low | 29.9 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | 48.8 | 100 | 146.6 | 58.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 214 | T | 27.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 95% | 0.951 | 76% | 0.755 | S | S | * | * | | | trans | -125.7 | 175.1 | 136.3 | 52 | 0 | 0 | 0 | 0 | 109.1 | | |
| 215 | S | 29.1 | Very low | 30 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | -114.2 | 169.8 | -152.4 | 58.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 216 | S | 30.3 | Very low | 30.1 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | trans | 73.2 | 127.9 | 140.1 | 48.8 | 0 | 0 | 0 | 0 | 122.3 | | |
| 217 | L | 31.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | 75.2 | 98.3 | 143.5 | -88.2 | 74.8 | 0 | 0 | 0 | 121.2 | | |
| 218 | N | 30.3 | Very low | 30.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | | | | 105.7 | 135.1 | 106.5 | -82.8 | 4.3 | 0 | 0 | 0 | 122 | | |
| 219 | Q | 30.1 | Very low | 30.6 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | 62.8 | 125.7 | 161.8 | -62.1 | 168.3 | 15.3 | 0 | 0 | 116.3 | | |
| 220 | S | 27.7 | Very low | 30.4 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | cis | -155.4 | 153.7 | -13.4 | 53.3 | 0 | 0 | 0 | 0 | 106.3 | | |
| 221 | S | 30.2 | Very low | 30.6 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | | -171.9 | 168.8 | 55.6 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 222 | S | 31.8 | Very low | 30.5 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | 46.8 | 107 | 152.6 | 59.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 223 | M | 30.9 | Very low | 30.7 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | | 81.5 | 120.2 | 122.9 | -73.4 | -173.7 | 154.7 | 0 | 0 | 123.6 | | |
| 224 | V | 31.8 | Very low | 30.7 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | | | | 87.4 | 106.8 | 123.8 | 175.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 225 | N | 32.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | 77 | 135 | 140.4 | -66 | 0.4 | 0 | 0 | 0 | 125.2 | | |
| 226 | S | 33.8 | Very low | 31 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | trans | 61.9 | 126.8 | 149.1 | 46.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 227 | I | 29.3 | Very low | 31 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | | | cis | 86 | 134.5 | 48.5 | -67.7 | 174.1 | 0 | 0 | 0 | 111.9 | | |
| 228 | P | 38 | Very low | 30.8 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | | -129.2 | -151.6 | -125.2 | 46.1 | -33.9 | 0 | 0 | 0 | 116 | | |
| 229 | Q | 33.7 | Very low | 30.8 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | 100.1 | 159.3 | 173 | -56.2 | -179.6 | 28.4 | 0 | 0 | 116.1 | | |
| 230 | S | 29.3 | Very low | 30.8 | Very low | 89 Ų | 89 | 145.7 Ų | 145.7 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | cis | -165.8 | 162.2 | -43.5 | 74.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 231 | R | 31.2 | Very low | 30.9 | Very low | 240 Ų | 240 | 146.3 Ų | 146.3 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | | | trans | 78.6 | 145.5 | 155 | -67 | 178.9 | -174.8 | -166.7 | 2.4 | 122.9 | | |
| 232 | F | 26.1 | Very low | 31.2 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | | | trans | -81.6 | 160.1 | -171.3 | -76 | -112.8 | 0 | 0 | 0 | 116.6 | | |
| 233 | Y | 32.1 | Very low | 31.3 | Very low | 223 Ų | 223 | 149.1 Ų | 149.1 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | | | trans | -149 | 178.2 | 145.1 | -144.9 | -100.8 | 0 | 0 | 0 | 111.9 | | |
| 234 | Q | 28.1 | Very low | 31.3 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -161.4 | 174.3 | -174.3 | -153.7 | -127.5 | 92.2 | 0 | 0 | 115.3 | | |
| 235 | S | 28.4 | Very low | 31.3 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | trans | 82.4 | 147.5 | 165.6 | 84.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 236 | K | 32.6 | Very low | 31.3 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | cis | -164.9 | 152.8 | -7.5 | -121.3 | 174.4 | -174.5 | 175.1 | 0 | 113 | | |
| 237 | N | 31 | Very low | 30.9 | Very low | 120 Ų | 120 | 152 Ų | 152 | 64% | 0.642 | 76% | 0.757 | S | S | * | * | | | trans | 72.4 | 111.8 | 144.8 | -72.6 | 5.1 | 0 | 0 | 0 | 125 | | |
| 238 | Y | 28.2 | Very low | 31.2 | Very low | 204 Ų | 204 | 149 Ų | 149 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | trans | 64.4 | 154.7 | 137.1 | -67.4 | -72.4 | 0 | 0 | 0 | 120.5 | | |
| 239 | S | 29.5 | Very low | 30.8 | Very low | 89 Ų | 89 | 153.6 Ų | 153.6 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | | | cis | -163.9 | 162.9 | 18.1 | -135.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 240 | K | 31 | Very low | 30.4 | Very low | 170 Ų | 170 | 152 Ų | 152 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | | | trans | 67.3 | 161.7 | 151.1 | -67.2 | -175.4 | 161.5 | -82.1 | 0 | 120.4 | | |
| 241 | D | 30.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 65% | 0.647 | 76% | 0.762 | S | S | * | * | | | cis | -167.2 | 158.4 | -26.9 | -98.4 | -9.2 | 0 | 0 | 0 | 110.2 | | |
| 242 | S | 35.8 | Very low | 30.2 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | 170.1 | 145.9 | 149.1 | 32.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 243 | N | 33.7 | Very low | 30.3 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | cis | -145 | 153.9 | -6.4 | -95.9 | -19.3 | 0 | 0 | 0 | 109.5 | | |
| 244 | C | 30.5 | Very low | 30.2 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | | | cis | -123.7 | -105.8 | -0 | -165.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 245 | I | 32.1 | Very low | 30.3 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | cis | -155.6 | 177.5 | -0.6 | -157.1 | 158.2 | 0 | 0 | 0 | 110.5 | | |
| 246 | H | 32.3 | Very low | 30.5 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | | | trans | -72 | 131.9 | -164.6 | -83.6 | -112.7 | 0 | 0 | 0 | 117.5 | | |
| 247 | H | 25.6 | Very low | 30.6 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | | | trans | -77.8 | -164.9 | 161.2 | -50.4 | -95.3 | 0 | 0 | 0 | 111.5 | | |
| 248 | P | 36.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | cis | -140.3 | -177.4 | -9.6 | 22.8 | 4 | 0 | 0 | 0 | 117.3 | | |
| 249 | Y | 28.1 | Very low | 31.1 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | | | trans | 91.3 | 121.6 | 144.7 | -86.2 | -60.3 | 0 | 0 | 0 | 124.6 | | |
| 250 | N | 26.4 | Very low | 31.3 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | trans | 98.5 | 147.1 | 130.1 | -96.1 | -7.7 | 0 | 0 | 0 | 124.1 | | |
| 251 | S | 28.4 | Very low | 31.5 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | | | trans | 77.2 | 168.5 | 169.9 | -144.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 252 | S | 28.1 | Very low | 31.7 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | trans | -123.8 | 162.1 | -158.6 | 53.4 | 0 | 0 | 0 | 0 | 115 | | |
| 253 | N | 27.9 | Very low | 31.5 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | trans | 73.5 | 134.5 | 169 | -62.2 | -12.9 | 0 | 0 | 0 | 119.1 | | |
| 254 | N | 30.8 | Very low | 31.3 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | 75.2 | 117 | 157.8 | -71.4 | -7.7 | 0 | 0 | 0 | 121.9 | | |
| 255 | V | 29.4 | Very low | 31.3 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | | | | 93 | 96.2 | 122.9 | 172 | 0 | 0 | 0 | 0 | 120.8 | | |
| 256 | I | 31.5 | Very low | 31.2 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | | 88.1 | 130.5 | 126.7 | -69.5 | -176.2 | 0 | 0 | 0 | 122.6 | | |
| 257 | N | 34.6 | Very low | 31.1 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | 66.1 | 123.4 | 165.7 | -66.2 | -19.5 | 0 | 0 | 0 | 118.5 | | |
| 258 | N | 32.1 | Very low | 31.3 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | cis | -154 | -146.9 | 1.2 | -163 | -2.9 | 0 | 0 | 0 | 113 | | |
| 259 | S | 37.7 | Very low | 30.9 | Very low | 87 Ų | 87 | 145 Ų | 145 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | | | trans | -167.7 | 171.4 | -155.2 | 69.5 | 0 | 0 | 0 | 0 | 112 | | |
| 260 | N | 34.4 | Very low | 31.2 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | cis | -167.8 | 172.9 | -11.6 | -120.1 | -9.5 | 0 | 0 | 0 | 112.9 | | |
| 261 | D | 36.4 | Very low | 31.5 | Very low | 110 Ų | 110 | 142 Ų | 142 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | | | trans | 65.4 | -179.3 | 153.3 | -81.5 | 62.9 | 0 | 0 | 0 | 120.9 | | |
| 262 | R | 33.6 | Very low | 31.7 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | | | | -174.5 | 172.1 | -66.5 | -118.3 | -179 | -65.9 | -112.9 | -3.9 | 109.6 | | |
| 263 | N | 31.5 | Very low | 31.9 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | | | cis | -156.9 | -172.5 | -5.3 | -159.2 | 3 | 0 | 0 | 0 | 111.1 | | |
| 264 | F | 29.2 | Very low | 31.9 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 79% | 0.789 | 72% | 0.722 | S | S | * | * | | | trans | -132.2 | 164 | -171.1 | -64.9 | -72.8 | 0 | 0 | 0 | 113.7 | | |
| 265 | I | 30.7 | Very low | 31.8 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 82% | 0.821 | 72% | 0.718 | S | S | * | * | | | cis | -153.9 | -108.2 | -17.4 | -174.9 | 161.8 | 0 | 0 | 0 | 113.4 | | |
| 266 | K | 29.4 | Very low | 31.9 | Very low | 148 Ų | 148 | 145 Ų | 145 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | | | trans | -165.3 | 158.9 | -162.6 | -159.3 | -179.2 | -178.6 | -163.1 | 0 | 112.9 | | |
| 267 | Y | 30.7 | Very low | 31.9 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | | | trans | 92.2 | -162.5 | 161.4 | -68.2 | -57.1 | 0 | 0 | 0 | 123.5 | | |
| 268 | N | 29.4 | Very low | 31.6 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | | | | -143.8 | 146.6 | -120.4 | -101.6 | -8.4 | 0 | 0 | 0 | 120.3 | | |
| 269 | Y | 29.5 | Very low | 31.4 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 75% | 0.745 | 74% | 0.738 | S | S | * | * | | | trans | 69.3 | 142.2 | 140.5 | -94.5 | -85.7 | 0 | 0 | 0 | 128.7 | | |
| 270 | H | 33.3 | Very low | 31 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | trans | 65.5 | 153.4 | 157.6 | -74.2 | -60.5 | 0 | 0 | 0 | 121.2 | | |
| 271 | Q | 32.4 | Very low | 30.9 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 64% | 0.64 | 75% | 0.754 | S | S | * | * | | | cis | -170.2 | 157.3 | -25.5 | -166.9 | 176.4 | -33.1 | 0 | 0 | 111.3 | | |
| 272 | H | 33.4 | Very low | 30.6 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | 66.6 | 151.8 | 178.7 | -64.4 | -93.3 | 0 | 0 | 0 | 116.5 | | |
| 273 | G | 31.3 | Very low | 30.5 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | cis | 170.7 | 144.8 | -11.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 274 | E | 29.4 | Very low | 30.4 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | 66.8 | 152.9 | 171.6 | -74.3 | 171.3 | -147.3 | 0 | 0 | 118 | | |
| 275 | I | 28.2 | Very low | 30.2 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | cis | -151.9 | 169.5 | 11.2 | -131.5 | 158.5 | 0 | 0 | 0 | 112.5 | | |
| 276 | C | 31.4 | Very low | 30.1 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | trans | 75.9 | 139.7 | 161.7 | -96.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 277 | G | 31.2 | Very low | 30.1 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | | | trans | 115.8 | 103.5 | 140 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 278 | T | 27.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 95% | 0.951 | 76% | 0.764 | S | S | * | * | | | trans | -107.6 | 141.5 | 168.9 | 45.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 279 | G | 29.2 | Very low | 29.9 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | | | trans | -172.4 | 129.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 280 | N | 28.1 | Very low | 29.8 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | trans | -98.8 | 153.1 | -170.2 | -64.2 | -38.8 | 0 | 0 | 0 | 113 | | |
| 281 | H | 32 | Very low | 29.7 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -154.3 | 107.2 | 145.1 | -126.1 | -91.6 | 0 | 0 | 0 | 112.6 | | |
| 282 | M | 31.5 | Very low | 29.4 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | trans | 52.6 | 145.4 | 153.9 | -51.6 | -53.9 | -164.3 | 0 | 0 | 120.3 | | |
| 283 | N | 30.1 | Very low | 29.2 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | cis | -149.6 | 166 | 10.4 | -146.4 | -2 | 0 | 0 | 0 | 113.5 | | |
| 284 | T | 30.5 | Very low | 29.2 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -59.4 | 163 | 159.9 | 51.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 285 | G | 25 | Very low | 29.3 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | cis | 144.4 | -179.6 | 14.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 286 | Y | 28.5 | Very low | 29.5 | Very low | 222 Ų | 222 | 138 Ų | 138 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | | | trans | 69.9 | 107.7 | 174.7 | -87.6 | -105 | 0 | 0 | 0 | 120.2 | | |
| 287 | L | 28.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | | 74.1 | 128.1 | 110.8 | -156 | 70.5 | 0 | 0 | 0 | 122.4 | | |
| 288 | E | 27.7 | Very low | 29.3 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | trans | 65 | 155.6 | 156.3 | -80.7 | 159.7 | -169.2 | 0 | 0 | 119.5 | | |
| 289 | H | 29.6 | Very low | 29.4 | Very low | 152 Ų | 152 | 140 Ų | 140 | 70% | 0.704 | 74% | 0.74 | S | S | * | * | | | cis | -146.5 | 136.6 | 9 | -138.7 | -44.9 | 0 | 0 | 0 | 113.5 | | |
| 290 | C | 25.8 | Very low | 29.2 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | | | trans | 11.9 | 128.8 | 158.6 | -61.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 291 | K | 31.6 | Very low | 28.9 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | | | | -176.2 | 122.6 | 104.4 | -100.7 | 163.2 | -174.8 | 168.5 | 0 | 117.3 | | |
| 292 | R | 27.6 | Very low | 28.7 | Very low | 219 Ų | 219 | 145 Ų | 145 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | | | trans | 63.7 | 123.1 | 133.6 | -77.2 | -174.7 | 176.7 | -173.8 | -0.3 | 124 | | |
| 293 | I | 29.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | | | | 101.8 | 98.1 | 128.7 | -70.5 | 169.7 | 0 | 0 | 0 | 120.2 | | |
| 294 | N | 30.4 | Very low | 28.6 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | | | trans | 80 | 117.5 | 130.3 | -65 | 14.2 | 0 | 0 | 0 | 124.6 | | |
| 295 | N | 31.2 | Very low | 28.5 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | | 84.5 | 123 | 129.9 | -62.5 | 4.4 | 0 | 0 | 0 | 119.9 | | |
| 296 | T | 32 | Very low | 28.8 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 64% | 0.644 | 74% | 0.743 | S | S | * | * | | | cis | 95.1 | 145.3 | 28.7 | 70.1 | 0 | 0 | 0 | 0 | 114 | | |
| 297 | K | 30.9 | Very low | 28.6 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | cis | -173.1 | 165.1 | -5.5 | -116.4 | 176.5 | 179.6 | -179.9 | 0 | 111.8 | | |
| 298 | S | 28.4 | Very low | 28.8 | Very low | 100 Ų | 100 | 149.1 Ų | 149.1 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | trans | 70.7 | 171.3 | 137.5 | -74.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 299 | T | 29.2 | Very low | 28.9 | Very low | 124 Ų | 124 | 148 Ų | 148 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | cis | -178 | 176.8 | -38 | -81.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 300 | M | 24.9 | Very low | 28.8 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -62.6 | 158.1 | -178.4 | -49 | 175 | -171.6 | 0 | 0 | 118.4 | | |
| 301 | M | 23.6 | Very low | 28.9 | Very low | 141 Ų | 141 | 152.8 Ų | 152.8 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | trans | 47.2 | 147 | 138.2 | -69.2 | -168.6 | 87.4 | 0 | 0 | 125.1 | | |
| 302 | Y | 26.3 | Very low | 28.7 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | 74.9 | 157.6 | 155.9 | -76.2 | -46.9 | 0 | 0 | 0 | 119.2 | | |
| 303 | P | 36.4 | Very low | 28.7 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | | | trans | -136.7 | -170.1 | -143.9 | 35.5 | -11.3 | 0 | 0 | 0 | 116.4 | | |
| 304 | I | 24.3 | Very low | 29 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | 87.3 | 138.8 | 164.6 | -53 | 174.1 | 0 | 0 | 0 | 116.8 | | |
| 305 | S | 27.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | 75.9 | 128.8 | 175.6 | -126.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 306 | Q | 31.2 | Very low | 28.7 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | cis | -135.3 | -176.3 | 22 | -69.3 | 178.3 | -5.7 | 0 | 0 | 114.1 | | |
| 307 | R | 25.3 | Very low | 28.6 | Very low | 240 Ų | 240 | 147.5 Ų | 147.5 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | -87.9 | 176.5 | -176.6 | -77.2 | 174.4 | 171.2 | 170.1 | -4.5 | 113 | | |
| 308 | P | 32.9 | Very low | 28.6 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | cis | -138.3 | -167.2 | -37.3 | 38.9 | -20.7 | 0 | 0 | 0 | 113.8 | | |
| 309 | S | 28.2 | Very low | 28.8 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | trans | 91.8 | 179.7 | 162.9 | 83.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 310 | K | 29 | Very low | 29.2 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -108.5 | 149.1 | -141.5 | -60.1 | 178.6 | 178.9 | 178.1 | 0 | 116 | | |
| 311 | Q | 26.7 | Very low | 29.9 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | 61.9 | 151.2 | 153.6 | -71.4 | 160.6 | -72.5 | 0 | 0 | 117.2 | | |
| 312 | S | 28.1 | Very low | 30.4 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | cis | -159.6 | 170.5 | -16.5 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 313 | N | 26.5 | Very low | 30.6 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -17.4 | 163.7 | 167.9 | -63.7 | -13.6 | 0 | 0 | 0 | 120.7 | | |
| 314 | P | 36.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | cis | -145.5 | -177.2 | -35.1 | 41.1 | -23 | 0 | 0 | 0 | 115.6 | | |
| 315 | L | 26.3 | Very low | 30.8 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | | | trans | 78.7 | 138.2 | 147.3 | -94.3 | 160.8 | 0 | 0 | 0 | 123.8 | | |
| 316 | A | 28.6 | Very low | 31.1 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | | | trans | 100.7 | 173.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 317 | I | 29.9 | Very low | 31.2 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 87% | 0.867 | 69% | 0.688 | S | S | * | * | | | trans | 89.9 | 126.5 | -175.6 | -55.2 | 167.5 | 0 | 0 | 0 | 114.1 | | |
| 318 | G | 30.9 | Very low | 31.5 | Very low | 64 Ų | 64 | 122.3 Ų | 122.3 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | | | cis | -175.4 | -179.5 | -1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 319 | N | 32.8 | Very low | 31.6 | Very low | 140 Ų | 140 | 121 Ų | 121 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | | | cis | -146.1 | -171.4 | 3.5 | -65.1 | -64.9 | 0 | 0 | 0 | 107.1 | | |
| 320 | Q | 38 | Very low | 31.8 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 51% | 0.514 | 65% | 0.647 | S | S | . | * | | | cis | 68.3 | 153.1 | 23.2 | -76.4 | -61.4 | -2.2 | 0 | 0 | 114.8 | L743 D744 | Q320-L743 VanDerWaalsContact OE1-CD1 3.25Å; Q320-D744 WeakPolarHBondContact CG-OD1 3.3Å; Q320-D744 PolarHBondContact NE2-OD1 3.28Å; Q320-D744 PolarHBondContact OE1-OD1 3.2Å; Q320-D744 VanDerWaalsContact OE1-OD1 3.07Å |
| 321 | P | 39.7 | Very low | 31.9 | Very low | 70 Ų | 70 | 113.3 Ų | 113.3 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | | | cis | -158.4 | -178.9 | 46.7 | 45.5 | -23.4 | 0 | 0 | 0 | 122.5 | L743 D744 | P321-L743 VanDerWaalsContact C-CD2 3.43Å; P321-L743 WeakPolarHBondContact O-CD2 3.38Å; P321-D744 WeakPolarHBondContact CA-OD2 3.36Å; P321-D744 WeakPolarHBondContact CB-OD2 3.46Å |
| 322 | I | 33.3 | Very low | 32.2 | Very low | 112 Ų | 112 | 110.5 Ų | 110.5 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | | | trans | 115.1 | 73.2 | 151.2 | -67.4 | 159.4 | 0 | 0 | 0 | 121.9 | D744 | I322-D744 PolarHBondContact N-OD2 3.28Š|
| 323 | F | 31.3 | Very low | 32.5 | Very low | 80 Ų | 80 | 111.8 Ų | 111.8 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | | | trans | 54 | 137.3 | 140.2 | -58.9 | -76.8 | 0 | 0 | 0 | 122.6 | E742 L743 D744 R745 | F323-E742 CarbonylContact C-O 3.22Å; F323-E742 CarbonylContact O-C 3.59Å; F323-E742 VanDerWaalsContact O-O 3.08Å; F323-L743 PolarHBondContact O-N 2.91Å; F323-D744 WeakPolarHBondContact CA-O 3.47Å; F323-D744 HydrophobicContact CD1-CB 3.76Å; F323-D744 WeakPolarHBondContact CD1-O 3.24Å; F323-D744 HydrophobicContact CD2-CB 4.24Å; F323-D744 HydrophobicContact CE1-CB 3.84Å; F323-D744 HydrophobicContact CE2-CB 4.27Å; F323-D744 HydrophobicContact CG-CB 3.98Å; F323-D744 HydrophobicContact CZ-CB 4.08Å; F323-D744 VanDerWaalsContact N-N 3.16Å; F323-R745 HydrophobicContact CE1-CB 3.73Å; F323-R745 HydrophobicContact CZ-CB 4.1Å |
| 324 | F | 32.7 | Very low | 32.6 | Very low | 146 Ų | 146 | 112 Ų | 112 | 64% | 0.64 | 61% | 0.608 | S | S | * | * | | | cis | -136.2 | 163 | 14.3 | -96.7 | -48.6 | 0 | 0 | 0 | 114.6 | E742 L743 D744 | F324-E742 PolarHBondContact N-O 3.43Å; F324-L743 CarbonylContact C-O 3.4Å; F324-L743 VanDerWaalsContact CA-O 3.3Å; F324-L743 WeakPolarHBondContact CA-O 3.31Å; F324-L743 PolarHBondContact O-N 3.06Å; F324-D744 VanDerWaalsContact CA-O 3.28Å; F324-D744 WeakPolarHBondContact CA-O 3.36Å |
| 325 | N | 31.5 | Very low | 32.5 | Very low | 58 Ų | 58 | 114.2 Ų | 114.2 | 31% | 0.31 | 61% | 0.612 | S | S | . | * | | | cis | -136 | -72.7 | -7.7 | 179.9 | -87.5 | 0 | 0 | 0 | 115.6 | Q327 L743 D744 R745 | N325-Q327 WeakPolarHBondContact OD1-CG 3.23Å; N325-Q327 PolarHBondContact OD1-N 3.24Å; N325-L743 PolarHBondContact N-O 2.66Å; N325-D744 VanDerWaalsContact CA-O 3.27Å; N325-D744 WeakPolarHBondContact CA-O 3.3Å; N325-D744 CarbonylContact O-C 3.28Å; N325-D744 VanDerWaalsContact O-C 3.22Å; N325-R745 PolarHBondContact O-N 2.79Å |
| 326 | S | 33.2 | Very low | 32.9 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | | | cis | -138.4 | 25.8 | -7.2 | -61.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 327 | Q | 33.9 | Very low | 33 | Very low | 133 Ų | 133 | 114.7 Ų | 114.7 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | | | trans | 75.8 | 125.1 | 160.9 | -53 | -161.7 | 19.7 | 0 | 0 | 124.3 | N325 | N325-Q327 WeakPolarHBondContact OD1-CG 3.23Å; N325-Q327 PolarHBondContact OD1-N 3.24Å |
| 328 | K | 31.7 | Very low | 33 | Very low | 167 Ų | 167 | 111 Ų | 111 | 73% | 0.726 | 60% | 0.597 | S | S | * | * | | | trans | 73.2 | 145.5 | 139 | -72.2 | 170.2 | 178.5 | 158.5 | 0 | 120 | | |
| 329 | I | 34.1 | Very low | 33 | Very low | 86 Ų | 86 | 116.7 Ų | 116.7 | 44% | 0.441 | 61% | 0.606 | S | S | . | * | | | cis | -174 | 117.9 | -5.4 | 177.5 | 170.9 | 0 | 0 | 0 | 113.8 | P749 R750 | I329-P749 WeakPolarHBondContact CD1-O 3.1Å; I329-P749 HydrophobicContact CG1-CB 3.82Å; I329-R750 HydrophobicContact CD1-CB 4.25Å; I329-R750 HydrophobicContact CD1-CG 4.45Å; I329-R750 HydrophobicContact CG1-CB 4.19Å |
| 330 | T | 34.4 | Very low | 32.8 | Very low | 79 Ų | 79 | 116.1 Ų | 116.1 | 49% | 0.485 | 61% | 0.608 | S | S | . | * | | | trans | -168.1 | 136.5 | 164.3 | -19.1 | 0 | 0 | 0 | 0 | 116.9 | K748 P749 | T330-K748 WeakPolarHBondContact O-CE 3.3Å; T330-K748 PolarHBondContact O-NZ 3.15Å; T330-P749 VanDerWaalsContact C-CB 3.47Å; T330-P749 VanDerWaalsContact O-CG 3.24Å; T330-P749 WeakPolarHBondContact O-CG 3.41Å |
| 331 | N | 29 | Very low | 32.8 | Very low | 63 Ų | 63 | 116.2 Ų | 116.2 | 34% | 0.337 | 62% | 0.618 | S | S | . | * | | | trans | -152.8 | 179.7 | 170 | -102.3 | 11.3 | 0 | 0 | 0 | 111.6 | K748 P749 | N331-K748 WeakPolarHBondContact OD1-CD 3.34Å; N331-K748 PolarHBondContact OD1-NZ 3.18Å; N331-P749 HydrophobicContact CB-CB 3.9Å; N331-P749 HydrophobicContact CB-CG 3.28Å; N331-P749 VanDerWaalsContact CG-CD 3.41Å; N331-P749 VanDerWaalsContact ND2-CD 3.3Å; N331-P749 WeakPolarHBondContact ND2-CD 3.34Å |
| 332 | E | 34.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 54% | 0.542 | 63% | 0.633 | S | S | . | * | | | trans | 82.2 | 119.4 | 149.6 | -78.7 | 121.8 | -128.2 | 0 | 0 | 113.8 | | |
| 333 | N | 33.1 | Very low | 32.2 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | | | | 70.4 | 136.4 | 67.9 | -71.6 | 48.5 | 0 | 0 | 0 | 110.1 | | |
| 334 | E | 30.2 | Very low | 32.2 | Very low | 157 Ų | 157 | 122 Ų | 122 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | | | cis | -161 | 152.4 | 5.1 | -139.8 | 158.7 | 134.8 | 0 | 0 | 107.2 | | |
| 335 | I | 33.3 | Very low | 32.1 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 80% | 0.795 | 66% | 0.657 | S | S | * | * | | | | 161.1 | 161.9 | 106.4 | -94.5 | 142.1 | 0 | 0 | 0 | 110.2 | | |
| 336 | T | 34.6 | Very low | 32.1 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | | | trans | -53.2 | 162.8 | -164 | 60.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 337 | D | 30.2 | Very low | 31.9 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | | | trans | -29.1 | 164 | 134 | -57.6 | -64.2 | 0 | 0 | 0 | 115.5 | | |
| 338 | S | 31 | Very low | 31.6 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | | | cis | -169.6 | 165.9 | -3.9 | 42 | 0 | 0 | 0 | 0 | 110.2 | | |
| 339 | E | 29.9 | Very low | 31.5 | Very low | 182 Ų | 182 | 123.4 Ų | 123.4 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | | | trans | 66.2 | 151.4 | 165.1 | -64.7 | 170.3 | -169.7 | 0 | 0 | 116.3 | | |
| 340 | T | 29.5 | Very low | 31.3 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | | | cis | -133.5 | 169.9 | 14.2 | 30.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 341 | P | 37.1 | Very low | 31 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | | | trans | -110.7 | 170.9 | -174.8 | 41.5 | -34.5 | 0 | 0 | 0 | 115.1 | | |
| 342 | T | 29.7 | Very low | 31.1 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | | | trans | 179.8 | 143.8 | 133.5 | 30.8 | 0 | 0 | 0 | 0 | 113 | | |
| 343 | T | 31.5 | Very low | 31 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | | | trans | 58.8 | 144.7 | 148.4 | 55.1 | 0 | 0 | 0 | 0 | 120 | | |
| 344 | E | 30.7 | Very low | 30.8 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | | | cis | -164.7 | 170.3 | 5.7 | -126 | 162.5 | -154.4 | 0 | 0 | 114.4 | | |
| 345 | F | 30.7 | Very low | 30.7 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | | | trans | 60 | 102 | 154.9 | -71.1 | -58.9 | 0 | 0 | 0 | 124.8 | | |
| 346 | T | 32.2 | Very low | 30.6 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | | 50 | 132.9 | 122.7 | 51.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 347 | E | 28.8 | Very low | 30.4 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | | | | 51.4 | 148.5 | 130 | -63.2 | -164.3 | 135.2 | 0 | 0 | 122.9 | | |
| 348 | S | 27.8 | Very low | 30.3 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | cis | -165.8 | 160.9 | -15.4 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 349 | S | 29.7 | Very low | 30.2 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | | | trans | 79.6 | 138.5 | 146.6 | 89.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 350 | K | 28.9 | Very low | 30.2 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | | | trans | 64.3 | 104.7 | 139.7 | -70.9 | 171.5 | -179.2 | 172.9 | 0 | 122.9 | | |
| 351 | S | 28 | Very low | 29.9 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | | 100.8 | 160.4 | 111.1 | 83.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 352 | H | 32.5 | Very low | 29.4 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | | | trans | 42.2 | 104 | 171.4 | -65.5 | -83.7 | 0 | 0 | 0 | 119.3 | | |
| 353 | K | 31.2 | Very low | 29.3 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | | | | 69 | 100.3 | 82.1 | -88.8 | -166.9 | 172.6 | -178.7 | 0 | 116.6 | | |
| 354 | S | 29.3 | Very low | 29.3 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | | | trans | 68.9 | 117.9 | 130.2 | 62.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 355 | I | 28.7 | Very low | 29.1 | Very low | 170 Ų | 170 | 137 Ų | 137 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | | | trans | 72 | 128.5 | 136.1 | -61.2 | 168 | 0 | 0 | 0 | 114.8 | | |
| 356 | S | 31.1 | Very low | 29 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | | | cis | -134.2 | 177.7 | 29 | 60 | 0 | 0 | 0 | 0 | 116.1 | | |
| 357 | Q | 30.2 | Very low | 28.6 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | | | trans | -49.6 | 172.2 | 150.1 | -62.4 | 164.7 | -40.4 | 0 | 0 | 110.5 | | |
| 358 | I | 28.6 | Very low | 28.5 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | cis | -151.3 | -167.1 | 34.3 | -10.3 | 176.2 | 0 | 0 | 0 | 107.4 | | |
| 359 | N | 28.2 | Very low | 28.8 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | | | cis | -168.5 | -156.9 | 31.2 | -142.9 | -22.4 | 0 | 0 | 0 | 111.2 | | |
| 360 | V | 28.7 | Very low | 28.7 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -46.7 | 131.8 | 151.5 | 175 | 0 | 0 | 0 | 0 | 111.1 | | |
| 361 | Y | 23.6 | Very low | 28.8 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 47% | 0.471 | 72% | 0.718 | S | S | . | * | | | trans | 71.8 | 155.2 | -172.3 | -61.1 | -76.4 | 0 | 0 | 0 | 117.3 | Q781 H782 | Y361-Q781 VanDerWaalsContact CD1-CA 3.41Å; Y361-Q781 WeakPolarHBondContact CE1-O 3.45Å; Y361-H782 AromaticContact CD2-CE1 3.89Å; Y361-H782 AromaticContact CD2-ND1 3.36Å; Y361-H782 WeakPolarHBondContact CD2-ND1 3.39Å |
| 362 | R | 26.4 | Very low | 29 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 58% | 0.581 | 72% | 0.721 | S | S | * | * | | | | 170.7 | -9.1 | -60.4 | -176.3 | 168 | 165.1 | 177.5 | -9.9 | 111.4 | F778 S779 V780 | R362-F778 VanDerWaalsContact NE-C 3.32Å; R362-F778 PolarHBondContact NE-O 2.7Å; R362-F778 PolarHBondContact NH2-O 3.03Å; R362-S779 VanDerWaalsContact CD-O 3.23Å; R362-S779 WeakPolarHBondContact CD-O 3.47Å; R362-S779 WeakPolarHBondContact CG-O 3.49Å; R362-S779 VanDerWaalsContact CZ-O 3.3Å; R362-S779 PolarHBondContact NE-O 3.49Å; R362-S779 PolarHBondContact NH2-O 3.37Å; R362-S779 PolarHBondContact O-N 3.37Å; R362-V780 CarbonylContact C-O 3.58Å |
| 363 | K | 29.2 | Very low | 29 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 52% | 0.517 | 72% | 0.719 | S | S | . | * | | | trans | -149.4 | 175.4 | 159.6 | -112.9 | 177.5 | 175.6 | 158.5 | 0 | 108.6 | S779 V780 | K363-S779 VanDerWaalsContact CE-OG 3.24Å; K363-S779 WeakPolarHBondContact CE-OG 3.34Å; K363-S779 PolarHBondContact NZ-OG 2.87Å; K363-V780 HydrophobicContact CD-CG1 4.42Å; K363-V780 PolarHBondContact N-O 2.9Å |
| 364 | G | 31.7 | Very low | 29 | Very low | 60 Ų | 60 | 130.1 Ų | 130.1 | 62% | 0.619 | 71% | 0.714 | S | S | * | * | | | cis | -178.8 | -157.1 | 0.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 365 | R | 24.9 | Very low | 29.2 | Very low | 238 Ų | 238 | 130 Ų | 130 | 90% | 0.898 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -89.2 | 152.7 | 155 | -82.1 | -177.7 | 175.2 | 155.8 | -2.7 | 109.5 | | |
| 366 | S | 29.4 | Very low | 29.4 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | | | trans | 58.7 | 124.3 | 160.4 | 45.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 367 | L | 24.4 | Very low | 29.4 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 89% | 0.89 | 70% | 0.703 | S | S | * | * | | | trans | -69 | 177.6 | 163.9 | -69 | 160 | 0 | 0 | 0 | 112.1 | | |
| 368 | S | 25.7 | Very low | 29.4 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | | | trans | 84.4 | 151.4 | 165 | -156.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 369 | P | 33.4 | Very low | 29.5 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 69% | 0.694 | S | S | * | * | | | cis | -92.6 | 159 | -11.6 | 0.4 | 22.6 | 0 | 0 | 0 | 112 | | |
| 370 | A | 29.3 | Very low | 29.3 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | | | cis | 74 | 145.8 | 46.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 371 | D | 30.3 | Very low | 29.3 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 71% | 0.709 | S | S | * | * | | | cis | -148.4 | -171.6 | 22.5 | -113.1 | -54 | 0 | 0 | 0 | 113.3 | | |
| 372 | I | 31.9 | Very low | 29.4 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | | | trans | 82.3 | 114.3 | 169.4 | -50.9 | 170.7 | 0 | 0 | 0 | 114.3 | | |
| 373 | T | 33.6 | Very low | 29.6 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | | | cis | -151.8 | 164.9 | -7.6 | 18.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 374 | N | 31 | Very low | 29.7 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | cis | -150.5 | 157 | 9.1 | -140.3 | -15.2 | 0 | 0 | 0 | 111 | | |
| 375 | S | 33.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | | | trans | 29 | 142 | 143.8 | 66.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 376 | K | 32.4 | Very low | 29.9 | Very low | 167 Ų | 167 | 136 Ų | 136 | 73% | 0.726 | 75% | 0.748 | S | S | * | * | | | cis | -179.6 | 155.8 | -3.9 | -118 | 171.5 | 163.8 | -128.6 | 0 | 107.6 | | |
| 377 | E | 32.3 | Very low | 29.8 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | 59.2 | -178.5 | 148.1 | -70.3 | 166.3 | -142 | 0 | 0 | 117.3 | | |
| 378 | S | 28.8 | Very low | 29.8 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 53% | 0.531 | 74% | 0.741 | S | S | . | * | | | | -157.2 | 174.6 | -59.7 | 67.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 379 | K | 30.5 | Very low | 29.8 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | | | trans | 65 | 125.7 | 152.8 | -70.5 | 166.4 | -171.6 | 165.8 | 0 | 119.2 | | |
| 380 | F | 25 | Very low | 29.6 | Very low | 189 Ų | 189 | 142 Ų | 142 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | | | | 40.4 | 152.3 | 119.7 | -78.9 | -88.1 | 0 | 0 | 0 | 122.8 | | |
| 381 | L | 27.5 | Very low | 29.5 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | trans | 95.5 | 106.3 | 156.8 | -65.4 | 129.9 | 0 | 0 | 0 | 118 | | |
| 382 | F | 26.8 | Very low | 29.5 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 82% | 0.82 | 74% | 0.738 | S | S | * | * | | | | 41.6 | 127.6 | 123.1 | -74.9 | -91.6 | 0 | 0 | 0 | 120.5 | | |
| 383 | S | 30.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | | | trans | -6.4 | 135.8 | 144.8 | -46.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 384 | P | 30.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | | | | -143.2 | 148 | 95.6 | 36.7 | -23.5 | 0 | 0 | 0 | 116.4 | | |
| 385 | K | 32.1 | Very low | 29.4 | Very low | 209 Ų | 209 | 140.7 Ų | 140.7 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | | | trans | -84.2 | 135.2 | 136.9 | -70.8 | -179.1 | 176.7 | 179.9 | 0 | 105.8 | | |
| 386 | P | 30.5 | Very low | 29.5 | Very low | 101 Ų | 101 | 143 Ų | 143 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | | -146.2 | 143.1 | 86.2 | 41.9 | -25.7 | 0 | 0 | 0 | 113.9 | | |
| 387 | R | 25.6 | Very low | 29.4 | Very low | 210 Ų | 210 | 141 Ų | 141 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | | | | 71 | 127.2 | 101.8 | -68.5 | -178.7 | 157.4 | 175 | -5 | 117.9 | | |
| 388 | F | 26.2 | Very low | 29.5 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | trans | 66.9 | 150.6 | 146.1 | -61.2 | -41.5 | 0 | 0 | 0 | 118.2 | | |
| 389 | S | 25.7 | Very low | 29.5 | Very low | 89 Ų | 89 | 144.4 Ų | 144.4 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | | | cis | -175.6 | 150.8 | -15.2 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 390 | L | 27.2 | Very low | 29.5 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | 62 | 167.5 | 173.5 | -78.4 | 72.1 | 0 | 0 | 0 | 113.5 | | |
| 391 | A | 28.9 | Very low | 29.7 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | | | cis | -130.5 | 159.6 | -0.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 392 | E | 29 | Very low | 29.6 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | | | | 55.2 | 122.7 | 80 | -138.3 | 157.6 | -130.8 | 0 | 0 | 109.6 | | |
| 393 | S | 27.9 | Very low | 29.7 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | | | cis | -175.7 | -164 | 11.2 | 40.5 | 0 | 0 | 0 | 0 | 103.7 | | |
| 394 | D | 34.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 67% | 0.674 | 72% | 0.716 | S | S | * | * | | | cis | -150.5 | 147.5 | 18.1 | -101.8 | -49.5 | 0 | 0 | 0 | 108.7 | | |
| 395 | E | 32.7 | Very low | 29.4 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | | | | 69.9 | 123.2 | 104.8 | -143.1 | -176.3 | -140.4 | 0 | 0 | 112.7 | | |
| 396 | M | 34.7 | Very low | 29.2 | Very low | 138 Ų | 138 | 129 Ų | 129 | 68% | 0.68 | 68% | 0.681 | S | S | * | * | | | | -153.8 | 145.9 | 55.7 | -82.2 | -88.8 | -174.7 | 0 | 0 | 112.9 | | |
| 397 | N | 30.2 | Very low | 29.1 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | | | | 27.9 | 143.8 | 129.5 | -58.9 | -31.9 | 0 | 0 | 0 | 120.6 | | |
| 398 | D | 36.1 | Very low | 29.2 | Very low | 142 Ų | 142 | 118.6 Ų | 118.6 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | | | cis | -142.6 | 167.8 | 35.1 | -108.4 | -53.9 | 0 | 0 | 0 | 117 | | |
| 399 | Q | 27.3 | Very low | 29.2 | Very low | 152 Ų | 152 | 118.8 Ų | 118.8 | 71% | 0.71 | 65% | 0.649 | S | S | * | * | | | trans | -31.1 | 158.7 | 165.9 | -77.5 | -158.5 | 43.4 | 0 | 0 | 118.1 | | |
| 400 | P | 30 | Very low | 29.4 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | | | | -154.7 | 149.4 | 51.4 | 42 | -19.8 | 0 | 0 | 0 | 122.4 | | |
| 401 | I | 30 | Very low | 29.5 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | | | | 58.7 | 120.6 | 128.3 | -58.3 | 169.8 | 0 | 0 | 0 | 119.9 | N403 | I401-N403 HydrophobicContact CG2-CB 4.4Å; I401-N403 PolarHBondContact O-N 3.37Å |
| 402 | E | 25 | Very low | 29.5 | Very low | 196 Ų | 196 | 124.4 Ų | 124.4 | 92% | 0.916 | 65% | 0.652 | S | S | * | * | | | trans | -61.9 | 116.3 | 152.8 | -63.3 | -176.2 | 127.6 | 0 | 0 | 110.2 | | |
| 403 | N | 30.3 | Very low | 29.3 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | | | trans | -119.2 | 100.3 | 170.6 | -103.2 | -29.7 | 0 | 0 | 0 | 111.6 | I401 | I401-N403 HydrophobicContact CG2-CB 4.4Å; I401-N403 PolarHBondContact O-N 3.37Å |
| 404 | S | 27 | Very low | 29.3 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 59% | 0.594 | 66% | 0.655 | S | S | * | * | | | trans | -52.1 | 130.5 | 154.4 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | S406 | S404-S406 PolarHBondContact O-N 2.89Å; S404-S406 PolarHBondContact O-OG 3.49Å |
| 405 | Q | 26.1 | Very low | 28.9 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | | | trans | -76.8 | 74.7 | 165.8 | -68.1 | -161.9 | 3.3 | 0 | 0 | 110.8 | Q922 G924 | Q405-Q922 WeakPolarHBondContact CA-O 3.41Å; Q405-G924 PolarHBondContact NE2-O 2.87Å |
| 406 | S | 28 | Very low | 28.5 | Very low | 43 Ų | 43 | 124.3 Ų | 124.3 | 30% | 0.301 | 66% | 0.658 | S | S | . | * | | | trans | -70.7 | 168.4 | 162.1 | 5 | 0 | 0 | 0 | 0 | 110.5 | S404 G920 L921 Q922 | S404-S406 PolarHBondContact O-N 2.89Å; S404-S406 PolarHBondContact O-OG 3.49Å; S406-G920 WeakPolarHBondContact CB-O 3.16Å; S406-G920 PolarHBondContact OG-O 3.06Å; S406-L921 WeakPolarHBondContact CB-O 3.34Å; S406-L921 PolarHBondContact OG-O 3.02Å; S406-Q922 VanDerWaalsContact O-CA 3.31Å; S406-Q922 WeakPolarHBondContact O-CA 3.34Å; S406-Q922 PolarHBondContact O-N 3.26Å |
| 407 | S | 27.7 | Very low | 28 | Very low | 61 Ų | 61 | 122.8 Ų | 122.8 | 43% | 0.427 | 66% | 0.661 | S | S | . | * | | | trans | -64.9 | 149.8 | -159.7 | 58.6 | 0 | 0 | 0 | 0 | 116.8 | L921 | S407-L921 WeakPolarHBondContact O-CA 3.26Å; S407-L921 PolarHBondContact O-N 2.72Å |
| 408 | G | 27.8 | Very low | 27.9 | Very low | 32 Ų | 32 | 121.7 Ų | 121.7 | 33% | 0.33 | 66% | 0.663 | S | S | . | * | | | trans | 110.4 | 159.4 | 130.3 | 0 | 0 | 0 | 0 | 0 | 118 | Q922 | G408-Q922 WeakPolarHBondContact O-CG 3.38Å; G408-Q922 PolarHBondContact O-NE2 2.86Å |
| 409 | F | 27 | Very low | 27.8 | Very low | 181 Ų | 181 | 122.1 Ų | 122.1 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | | | cis | -157.6 | 168.1 | -8 | -110 | -65 | 0 | 0 | 0 | 110.5 | | |
| 410 | R | 29.1 | Very low | 27.6 | Very low | 205 Ų | 205 | 123.4 Ų | 123.4 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | | | trans | 84.9 | 137.2 | 175.1 | -54.5 | -168.3 | 173 | -78.8 | 1.9 | 115.6 | | |
| 411 | D | 30.9 | Very low | 27.4 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | | | cis | -160.2 | 165.2 | -12.3 | -103 | -27.8 | 0 | 0 | 0 | 106.6 | | |
| 412 | V | 28.2 | Very low | 27.5 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | | | cis | -136.5 | -107.5 | 13.7 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 413 | I | 25 | Very low | 27.3 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | | | trans | -153.7 | 149.9 | -160.4 | -50.8 | 161.1 | 0 | 0 | 0 | 104.9 | | |
| 414 | I | 28.6 | Very low | 27.2 | Very low | 156 Ų | 156 | 117.7 Ų | 117.7 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | | | | -167.5 | 116.2 | 79.9 | -75.3 | 163.5 | 0 | 0 | 0 | 111 | | |
| 415 | D | 25.7 | Very low | 27 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | | | | 35.1 | 151 | 129.3 | -124.6 | -24.4 | 0 | 0 | 0 | 126.9 | | |
| 416 | C | 23.6 | Very low | 27.1 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 68% | 0.676 | 68% | 0.682 | S | S | * | * | | | trans | 65.4 | 112.1 | 148.1 | -84.5 | 0 | 0 | 0 | 0 | 124.6 | | |
| 417 | S | 24.7 | Very low | 26.8 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | | | | 104 | 150.6 | 113.3 | 79.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 418 | S | 27.1 | Very low | 26.6 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | 89.2 | 145.9 | 152.3 | 80.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 419 | L | 34.4 | Very low | 26.7 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | 58.4 | 115.5 | 174.4 | -77.3 | 70.1 | 0 | 0 | 0 | 116.3 | | |
| 420 | E | 23.4 | Very low | 26.8 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | | | cis | 67.6 | 146.3 | 9.6 | -145.5 | 172.1 | -128.4 | 0 | 0 | 116.5 | | |
| 421 | S | 26.6 | Very low | 26.6 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | trans | 67.3 | 148.1 | -162.7 | 78.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 422 | A | 30.5 | Very low | 26.5 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | | | cis | -122.6 | 151.9 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 423 | I | 22.8 | Very low | 26.6 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 65% | 0.651 | 74% | 0.744 | S | S | * | * | | | cis | 80.6 | 87.2 | 24.2 | -50.3 | 174 | 0 | 0 | 0 | 114.8 | Y425 | I423-Y425 HydrophobicContact CG2-CD2 4.29Å; I423-Y425 HydrophobicContact CG2-CE2 4.5Å |
| 424 | S | 27.2 | Very low | 26.8 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | 175.6 | 124 | 145.4 | 24.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 425 | Y | 22.2 | Very low | 26.9 | Very low | 210 Ų | 210 | 131.4 Ų | 131.4 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | cis | 65.2 | 143.1 | 35.3 | -62.5 | -67 | 0 | 0 | 0 | 115 | I423 | I423-Y425 HydrophobicContact CG2-CD2 4.29Å; I423-Y425 HydrophobicContact CG2-CE2 4.5Å |
| 426 | P | 27.9 | Very low | 26.9 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | | | cis | -128.5 | 168 | -12.2 | 38.5 | -23.4 | 0 | 0 | 0 | 114.3 | | |
| 427 | V | 23.5 | Very low | 27.2 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 93% | 0.927 | 75% | 0.748 | S | S | * | * | | | trans | -120.4 | 88.5 | 147 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 428 | Q | 23.5 | Very low | 27.5 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | -116.9 | 113.9 | 155.3 | -81 | -171 | -18.5 | 0 | 0 | 107.3 | | |
| 429 | N | 28.4 | Very low | 27.8 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -110.6 | 116.4 | 140.8 | -97.8 | -47.3 | 0 | 0 | 0 | 104.7 | | |
| 430 | S | 29.9 | Very low | 27.7 | Very low | 84 Ų | 84 | 134 Ų | 134 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | | | | 72.5 | 110.1 | 88.4 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 431 | C | 25.2 | Very low | 27.9 | Very low | 124 Ų | 124 | 132 Ų | 132 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | | 61.4 | 132.2 | 83.7 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 432 | S | 29 | Very low | 28.1 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 48% | 0.483 | 75% | 0.746 | S | S | . | * | | | cis | -171.1 | 169.6 | 4.4 | 43.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 433 | H | 30.4 | Very low | 28 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 85% | 0.852 | 74% | 0.741 | S | S | * | * | | | | -172.6 | 95.5 | 123.1 | -93.8 | -63.6 | 0 | 0 | 0 | 106.8 | | |
| 434 | L | 28.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 135 Ų | 135 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | | 45.4 | 111.4 | 69.1 | -67.4 | 174 | 0 | 0 | 0 | 112.8 | | |
| 435 | N | 29.6 | Very low | 28.5 | Very low | 174 Ų | 174 | 136 Ų | 136 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | | | trans | -147.2 | 139.8 | 149.9 | -157.1 | -3.5 | 0 | 0 | 0 | 109.2 | | |
| 436 | G | 27.2 | Very low | 28.8 | Very low | 54 Ų | 54 | 130.5 Ų | 130.5 | 56% | 0.557 | 74% | 0.735 | S | S | * | * | | | trans | 79.2 | 132.3 | -159.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 437 | N | 28.7 | Very low | 28.8 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | cis | -158.3 | 159.4 | 3.3 | -151.3 | -13.5 | 0 | 0 | 0 | 111.8 | | |
| 438 | K | 32.3 | Very low | 29.1 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | | | trans | 71.3 | 102.8 | 164.9 | -56.7 | 176.6 | -177.7 | 179 | 0 | 120.1 | | |
| 439 | N | 31.6 | Very low | 29.3 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | | 64.7 | 122.6 | 117.8 | -60.7 | 11.3 | 0 | 0 | 0 | 123.4 | | |
| 440 | L | 32.5 | Very low | 29.3 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | | | trans | 74.2 | 101.6 | 132.9 | -61.7 | 169.5 | 0 | 0 | 0 | 121.1 | | |
| 441 | D | 29.4 | Very low | 29.1 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | | 71.6 | 138.8 | 118.6 | -61 | -3.2 | 0 | 0 | 0 | 124.6 | | |
| 442 | S | 30 | Very low | 29.1 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | | | trans | 80.4 | 117.4 | 155.6 | 69.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 443 | S | 28.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | | | trans | 33.3 | 127 | 144.1 | 59.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 444 | F | 30 | Very low | 28.6 | Very low | 176 Ų | 176 | 138 Ų | 138 | 77% | 0.772 | 73% | 0.733 | S | S | * | * | | | | -159.7 | 153.1 | 66.5 | -114.6 | -95.4 | 0 | 0 | 0 | 114.3 | | |
| 445 | D | 29 | Very low | 28.6 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | | | trans | 38.1 | 111.5 | 148.5 | -78 | 4.2 | 0 | 0 | 0 | 123.9 | | |
| 446 | S | 29.7 | Very low | 28.3 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | | | | 114.7 | 133.1 | 111.5 | 79.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 447 | R | 28.5 | Very low | 28.3 | Very low | 230 Ų | 230 | 137.3 Ų | 137.3 | 87% | 0.868 | 71% | 0.71 | S | S | * | * | | | trans | 63.8 | 125.8 | 160.3 | -58.5 | 168.3 | -167.3 | -164.3 | 3.6 | 115.7 | | |
| 448 | T | 29.8 | Very low | 28.1 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 68% | 0.681 | 71% | 0.711 | S | S | * | * | | | cis | -162.9 | 144.8 | 4.2 | -4.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 449 | Y | 27.8 | Very low | 27.9 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | | | trans | 55.8 | 105.8 | 172.8 | -65.8 | -74.7 | 0 | 0 | 0 | 115.2 | | |
| 450 | Q | 27.4 | Very low | 27.8 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | | | cis | 43.1 | 101.9 | 43.4 | -81.5 | -171.6 | -10.2 | 0 | 0 | 112.3 | | |
| 451 | S | 25.4 | Very low | 27.6 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | | | cis | 78.9 | 141.5 | 38.4 | -156.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 452 | L | 25 | Very low | 27.6 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 67% | 0.665 | 71% | 0.712 | S | S | * | * | | | trans | 60.5 | 112.6 | 165.1 | -65.8 | 158.6 | 0 | 0 | 0 | 119.3 | | |
| 453 | M | 25.1 | Very low | 27.5 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | | | | -161.3 | 120.3 | 95.3 | -135.8 | 64.4 | 72 | 0 | 0 | 107.9 | | |
| 454 | S | 25 | Very low | 27.6 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 52% | 0.524 | 72% | 0.722 | S | S | . | * | | | cis | 76.4 | 162.7 | 23.2 | 97.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 455 | V | 27.1 | Very low | 27.4 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 53% | 0.527 | 72% | 0.724 | S | S | . | * | | | trans | 77.4 | 91.4 | 178.9 | -167.2 | 0 | 0 | 0 | 0 | 116.9 | L457 | V455-L457 HydrophobicContact CG1-CD1 3.69Å; V455-L457 HydrophobicContact CG1-CG 3.89Å |
| 456 | Y | 24 | Very low | 27.3 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 52% | 0.522 | 72% | 0.724 | S | S | . | * | | | | -150 | 80 | 113.4 | -123.1 | -84.6 | 0 | 0 | 0 | 108.2 | S670 S671 | Y456-S670 WeakPolarHBondContact OH-CB 3.38Å; Y456-S670 PolarHBondContact OH-O 2.79Å; Y456-S671 PolarHBondContact OH-OG 3.49Å |
| 457 | L | 28.1 | Very low | 27.2 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 67% | 0.665 | 73% | 0.726 | S | S | * | * | | | | 83.1 | 127.9 | 90 | -102.5 | 165.5 | 0 | 0 | 0 | 113.6 | V455 | V455-L457 HydrophobicContact CG1-CD1 3.69Å; V455-L457 HydrophobicContact CG1-CG 3.89Å |
| 458 | N | 24.6 | Very low | 27 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | | | trans | -97.1 | 150.4 | -179.9 | -67.1 | -46.5 | 0 | 0 | 0 | 111 | | |
| 459 | D | 28.3 | Very low | 26.9 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | trans | -152 | 150.6 | 133.9 | -109.6 | -39 | 0 | 0 | 0 | 106.6 | | |
| 460 | V | 27.8 | Very low | 26.7 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | | | cis | -138.5 | 130.8 | 35.8 | 166.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 461 | A | 28.7 | Very low | 26.6 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 56% | 0.562 | 72% | 0.72 | S | S | * | * | | | trans | 52.5 | 124.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 462 | Q | 29.5 | Very low | 26.6 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | | | | 94 | 112.3 | 123.2 | -78.8 | -176.5 | 45.1 | 0 | 0 | 123.9 | | |
| 463 | K | 29 | Very low | 26.6 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | | | trans | 87.1 | 111.1 | 130.5 | -81.3 | -174.1 | 171.7 | -178.6 | 0 | 120.9 | | |
| 464 | N | 29.3 | Very low | 26.6 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | | | trans | -67.9 | 148.8 | 159.3 | -68.2 | -56 | 0 | 0 | 0 | 113 | | |
| 465 | R | 26.9 | Very low | 26.7 | Very low | 218 Ų | 218 | 134 Ų | 134 | 82% | 0.823 | 72% | 0.72 | S | S | * | * | | | trans | 63.5 | 119.5 | 134.9 | -76.8 | -179 | 163.8 | 175.6 | -3.7 | 121.7 | | |
| 466 | I | 26.7 | Very low | 26.7 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | | | | 102.2 | 109.5 | 117.9 | -75.8 | 173.8 | 0 | 0 | 0 | 120.7 | | |
| 467 | I | 27.8 | Very low | 26.9 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | trans | 80.8 | 104.8 | 138.3 | -67.8 | 179.9 | 0 | 0 | 0 | 122 | | |
| 468 | T | 24.6 | Very low | 26.7 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | | | trans | 40.4 | 146.8 | 134.9 | 75.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 469 | P | 27.2 | Very low | 26.7 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | | | | -136.3 | -172.7 | 87.8 | 39.6 | -27.7 | 0 | 0 | 0 | 115.2 | | |
| 470 | T | 24.2 | Very low | 26.7 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | | | trans | -135.8 | 148.7 | -156.3 | -37.9 | 0 | 0 | 0 | 0 | 114 | T472 | T470-T472 WeakPolarHBondContact CB-OG1 3.37Å; T470-T472 WeakPolarHBondContact CG2-OG1 3.3Å; T470-T472 PolarHBondContact O-OG1 3.49Å |
| 471 | V | 25.2 | Very low | 26.5 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 87% | 0.873 | 74% | 0.74 | S | S | * | * | | | trans | -131.5 | 115.4 | 157.4 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 472 | T | 24.2 | Very low | 26.5 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 49% | 0.485 | 75% | 0.753 | S | S | . | * | | | cis | 95.3 | 99.6 | 9.2 | -41.6 | 0 | 0 | 0 | 0 | 116.2 | T470 T474 | T470-T472 WeakPolarHBondContact CB-OG1 3.37Å; T470-T472 WeakPolarHBondContact CG2-OG1 3.3Å; T470-T472 PolarHBondContact O-OG1 3.49Å; T472-T474 HydrophobicContact CG2-CG2 3.34Å |
| 473 | I | 25.5 | Very low | 26.3 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | | | trans | -139.6 | 116.6 | 139.5 | -54.9 | 179.5 | 0 | 0 | 0 | 103.9 | | |
| 474 | T | 24.9 | Very low | 26.1 | Very low | 97 Ų | 97 | 135 Ų | 135 | 60% | 0.595 | 74% | 0.74 | S | S | * | * | | | cis | 76.9 | 97.7 | 28.8 | 63.3 | 0 | 0 | 0 | 0 | 118.5 | T472 | T472-T474 HydrophobicContact CG2-CG2 3.34Š|
| 475 | T | 27.7 | Very low | 25.9 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | | | | -122.2 | 109.4 | 122.5 | 49.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 476 | T | 27.5 | Very low | 25.9 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | | 54.5 | 126.6 | 89.9 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 477 | N | 26.7 | Very low | 25.9 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | | | cis | -137.1 | 175 | 38.1 | -125.9 | -10.6 | 0 | 0 | 0 | 115.7 | | |
| 478 | I | 25.5 | Very low | 26.1 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | trans | -135.5 | 151.1 | -173.6 | -75.8 | 171.8 | 0 | 0 | 0 | 109.6 | | |
| 479 | N | 24.1 | Very low | 26.5 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | trans | 67.6 | 158.8 | 174.7 | -67.2 | -8.6 | 0 | 0 | 0 | 115.3 | | |
| 480 | N | 27.7 | Very low | 26.5 | Very low | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | | | cis | -145.4 | 171 | 10 | -131.8 | -2.9 | 0 | 0 | 0 | 112.2 | | |
| 481 | T | 24.6 | Very low | 26.9 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | | | trans | -86.3 | 134.1 | 174 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 482 | L | 27.9 | Very low | 27.1 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | | | trans | -166 | 116.9 | 147.5 | -121.7 | 75 | 0 | 0 | 0 | 105.9 | | |
| 483 | S | 25 | Very low | 27.5 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 58% | 0.58 | 72% | 0.724 | S | S | * | * | | | | 71.3 | 119 | 92 | 81.6 | 0 | 0 | 0 | 0 | 116 | | |
| 484 | E | 24.3 | Very low | 27.4 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | | | trans | 72.5 | 144.9 | 130.3 | -81.6 | -176.3 | -138 | 0 | 0 | 123.4 | | |
| 485 | N | 26.6 | Very low | 27.6 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | | | trans | 76 | 94.1 | 145 | -61.3 | -23.7 | 0 | 0 | 0 | 121.6 | | |
| 486 | N | 26.8 | Very low | 27.5 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | | | | 90.2 | 118.8 | 110 | -62.9 | -19.8 | 0 | 0 | 0 | 121.7 | | |
| 487 | T | 25.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | | | trans | 58.7 | 102.2 | 131.6 | 63.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 488 | S | 32.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | | | | -152.9 | 85.8 | 124.8 | 61.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 489 | T | 32.2 | Very low | 27.8 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | | | | 69.1 | 117.4 | 87.8 | 60.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 490 | N | 29.1 | Very low | 28.1 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | | | trans | 76 | 137.1 | 136.9 | -61.2 | 7.8 | 0 | 0 | 0 | 118.4 | | |
| 491 | H | 31.6 | Very low | 28 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 65% | 0.648 | 71% | 0.714 | S | S | * | * | | | cis | -145 | 141.8 | 5.3 | -99.7 | -51.7 | 0 | 0 | 0 | 112.6 | | |
| 492 | N | 30.3 | Very low | 28.1 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | | | trans | 57.9 | 128.2 | 140.8 | -51.2 | -3.2 | 0 | 0 | 0 | 118.7 | | |
| 493 | I | 31 | Very low | 28.1 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | | | cis | -162.6 | 144.4 | 1 | -156.5 | 157.2 | 0 | 0 | 0 | 106.8 | | |
| 494 | C | 24.8 | Very low | 28.2 | Very low | 98 Ų | 98 | 135 Ų | 135 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | | | | 69.2 | 142 | 50.4 | -112 | 0 | 0 | 0 | 0 | 113.1 | | |
| 495 | L | 29 | Very low | 28.2 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | cis | -137.7 | 146.3 | 17.4 | -88.5 | 159.5 | 0 | 0 | 0 | 114 | | |
| 496 | D | 25.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | trans | 16.5 | 130.6 | 143.4 | -51.4 | -21 | 0 | 0 | 0 | 122.4 | | |
| 497 | N | 28.9 | Very low | 28.1 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | | | | -145.9 | 149.3 | 110.1 | -139.2 | -21.9 | 0 | 0 | 0 | 110.9 | | |
| 498 | T | 27.8 | Very low | 28.1 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | | | trans | -125.3 | 178.2 | -163.5 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 499 | N | 29.9 | Very low | 27.7 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | | | trans | 75.8 | 132.2 | 172.6 | -60.5 | -41.9 | 0 | 0 | 0 | 116.5 | | |
| 500 | Y | 28.7 | Very low | 27.6 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | | | cis | -139 | 143.1 | -7.4 | -97.7 | -73 | 0 | 0 | 0 | 109 | | |
| 501 | N | 26.6 | Very low | 27.4 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | | | trans | -142.8 | 92.4 | 168.5 | -133.1 | -10.9 | 0 | 0 | 0 | 110.6 | | |
| 502 | N | 27.2 | Very low | 27.4 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | | | trans | -99.6 | 80.7 | 176.6 | -95.5 | -12.2 | 0 | 0 | 0 | 110.2 | | |
| 503 | V | 28 | Very low | 27.3 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | trans | -128.2 | 121.9 | 160.7 | -179.9 | 0 | 0 | 0 | 0 | 108 | | |
| 504 | I | 27.1 | Very low | 27 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | trans | -71 | 134.5 | -178.1 | -67.1 | 171.4 | 0 | 0 | 0 | 109.7 | | |
| 505 | T | 24.2 | Very low | 27.1 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -63.1 | 131.6 | -177 | -27.8 | 0 | 0 | 0 | 0 | 112.3 | P507 | T505-P507 HydrophobicContact CG2-CB 4.37Å; T505-P507 HydrophobicContact CG2-CG 3.94Å |
| 506 | L | 23.8 | Very low | 27 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 94% | 0.937 | 76% | 0.76 | S | S | * | * | | | trans | -119.3 | 89.3 | 160.7 | -89.9 | 168.9 | 0 | 0 | 0 | 109.8 | | |
| 507 | P | 25.8 | Very low | 27 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 62% | 0.617 | 76% | 0.761 | S | S | * | * | | | trans | -106.4 | 173.3 | 172.2 | 40 | -29.8 | 0 | 0 | 0 | 111.6 | T505 | T505-P507 HydrophobicContact CG2-CB 4.37Å; T505-P507 HydrophobicContact CG2-CG 3.94Å |
| 508 | P | 26.8 | Very low | 27 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | cis | -118.9 | 158.9 | -12.1 | 32.5 | -17 | 0 | 0 | 0 | 113.1 | | |
| 509 | L | 22.6 | Very low | 27.1 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | -95.5 | 111.9 | 159.8 | -146.3 | 173.1 | 0 | 0 | 0 | 107.1 | I511 | L509-I511 HydrophobicContact CD2-CG1 4.41Å; L509-I511 HydrophobicContact CD2-CG2 4.15Å; L509-I511 PolarHBondContact O-N 2.83Å |
| 510 | N | 30.1 | Very low | 27.1 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | trans | -83.9 | 90.6 | 166.6 | -88.2 | 10.4 | 0 | 0 | 0 | 109.1 | | |
| 511 | I | 26.1 | Very low | 27.3 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | -74.6 | 175.7 | 160 | 14.6 | 174.6 | 0 | 0 | 0 | 109.4 | L509 | L509-I511 HydrophobicContact CD2-CG1 4.41Å; L509-I511 HydrophobicContact CD2-CG2 4.15Å; L509-I511 PolarHBondContact O-N 2.83Å |
| 512 | P | 32.1 | Very low | 27.5 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | cis | -130.7 | 179.2 | -2.4 | 35.9 | -16.4 | 0 | 0 | 0 | 114.6 | | |
| 513 | N | 26.7 | Very low | 27.7 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | | | | -165.6 | 125.2 | 111.1 | -97.2 | 2.3 | 0 | 0 | 0 | 109.9 | | |
| 514 | T | 24.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | | | trans | -124.5 | 124.1 | 173.6 | 46.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 515 | D | 27.2 | Very low | 28 | Very low | 163 Ų | 163 | 133 Ų | 133 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | trans | -127.4 | 124.7 | 161.7 | -86.2 | -50.7 | 0 | 0 | 0 | 109.4 | | |
| 516 | T | 27.6 | Very low | 28.4 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -79.9 | 148.6 | 166.7 | 48.5 | 0 | 0 | 0 | 0 | 109 | | |
| 517 | G | 26.2 | Very low | 28.7 | Very low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | | | cis | 128.6 | -146.3 | 44.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 518 | I | 27.9 | Very low | 28.9 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | 89.6 | 146 | 165.3 | -48.9 | 162.8 | 0 | 0 | 0 | 116.8 | | |
| 519 | I | 31 | Very low | 29.1 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | trans | 74.9 | 91.1 | -177.9 | -39.6 | -173.3 | 0 | 0 | 0 | 112.9 | | |
| 520 | D | 28.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | cis | 83.5 | 124.4 | 25.8 | -53.8 | -63.9 | 0 | 0 | 0 | 117.4 | | |
| 521 | D | 32.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | | | trans | -158.5 | 106.6 | 152.8 | -110 | -32.4 | 0 | 0 | 0 | 104 | | |
| 522 | G | 31.5 | Very low | 30 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | | | | 99.4 | 135 | 83.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 523 | L | 31.7 | Very low | 30.1 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | cis | -147.2 | 150.2 | 15.8 | -94.3 | 87.4 | 0 | 0 | 0 | 111.7 | | |
| 524 | Y | 29.5 | Very low | 30.3 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | | | trans | 51.9 | 135.9 | 133.5 | -67.7 | -128.4 | 0 | 0 | 0 | 118.4 | | |
| 525 | N | 32.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | | | cis | -172.1 | 164.3 | 16.9 | -122.9 | 25 | 0 | 0 | 0 | 107.8 | | |
| 526 | T | 31.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | | | cis | -163.9 | -173.1 | -6.4 | 3.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 527 | E | 31.2 | Very low | 30.7 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | | | cis | -159.7 | 162.7 | 9.5 | -139.6 | -162.7 | 142.5 | 0 | 0 | 110 | | |
| 528 | K | 30.3 | Very low | 30.8 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | | | trans | 62.1 | 140.7 | 158.3 | -68.4 | 160.9 | 173.1 | 132.1 | 0 | 117.5 | | |
| 529 | M | 30.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | | | cis | -164.2 | 142.1 | -7.4 | -123.2 | 174.5 | 172.2 | 0 | 0 | 109.6 | | |
| 530 | N | 31.9 | Very low | 30.6 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | 60.5 | 151.9 | 146.5 | -60.7 | 0.4 | 0 | 0 | 0 | 120.4 | | |
| 531 | S | 30.7 | Very low | 30.6 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | | | cis | 178.4 | 170.6 | -27.1 | 48 | 0 | 0 | 0 | 0 | 109.2 | | |
| 532 | F | 34.4 | Very low | 30.3 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | 74.6 | 142.5 | 173.7 | -68 | -83.7 | 0 | 0 | 0 | 117 | | |
| 533 | E | 34.4 | Very low | 30.2 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | cis | -152.3 | -176 | -13.7 | -157.2 | 158.2 | -140.4 | 0 | 0 | 110.6 | | |
| 534 | S | 31.6 | Very low | 30.1 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | trans | -133.2 | 151.6 | -162.8 | 62.3 | 0 | 0 | 0 | 0 | 117 | | |
| 535 | N | 28.1 | Very low | 30.2 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | | | trans | 12.1 | 133.6 | 147.8 | -55.6 | -16.8 | 0 | 0 | 0 | 120.8 | | |
| 536 | Q | 31.6 | Very low | 30.1 | Very low | 200 Ų | 200 | 140 Ų | 140 | 94% | 0.935 | 73% | 0.731 | S | S | * | * | | | | -164.7 | 170.2 | 125.5 | -114.6 | 162.2 | 87.9 | 0 | 0 | 114.9 | | |
| 537 | S | 26.6 | Very low | 30.1 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | -151.2 | 150.6 | -166.1 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 538 | T | 28.6 | Very low | 29.8 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | trans | -159.6 | 130.9 | 168 | 17.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 539 | F | 26.5 | Very low | 29.7 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | | 59.9 | 130.5 | 87.3 | -82.2 | -85.7 | 0 | 0 | 0 | 113.9 | | |
| 540 | S | 29.3 | Very low | 29.5 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | cis | -157.5 | 152.5 | 12.8 | -49.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 541 | I | 27.7 | Very low | 29.4 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | 50.2 | 136.7 | 139.2 | -58.8 | 171.3 | 0 | 0 | 0 | 121.6 | | |
| 542 | N | 26.1 | Very low | 29.2 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | trans | -72.3 | 147 | -173.5 | -62.9 | -5.1 | 0 | 0 | 0 | 117.3 | | |
| 543 | I | 29.6 | Very low | 28.8 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -135.2 | 81.1 | 137.6 | -54.7 | -178.4 | 0 | 0 | 0 | 110.2 | | |
| 544 | H | 29.9 | Very low | 28.5 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 174.1 | 129.7 | 141.4 | -108.6 | -77.7 | 0 | 0 | 0 | 108.6 | | |
| 545 | H | 31.5 | Very low | 28.2 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 42.6 | 117.9 | 168.2 | -60.4 | -60.6 | 0 | 0 | 0 | 119.1 | | |
| 546 | D | 30.1 | Very low | 28.1 | Very low | 122 Ų | 122 | 148 Ų | 148 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | | | cis | -144.6 | 176.5 | 0.7 | -87.6 | -44.4 | 0 | 0 | 0 | 111.3 | | |
| 547 | H | 31.2 | Very low | 27.9 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | | | trans | -76.8 | 142.7 | -160.1 | -66.4 | -96.2 | 0 | 0 | 0 | 116.2 | | |
| 548 | I | 26.4 | Very low | 28 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 93% | 0.928 | 75% | 0.752 | S | S | * | * | | | trans | -124 | 119.9 | 150.6 | -63.8 | 176.8 | 0 | 0 | 0 | 106.7 | | |
| 549 | G | 26.8 | Very low | 28 | Very low | 62 Ų | 62 | 148.3 Ų | 148.3 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | | | trans | 177.2 | 76.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 550 | Q | 27.4 | Very low | 28.1 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | 72.4 | 168.7 | 148.6 | -53.1 | -178.3 | -2.3 | 0 | 0 | 120.1 | | |
| 551 | H | 29.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | trans | 80.3 | 92.2 | 169 | -66.4 | -71.8 | 0 | 0 | 0 | 121.1 | | |
| 552 | N | 26.2 | Very low | 28.2 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | | | trans | -46.6 | 163 | 164.4 | -48.1 | -29.1 | 0 | 0 | 0 | 117.4 | | |
| 553 | N | 25.4 | Very low | 28.5 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | 87.8 | 152.8 | 152.8 | -64 | -11.5 | 0 | 0 | 0 | 119.6 | | |
| 554 | F | 28.9 | Very low | 28.5 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | | | trans | 68 | 87.7 | -174.1 | -58.9 | -78.1 | 0 | 0 | 0 | 114.5 | | |
| 555 | T | 24.9 | Very low | 28.5 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | | | | 73.9 | 120.7 | 56.4 | 76.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 556 | H | 25.2 | Very low | 28.4 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | | | trans | 68.3 | 148.1 | 168.3 | -65 | -74.3 | 0 | 0 | 0 | 115.5 | | |
| 557 | D | 27.6 | Very low | 28.6 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | | | cis | -143 | 170.7 | 24 | -137.8 | -13.3 | 0 | 0 | 0 | 116.3 | | |
| 558 | L | 28.6 | Very low | 28.6 | Very low | 133 Ų | 133 | 146 Ų | 146 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | | | trans | 35.1 | 124.3 | 155.9 | -68.6 | 156.2 | 0 | 0 | 0 | 118.6 | | |
| 559 | Q | 29.4 | Very low | 28.4 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | | -144.1 | 111.2 | 66.5 | -151.6 | 161.3 | 23.9 | 0 | 0 | 115.7 | | |
| 560 | S | 28.5 | Very low | 28.8 | Very low | 86 Ų | 86 | 151.5 Ų | 151.5 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | | | trans | 53.5 | 102.1 | 144 | -57.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 561 | P | 30.3 | Very low | 28.6 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | trans | -87.3 | 132.1 | 155.6 | 33.8 | -31.2 | 0 | 0 | 0 | 112.9 | | |
| 562 | M | 28.8 | Very low | 28.4 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | | | trans | -156.7 | 147.3 | 171.3 | -84 | -157.6 | 165 | 0 | 0 | 108.7 | | |
| 563 | I | 31.5 | Very low | 28.2 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 61% | 0.605 | 75% | 0.75 | S | S | * | * | | | cis | -156.7 | 143.4 | -0.9 | -125.5 | 173.3 | 0 | 0 | 0 | 110.3 | | |
| 564 | K | 30.3 | Very low | 28.2 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | | | trans | 58 | 125.7 | 153.2 | -64.7 | 176.4 | 176.2 | -176.2 | 0 | 121.2 | | |
| 565 | E | 30.1 | Very low | 28.2 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | | | | 70.1 | 146.5 | 100.8 | -59.3 | -179.3 | 105.6 | 0 | 0 | 116.2 | | |
| 566 | K | 30.1 | Very low | 28.4 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | | | cis | -162.9 | 152.9 | -12 | -110.5 | 166.6 | -177.8 | 160.6 | 0 | 107.4 | | |
| 567 | P | 33.4 | Very low | 28.6 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -82.1 | 130.4 | 176.6 | 31.7 | -33.3 | 0 | 0 | 0 | 112.6 | | |
| 568 | K | 30.8 | Very low | 28.6 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | | | trans | -173.3 | 102.2 | 160.4 | -110.6 | 164.2 | -174 | -179.2 | 0 | 115 | | |
| 569 | R | 23.7 | Very low | 28.6 | Very low | 248 Ų | 248 | 146.1 Ų | 146.1 | 94% | 0.936 | 76% | 0.759 | S | S | * | * | | | trans | 52 | 172.3 | 141.7 | -88.4 | -170.4 | 175.5 | 176.5 | 0.2 | 119.6 | | |
| 570 | P | 34.5 | Very low | 28.5 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | trans | -106 | 174.5 | -145.9 | 38.9 | -36.1 | 0 | 0 | 0 | 116.9 | | |
| 571 | V | 23.1 | Very low | 28.4 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | 125 | 124.1 | 148.5 | 175 | 0 | 0 | 0 | 0 | 116.1 | | |
| 572 | L | 24.7 | Very low | 28.3 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | 69.5 | 102.4 | 161.6 | -103.7 | 71.6 | 0 | 0 | 0 | 122.8 | | |
| 573 | C | 22.4 | Very low | 28.1 | Very low | 100 Ų | 100 | 153 Ų | 153 | 68% | 0.676 | 76% | 0.763 | S | S | * | * | | | | 91.2 | 138.7 | 109.5 | -97.3 | 0 | 0 | 0 | 0 | 125.1 | | |
| 574 | L | 26.3 | Very low | 27.9 | Very low | 144 Ų | 144 | 158.8 Ų | 158.8 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | 71.1 | 108.5 | 140.3 | -75.7 | 162.2 | 0 | 0 | 0 | 121 | | |
| 575 | F | 28.3 | Very low | 27.9 | Very low | 197 Ų | 197 | 160 Ų | 160 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | | -162.5 | 109.8 | 110.3 | -91.4 | -66.6 | 0 | 0 | 0 | 107.9 | | |
| 576 | S | 28.7 | Very low | 27.9 | Very low | 99 Ų | 99 | 161.3 Ų | 161.3 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | | 67 | 136.6 | 100.5 | 72 | 0 | 0 | 0 | 0 | 115.6 | | |
| 577 | A | 29.4 | Very low | 27.9 | Very low | 78 Ų | 78 | 162.2 Ų | 162.2 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | | | cis | -144.2 | 176 | 7.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 578 | N | 28.1 | Very low | 27.8 | Very low | 158 Ų | 158 | 167.1 Ų | 167.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | cis | -110.4 | 148.8 | 16.4 | -62 | -43.1 | 0 | 0 | 0 | 111.3 | | |
| 579 | K | 28.8 | Very low | 27.6 | Very low | 179 Ų | 179 | 163.3 Ų | 163.3 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | | | cis | 64.6 | 78.5 | 28.4 | -78.3 | -169.6 | 174.1 | 179.5 | 0 | 116.1 | | |
| 580 | Y | 26.6 | Very low | 28 | Very low | 209 Ų | 209 | 158.7 Ų | 158.7 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | | | | -130.6 | 100.1 | 120.1 | -117.2 | -81.1 | 0 | 0 | 0 | 110.2 | Q582 | Y580-Q582 HydrophobicContact CE1-CG 4.28Š|
| 581 | N | 26.6 | Very low | 27.7 | Very low | 155 Ų | 155 | 158.4 Ų | 158.4 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | -155.9 | 81.6 | 170.1 | -152 | -14.2 | 0 | 0 | 0 | 108.2 | K583 | N581-K583 PolarHBondContact O-N 3.37Š|
| 582 | Q | 27.6 | Very low | 27.9 | Very low | 158 Ų | 158 | 160.3 Ų | 160.3 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | trans | -84.5 | 89.3 | -175 | -75 | -170 | -3.1 | 0 | 0 | 111.7 | Y580 | Y580-Q582 HydrophobicContact CE1-CG 4.28Š|
| 583 | K | 25.7 | Very low | 28 | Very low | 194 Ų | 194 | 159.1 Ų | 159.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -141 | 88.3 | 155.5 | -85.7 | -164 | 175.2 | -177.3 | 0 | 111 | N581 | N581-K583 PolarHBondContact O-N 3.37Š|
| 584 | R | 26.2 | Very low | 28.4 | Very low | 239 Ų | 239 | 161.2 Ų | 161.2 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | 172.7 | 110.9 | 148 | -101.7 | 167.5 | -178.2 | -171 | 1.1 | 111.6 | | |
| 585 | H | 30.8 | Very low | 28.5 | Very low | 185 Ų | 185 | 160.8 Ų | 160.8 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | | -163.1 | 140 | 124.3 | -82.1 | -68.6 | 0 | 0 | 0 | 103.8 | | |
| 586 | L | 29.8 | Very low | 28.6 | Very low | 159 Ų | 159 | 157.5 Ų | 157.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | cis | -126.9 | 179.7 | 27.5 | -150.8 | 67.3 | 0 | 0 | 0 | 113.4 | | |
| 587 | K | 30.3 | Very low | 28.7 | Very low | 189 Ų | 189 | 160.7 Ų | 160.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -64.1 | 149.4 | 171.2 | -54.3 | 166 | -177.2 | 174.6 | 0 | 109.2 | | |
| 588 | R | 30.5 | Very low | 28.8 | Very low | 223 Ų | 223 | 163.9 Ų | 163.9 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | | -155.2 | 159.3 | 50.9 | -89.4 | 178.6 | 159.8 | 124.2 | -8 | 112.6 | | |
| 589 | N | 28.1 | Very low | 28.9 | Very low | 126 Ų | 126 | 162.4 Ų | 162.4 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | | | trans | 48 | 115.7 | 148.7 | -58.5 | 20.6 | 0 | 0 | 0 | 118.1 | | |
| 590 | N | 30.5 | Very low | 28.9 | Very low | 151 Ų | 151 | 160.8 Ų | 160.8 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | | 68.9 | 135.8 | 69.9 | -65.2 | 17.9 | 0 | 0 | 0 | 112.6 | | |
| 591 | S | 29.4 | Very low | 29.3 | Very low | 103 Ų | 103 | 157.2 Ų | 157.2 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | cis | -166.7 | 172.1 | -12.5 | 41.3 | 0 | 0 | 0 | 0 | 109.6 | T593 | S591-T593 PolarHBondContact O-N 3.47Š|
| 592 | I | 26.8 | Very low | 29.6 | Very low | 166 Ų | 166 | 156.3 Ų | 156.3 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | -55.7 | 121.7 | 177.7 | -61.2 | 159.1 | 0 | 0 | 0 | 111.8 | | |
| 593 | T | 27.5 | Very low | 29.8 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | -154.3 | 158.3 | 145.1 | 15.3 | 0 | 0 | 0 | 0 | 108.4 | S591 | S591-T593 PolarHBondContact O-N 3.47Š|
| 594 | I | 29.4 | Very low | 30.1 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | trans | -119.9 | 155 | 177.5 | -74.7 | 173.3 | 0 | 0 | 0 | 107 | | |
| 595 | D | 29 | Very low | 30.5 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | 74.2 | 111 | 178.1 | -51.1 | -29.4 | 0 | 0 | 0 | 118.4 | | |
| 596 | D | 31.4 | Very low | 30.8 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | | 52.6 | 107.9 | 126.7 | -53.9 | -13.2 | 0 | 0 | 0 | 122.6 | | |
| 597 | N | 29.8 | Very low | 31.2 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | | | | -105.9 | 128.1 | 122.7 | -54.1 | -76.7 | 0 | 0 | 0 | 104.9 | | |
| 598 | H | 32.7 | Very low | 31.5 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | cis | 65.7 | 80.2 | 28.6 | -97.2 | -30.9 | 0 | 0 | 0 | 115.1 | | |
| 599 | D | 29.1 | Very low | 31.4 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | | | | 48.1 | 157.5 | 117 | -51.1 | -47.6 | 0 | 0 | 0 | 123.7 | | |
| 600 | D | 30.1 | Very low | 31.7 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | | | trans | 86.1 | 150.2 | 157.1 | -68.2 | -27.9 | 0 | 0 | 0 | 121.9 | | |
| 601 | N | 33.4 | Very low | 31.8 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | trans | 75.1 | 124.7 | -175.1 | -40.4 | -75.8 | 0 | 0 | 0 | 113.9 | | |
| 602 | D | 33.9 | Very low | 31.7 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | | | cis | -134.2 | 135.2 | 2.4 | -80.7 | -47.6 | 0 | 0 | 0 | 109 | | |
| 603 | I | 30.7 | Very low | 32 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | | | | 84.6 | 143.1 | 59.7 | -73.5 | 178 | 0 | 0 | 0 | 112.2 | | |
| 604 | N | 32.2 | Very low | 32.2 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | | | trans | 67.7 | 139.1 | -171.8 | -73.8 | 36.6 | 0 | 0 | 0 | 114.5 | | |
| 605 | D | 36.1 | Very low | 32.5 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | cis | -153 | 165.1 | -3.5 | -89.7 | -31.8 | 0 | 0 | 0 | 106.9 | | |
| 606 | D | 37.2 | Very low | 32.8 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | | | cis | -173.2 | 169.1 | -24.6 | -175.5 | 23.2 | 0 | 0 | 0 | 106 | | |
| 607 | N | 37 | Very low | 33.1 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 59% | 0.594 | 71% | 0.711 | S | S | * | * | | | trans | 32.3 | 125.8 | 153.2 | -84.9 | -53.3 | 0 | 0 | 0 | 123.2 | | |
| 608 | N | 36 | Very low | 33.2 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | | | trans | 68.7 | 115.5 | 138.8 | -62.6 | -45 | 0 | 0 | 0 | 122.1 | | |
| 609 | N | 29.5 | Very low | 33.4 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | | 18 | 112.1 | 115.9 | -64.5 | -19.7 | 0 | 0 | 0 | 117.6 | | |
| 610 | N | 33.9 | Very low | 33.7 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | | | | -174.8 | 147.8 | 98.4 | -90.8 | -33.4 | 0 | 0 | 0 | 113.4 | | |
| 611 | N | 32 | Very low | 34 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | | | trans | 113.1 | 83.8 | 167.4 | -63.3 | -9.1 | 0 | 0 | 0 | 115.1 | N613 | N611-N613 VanDerWaalsContact C-N 3.34Š|
| 612 | G | 28.1 | Very low | 34 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | | | cis | 63.3 | 29 | -1.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I614 | G612-I614 VanDerWaalsContact C-N 3.34Å; G612-I614 PolarHBondContact O-N 3.19Å |
| 613 | N | 32.7 | Very low | 34 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | | | trans | -72.5 | 93 | -177.1 | -156.3 | 39.6 | 0 | 0 | 0 | 109.3 | N611 | N611-N613 VanDerWaalsContact C-N 3.34Š|
| 614 | I | 32.7 | Very low | 34 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 77.2 | 113.5 | 165.2 | -57.8 | 166.2 | 0 | 0 | 0 | 115.2 | G612 | G612-I614 VanDerWaalsContact C-N 3.34Å; G612-I614 PolarHBondContact O-N 3.19Å |
| 615 | H | 34.9 | Very low | 33.9 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | | | trans | 65.5 | 134.1 | 168 | -70.2 | -67.8 | 0 | 0 | 0 | 117.8 | | |
| 616 | D | 34.8 | Very low | 33.9 | Very low | 125 Ų | 125 | 138 Ų | 138 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | | | cis | -140.1 | 138.1 | 8.7 | -94.8 | -46 | 0 | 0 | 0 | 115.6 | | |
| 617 | V | 38.3 | Very low | 33.8 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | | | trans | 32.1 | 116.2 | 131.5 | -174.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 618 | K | 32.6 | Very low | 33.8 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | | | cis | 101.2 | 112.4 | 36.6 | 177.8 | -167.9 | -179.9 | -176.3 | 0 | 113.6 | | |
| 619 | Q | 37.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | | | trans | 177.5 | 129.2 | 149.6 | -98 | 166.3 | 9 | 0 | 0 | 107.4 | | |
| 620 | D | 35.1 | Very low | 34 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | | | | 77.3 | 129.3 | 65.4 | -66.6 | -46.1 | 0 | 0 | 0 | 112.6 | | |
| 621 | M | 36.7 | Very low | 33.8 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | | | cis | -132.9 | 155.1 | 2.5 | -68.4 | -162.9 | -64.5 | 0 | 0 | 110.4 | | |
| 622 | D | 32 | Very low | 34 | Very low | 123 Ų | 123 | 141 Ų | 141 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | | | | 63.8 | 130.9 | 59.8 | -117.6 | 46.4 | 0 | 0 | 0 | 112.3 | R624 | D622-R624 IonicContact OD2-NH2 3.03Å; D622-R624 PolarHBondContact OD2-NH2 2.9Å |
| 623 | V | 33.5 | Very low | 34.1 | Very low | 89 Ų | 89 | 142 Ų | 142 | 54% | 0.539 | 72% | 0.716 | S | S | . | * | | | cis | -175.1 | 163.5 | 2.9 | 79.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 624 | R | 32.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 142 Ų | 142 | 63% | 0.63 | 72% | 0.721 | S | S | * | * | | | trans | 64.4 | 122.8 | 151.1 | -81.5 | 152.4 | -105.9 | 178.2 | 4.5 | 122.8 | D622 | D622-R624 IonicContact OD2-NH2 3.03Å; D622-R624 PolarHBondContact OD2-NH2 2.9Å |
| 625 | R | 29.9 | Very low | 34.4 | Very low | 219 Ų | 219 | 141.2 Ų | 141.2 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | | | trans | 70 | 152.1 | 131.9 | -60 | 169.2 | 179.8 | 166.9 | -1 | 117.1 | | |
| 626 | L | 35 | Very low | 34.3 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | | | cis | -144.1 | 154.1 | 32.9 | -87.9 | 83.5 | 0 | 0 | 0 | 114.4 | | |
| 627 | R | 35.9 | Very low | 34.2 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | | | trans | 31.3 | 148 | 133.8 | -53.2 | -179 | -179.9 | 175 | -3.4 | 120.5 | | |
| 628 | Q | 36.4 | Very low | 33.9 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | cis | -170.9 | 178.5 | -4 | -110.2 | 168.6 | -110.3 | 0 | 0 | 107.3 | | |
| 629 | G | 35.1 | Very low | 33.8 | Very low | 57 Ų | 57 | 139.3 Ų | 139.3 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | | | cis | 137 | 156.8 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 630 | T | 35 | Very low | 33.5 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | trans | 67.1 | 155 | 168.6 | 52.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 631 | N | 30.5 | Very low | 33.4 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | | | cis | -173.2 | -175.3 | -35.9 | -147.4 | -19.6 | 0 | 0 | 0 | 110.1 | | |
| 632 | I | 35.7 | Very low | 33.1 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | trans | 72.7 | 116.9 | 167.1 | -41.7 | 179.1 | 0 | 0 | 0 | 115.4 | | |
| 633 | S | 30.7 | Very low | 33.1 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | | | cis | 99 | 129.9 | 14.6 | 93.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 634 | T | 34.2 | Very low | 32.9 | Very low | 126 Ų | 126 | 138 Ų | 138 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | trans | 178.5 | 109.7 | 144.7 | 23.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 635 | T | 35.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | | | trans | 65 | 147.2 | 136 | 62.9 | 0 | 0 | 0 | 0 | 123 | | |
| 636 | K | 33.8 | Very low | 32.8 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | | | cis | -164.4 | 132.3 | -6.8 | -108.3 | 168.7 | -179.3 | 178.2 | 0 | 109.7 | | |
| 637 | L | 32.9 | Very low | 32.5 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | | | | 72 | 147.6 | 99.4 | -67.4 | -170.9 | 0 | 0 | 0 | 117.6 | | |
| 638 | S | 31.9 | Very low | 32.2 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | | | cis | -175.9 | -170.9 | -6.2 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 639 | V | 30.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | trans | 94.7 | 108.8 | 163.4 | -171.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 640 | N | 29.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | | | | 84.4 | 148.4 | 53.9 | -69 | 19.7 | 0 | 0 | 0 | 113.2 | | |
| 641 | N | 33.2 | Very low | 31 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | | | cis | -166.3 | 179.9 | -2.3 | -107.7 | 13.6 | 0 | 0 | 0 | 108.2 | | |
| 642 | Q | 29.9 | Very low | 30.7 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | | | cis | 179.1 | -164.6 | -27.2 | -161.9 | -180 | 22.9 | 0 | 0 | 107.3 | | |
| 643 | I | 31.8 | Very low | 30.1 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | trans | 77 | 135 | 148.1 | -77.1 | 164.6 | 0 | 0 | 0 | 117.9 | | |
| 644 | N | 30 | Very low | 30 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 65% | 0.647 | 73% | 0.733 | S | S | * | * | | | cis | -171.5 | 169.4 | -1.6 | -128 | -15.2 | 0 | 0 | 0 | 116.9 | | |
| 645 | R | 29.4 | Very low | 29.5 | Very low | 214 Ų | 214 | 132.4 Ų | 132.4 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | | | trans | 77.3 | 150.3 | 147.4 | -75.2 | 176.5 | 179.5 | 179.4 | -1 | 122.9 | | |
| 646 | I | 31.8 | Very low | 29.2 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | | | cis | -169.5 | 148.9 | -25.8 | -133.7 | -180 | 0 | 0 | 0 | 114 | | |
| 647 | T | 29 | Very low | 28.9 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | | | trans | 51.4 | 156.8 | 161.9 | 58.2 | 0 | 0 | 0 | 0 | 123 | | |
| 648 | G | 29.1 | Very low | 28.8 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 72% | 0.719 | S | S | * | * | | | cis | 164.8 | 156 | -10.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 649 | S | 26.1 | Very low | 28.6 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | | | trans | 75.7 | 130 | 155.7 | -155.8 | 0 | 0 | 0 | 0 | 126.2 | | |
| 650 | S | 27 | Very low | 28.7 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | | | trans | 71.4 | 128.8 | 137.1 | 55.1 | 0 | 0 | 0 | 0 | 126.7 | | |
| 651 | N | 27.6 | Very low | 28.5 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | | | trans | 61.6 | 112 | 135.4 | -62.6 | -3.7 | 0 | 0 | 0 | 124.7 | | |
| 652 | N | 24.1 | Very low | 28.3 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | | | | 48.6 | 135 | 124.4 | -110.5 | 5.3 | 0 | 0 | 0 | 124.1 | | |
| 653 | I | 24.2 | Very low | 28.3 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | | | trans | 85.4 | 142.1 | 151.5 | -64.1 | 166.2 | 0 | 0 | 0 | 118.6 | | |
| 654 | N | 27.7 | Very low | 28 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | | | trans | 69.1 | 157.3 | 173.8 | -76.7 | -21.9 | 0 | 0 | 0 | 117.4 | | |
| 655 | N | 23.5 | Very low | 27.8 | Very low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | | | cis | -179.3 | 168.8 | -41.5 | -122.6 | -29.4 | 0 | 0 | 0 | 106.9 | | |
| 656 | N | 29.3 | Very low | 27.7 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | | | trans | 69.4 | 148.7 | 169.9 | -52.6 | -9.2 | 0 | 0 | 0 | 115.4 | | |
| 657 | N | 27.8 | Very low | 27.5 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | | | cis | -160.7 | 175.4 | -19.2 | -117.3 | 8.2 | 0 | 0 | 0 | 111 | | |
| 658 | D | 32 | Very low | 27.3 | Very low | 125 Ų | 125 | 123 Ų | 123 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | | | trans | 71.3 | 118.6 | 160.2 | -56.3 | -43 | 0 | 0 | 0 | 118.6 | | |
| 659 | N | 27.4 | Very low | 27.2 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | | | cis | 93.3 | 109.8 | 38 | -72.3 | -43.8 | 0 | 0 | 0 | 113.4 | | |
| 660 | I | 31.6 | Very low | 27.2 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | | | | 161.5 | 145.7 | 128.6 | -85.8 | 162.8 | 0 | 0 | 0 | 112.7 | L681 Q682 | I660-L681 HydrophobicContact CD1-CD1 4.22Å; I660-L681 HydrophobicContact CG2-CB 4.38Å; I660-L681 HydrophobicContact CG2-CD1 3.93Å; I660-L681 HydrophobicContact CG2-CG 3.98Å; I660-Q682 HydrophobicContact CG1-CG 4.44Å; I660-Q682 HydrophobicContact CG2-CG 4.18Å |
| 661 | C | 26.9 | Very low | 27 | Very low | 60 Ų | 60 | 124.4 Ų | 124.4 | 41% | 0.405 | 67% | 0.667 | S | S | . | * | | | trans | -86.4 | -173.3 | -176.1 | -29.3 | 0 | 0 | 0 | 0 | 112.5 | L681 | C661-L681 CarbonylContact O-C 3.54Å; C661-L681 WeakPolarHBondContact O-CA 3.34Å; C661-L681 PolarHBondContact O-N 2.77Å |
| 662 | N | 27.9 | Very low | 27.1 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 40% | 0.396 | 67% | 0.669 | S | S | . | * | | | cis | -169 | 178.7 | 27.7 | -150 | 24.8 | 0 | 0 | 0 | 118.4 | Q682 A683 | N662-Q682 VanDerWaalsContact CB-O 3.28Å; N662-Q682 WeakPolarHBondContact CB-O 3.29Å; N662-Q682 PolarHBondContact ND2-O 2.88Å; N662-A683 PolarHBondContact ND2-O 3.43Å |
| 663 | H | 29.7 | Very low | 27.2 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 65% | 0.653 | 67% | 0.668 | S | S | * | * | | | trans | -10.2 | 131 | 164.3 | -74.5 | -43.7 | 0 | 0 | 0 | 124.6 | Y684 | H663-Y684 PolarHBondContact NE2-O 2.99Š|
| 664 | N | 26.4 | Very low | 27.4 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | | | | 61.8 | 125.9 | 120.5 | -58.7 | -18.6 | 0 | 0 | 0 | 124.9 | | |
| 665 | L | 25.9 | Very low | 27.5 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | | | | 114.6 | 137.2 | 122.4 | -128.6 | 83.1 | 0 | 0 | 0 | 119.6 | | |
| 666 | H | 27.9 | Very low | 27.7 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 68% | 0.676 | 68% | 0.678 | S | S | * | * | | | trans | 76.2 | 89.2 | 152.5 | -111.6 | -111.8 | 0 | 0 | 0 | 121.9 | | |
| 667 | L | 26.5 | Very low | 27.7 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 68% | 0.681 | 68% | 0.682 | S | S | * | * | | | | 80.5 | 131.8 | 124.4 | -105.8 | 68.2 | 0 | 0 | 0 | 122.8 | | |
| 668 | L | 25.2 | Very low | 27.7 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | | | trans | 84.8 | 144.2 | 146.7 | -76.8 | 163.3 | 0 | 0 | 0 | 121 | | |
| 669 | L | 27.6 | Very low | 27.6 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | | | trans | 67.9 | 57.2 | 161.5 | -64.3 | 160.4 | 0 | 0 | 0 | 117.8 | | |
| 670 | S | 24.3 | Very low | 27.7 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 57% | 0.566 | 70% | 0.696 | S | S | * | * | | | | 32.4 | 130.3 | 116.8 | -51.4 | 0 | 0 | 0 | 0 | 120.9 | Y456 | Y456-S670 WeakPolarHBondContact OH-CB 3.38Å; Y456-S670 PolarHBondContact OH-O 2.79Å |
| 671 | S | 24.1 | Very low | 27.8 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 62% | 0.622 | 70% | 0.695 | S | S | * | * | | | trans | 69.6 | 106.4 | 164 | 81.4 | 0 | 0 | 0 | 0 | 117.9 | Y456 | Y456-S671 PolarHBondContact OH-OG 3.49Š|
| 672 | T | 29.5 | Very low | 28.1 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 88% | 0.877 | 70% | 0.7 | S | S | * | * | | | | -159.6 | 167.4 | 103.7 | 15.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 673 | N | 25.6 | Very low | 28.3 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | | | trans | -75.1 | 171.4 | 167.3 | -81.7 | -21.9 | 0 | 0 | 0 | 110.7 | | |
| 674 | E | 29.4 | Very low | 28.3 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | | | trans | 78.6 | 101.1 | 158.6 | -73 | 160.9 | -127.8 | 0 | 0 | 119.5 | | |
| 675 | C | 28.6 | Very low | 28.6 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | | | | 88.1 | 98 | 121.3 | -68.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 676 | K | 28.4 | Very low | 28.7 | Very low | 189 Ų | 189 | 124.9 Ų | 124.9 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | | | | 89.5 | 135.8 | 128.2 | -63.4 | 176.7 | 178 | 177.9 | 0 | 120.5 | | |
| 677 | S | 28.2 | Very low | 29 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | | | trans | 67.8 | 134.8 | 161.2 | 72 | 0 | 0 | 0 | 0 | 116 | | |
| 678 | C | 29.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 85% | 0.851 | 68% | 0.681 | S | S | * | * | | | cis | -132.4 | -174.1 | 14.4 | -77.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 679 | V | 28.6 | Very low | 29.4 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | | | trans | -124.2 | 139.1 | -178.7 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 680 | N | 31.2 | Very low | 29.2 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | | | trans | 169.9 | 148.8 | 138.3 | -98.6 | -25.2 | 0 | 0 | 0 | 117.6 | | |
| 681 | L | 33.4 | Very low | 29.4 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 49% | 0.487 | 70% | 0.701 | S | S | . | * | | | trans | 66.6 | 153 | 147.8 | -88.3 | 79.1 | 0 | 0 | 0 | 120.7 | I660 C661 | I660-L681 HydrophobicContact CD1-CD1 4.22Å; I660-L681 HydrophobicContact CG2-CB 4.38Å; I660-L681 HydrophobicContact CG2-CD1 3.93Å; I660-L681 HydrophobicContact CG2-CG 3.98Å; C661-L681 CarbonylContact O-C 3.54Å; C661-L681 WeakPolarHBondContact O-CA 3.34Å; C661-L681 PolarHBondContact O-N 2.77Å |
| 682 | Q | 32.9 | Very low | 29.6 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 50% | 0.495 | 72% | 0.715 | S | S | . | * | | | cis | -163.9 | 157.7 | -24.7 | -149.6 | 168.3 | 19 | 0 | 0 | 112.7 | I660 N662 | I660-Q682 HydrophobicContact CG1-CG 4.44Å; I660-Q682 HydrophobicContact CG2-CG 4.18Å; N662-Q682 VanDerWaalsContact CB-O 3.28Å; N662-Q682 WeakPolarHBondContact CB-O 3.29Å; N662-Q682 PolarHBondContact ND2-O 2.88Å |
| 683 | A | 31.3 | Very low | 29.4 | Very low | 58 Ų | 58 | 142 Ų | 142 | 48% | 0.479 | 71% | 0.714 | S | S | . | * | | | trans | 43.5 | 130.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | N662 | N662-A683 PolarHBondContact ND2-O 3.43Š|
| 684 | Y | 30.5 | Very low | 29.7 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 55% | 0.553 | 71% | 0.712 | S | S | * | * | | | cis | -157 | 179.5 | 11.7 | -150 | -144.6 | 0 | 0 | 0 | 108.1 | H663 | H663-Y684 PolarHBondContact NE2-O 2.99Š|
| 685 | E | 31.6 | Very low | 29.5 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 54% | 0.542 | 71% | 0.712 | S | S | . | * | | | cis | -122.3 | -151.2 | 6.9 | -164.4 | 161.1 | 119.7 | 0 | 0 | 107 | S687 | E685-S687 VanDerWaalsContact OE1-CB 3.27Å; E685-S687 WeakPolarHBondContact OE1-CB 3.32Å; E685-S687 PolarHBondContact OE1-OG 3.44Å |
| 686 | L | 29.2 | Very low | 29.7 | Very low | 123 Ų | 123 | 138 Ų | 138 | 64% | 0.644 | 72% | 0.716 | S | S | * | * | | | cis | 56.3 | 179.7 | 13.7 | -84.1 | 159.8 | 0 | 0 | 0 | 113.2 | Q688 | L686-Q688 HydrophobicContact CD2-CG 3.99Š|
| 687 | S | 32.7 | Very low | 29.7 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 57% | 0.573 | 72% | 0.716 | S | S | * | * | | | cis | -146.8 | 176.3 | -1.3 | 57.6 | 0 | 0 | 0 | 0 | 107.9 | E685 | E685-S687 VanDerWaalsContact OE1-CB 3.27Å; E685-S687 WeakPolarHBondContact OE1-CB 3.32Å; E685-S687 PolarHBondContact OE1-OG 3.44Å |
| 688 | Q | 31.4 | Very low | 29.8 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | | | cis | -162.4 | 162.7 | -39.7 | -99.2 | -169.2 | -6 | 0 | 0 | 106.5 | L686 | L686-Q688 HydrophobicContact CD2-CG 3.99Š|
| 689 | D | 29.4 | Very low | 29.7 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | | | cis | -167.3 | -178.1 | -29 | -138.3 | -45.7 | 0 | 0 | 0 | 107.2 | | |
| 690 | R | 24.6 | Very low | 29.9 | Very low | 220 Ų | 220 | 133.7 Ų | 133.7 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | | | trans | -100.6 | 138.1 | 162.8 | -52.5 | 177.6 | -160.2 | 165 | 7.1 | 109.3 | | |
| 691 | Y | 27 | Very low | 29.8 | Very low | 229 Ų | 229 | 132.1 Ų | 132.1 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | | | trans | 167 | 115.1 | 134.1 | -99 | -67.3 | 0 | 0 | 0 | 112.7 | | |
| 692 | R | 29.3 | Very low | 29.7 | Very low | 246 Ų | 246 | 131.2 Ų | 131.2 | 93% | 0.928 | 71% | 0.711 | S | S | * | * | | | trans | 164.7 | 127 | 130.2 | -91.6 | 171.8 | -178.2 | -159.1 | 0.1 | 112.1 | | |
| 693 | N | 24 | Very low | 29.7 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | | | trans | -84.2 | 167.8 | 158.6 | -89.1 | -19.7 | 0 | 0 | 0 | 108.6 | | |
| 694 | P | 31.9 | Very low | 30.4 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | | | cis | -150.7 | 178.9 | 38.5 | 43.3 | -22.6 | 0 | 0 | 0 | 119.7 | | |
| 695 | S | 25.1 | Very low | 30.4 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | | | trans | 71.3 | 152.2 | 163.9 | 79.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 696 | S | 33.1 | Very low | 30.3 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | | | cis | -157.7 | 146.3 | 18.5 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 697 | G | 29.4 | Very low | 30.4 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | | | trans | 58.6 | 172.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 698 | S | 29.5 | Very low | 30.3 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | | | cis | -161.3 | 165.4 | -30.5 | -166.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 699 | T | 27.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | trans | -104 | 165.1 | -179.9 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 700 | V | 32.3 | Very low | 30.8 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | | | trans | 172.8 | 150.8 | 140.4 | 143 | 0 | 0 | 0 | 0 | 116.3 | | |
| 701 | S | 28.6 | Very low | 31.1 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | trans | 82.9 | 172 | 167.2 | 82.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 702 | Q | 33 | Very low | 31.4 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 34% | 0.341 | 72% | 0.724 | S | S | . | * | | | cis | -151.5 | -170.4 | 8.6 | -143.5 | -170.8 | 116.5 | 0 | 0 | 112.1 | S190 N191 | S190-Q702 PolarHBondContact O-NE2 2.93Å; S190-Q702 PolarHBondContact O-OE1 2.9Å; S190-Q702 WeakPolarHBondContact OG-CB 3.29Å; S190-Q702 WeakPolarHBondContact OG-CG 3.41Å; S190-Q702 PolarHBondContact OG-OE1 2.88Å; N191-Q702 PolarHBondContact OD1-NE2 3.49Å |
| 703 | I | 32.4 | Very low | 31.6 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 54% | 0.538 | 72% | 0.718 | S | S | . | * | | | trans | -148.3 | 133.5 | -176.5 | -49.1 | -177.8 | 0 | 0 | 0 | 114.3 | K188 S190 | K188-I703 HydrophobicContact CD-CG2 4.41Å; S190-I703 WeakPolarHBondContact CB-O 3.3Å; S190-I703 VanDerWaalsContact OG-C 3.23Å; S190-I703 PolarHBondContact OG-N 2.91Å; S190-I703 PolarHBondContact OG-O 3.43Å |
| 704 | P | 45.7 | Very low | 31.7 | Very low | 72 Ų | 72 | 123.4 Ų | 123.4 | 47% | 0.468 | 72% | 0.716 | S | S | . | * | | | trans | -110 | 176.6 | -170.3 | 40.1 | -37.8 | 0 | 0 | 0 | 119.3 | H189 | H189-P704 WeakPolarHBondContact O-CB 3.38Å; H189-P704 WeakPolarHBondContact O-CG 3.23Å |
| 705 | R | 30.7 | Very low | 32.1 | Very low | 200 Ų | 200 | 123.2 Ų | 123.2 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | trans | -156.3 | 152.2 | 152.4 | -120.7 | -178.2 | 171.8 | 130.5 | 1.6 | 108.7 | D707 | R705-D707 IonicContact NE-OD2 3.99Š|
| 706 | S | 28.4 | Very low | 32.4 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | | | cis | 81.4 | 146.4 | 11.6 | 82 | 0 | 0 | 0 | 0 | 116.6 | | |
| 707 | D | 32.5 | Very low | 32 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | | | cis | -141.8 | -77.6 | 30.7 | -72.4 | -85.8 | 0 | 0 | 0 | 120.7 | R705 | R705-D707 IonicContact NE-OD2 3.99Š|
| 708 | L | 30.8 | Very low | 32.3 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | | | trans | -141.2 | 175.1 | -151.3 | -108.3 | 75.2 | 0 | 0 | 0 | 115.3 | | |
| 709 | P | 40.5 | Very low | 32.3 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | | | cis | -140.5 | -170.2 | -23.9 | 41.7 | -22.1 | 0 | 0 | 0 | 116.7 | | |
| 710 | D | 31.4 | Very low | 32.4 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | | | trans | 86.7 | 119.5 | 144.5 | -73.7 | -13.4 | 0 | 0 | 0 | 126.6 | | |
| 711 | V | 30.9 | Very low | 32.5 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | | | trans | 35.3 | 113.6 | 144.9 | -153.6 | 0 | 0 | 0 | 0 | 121 | | |
| 712 | Y | 32.4 | Very low | 32.9 | Very low | 205 Ų | 205 | 123.4 Ų | 123.4 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | | | | -176.9 | 144.5 | 109 | -112.9 | -99 | 0 | 0 | 0 | 113.2 | | |
| 713 | L | 33.9 | Very low | 32.8 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 80% | 0.801 | 68% | 0.678 | S | S | * | * | | | trans | 21.9 | 136.1 | 163.4 | -64 | 173.1 | 0 | 0 | 0 | 124.2 | | |
| 714 | N | 26.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 121.2 Ų | 121.2 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | | | trans | -70.1 | 170.2 | 154.4 | -55.7 | -74.6 | 0 | 0 | 0 | 112 | | |
| 715 | P | 39.1 | Very low | 32.3 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | | | cis | -121.7 | -164.3 | -26.5 | 34.1 | -14.5 | 0 | 0 | 0 | 110.9 | | |
| 716 | P | 32.1 | Very low | 32.7 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 83% | 0.831 | 67% | 0.674 | S | S | * | * | | | | -141.1 | 136.4 | 96.3 | 36.2 | -22.7 | 0 | 0 | 0 | 115.2 | | |
| 717 | S | 24.1 | Very low | 32.7 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | | | trans | -83.1 | 138.7 | 154.1 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 718 | M | 35.3 | Very low | 32.9 | Very low | 170 Ų | 170 | 124.5 Ų | 124.5 | 84% | 0.837 | 69% | 0.687 | S | S | * | * | | | trans | -175.2 | 97.8 | 147.7 | -89.9 | -63.4 | -76.8 | 0 | 0 | 105.2 | | |
| 719 | S | 29.5 | Very low | 33.1 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | | | | 70.5 | 115.9 | 63.4 | 80.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 720 | T | 30.3 | Very low | 32.8 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | | | trans | 60.3 | 129.4 | 143.1 | 58.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 721 | L | 35.3 | Very low | 33.1 | Very low | 86 Ų | 86 | 120 Ų | 120 | 45% | 0.45 | 66% | 0.657 | S | S | . | * | | | | -157.8 | 138.3 | 94.2 | -81.6 | 153.4 | 0 | 0 | 0 | 106.2 | G730 R731 S732 R733 | L721-G730 WeakPolarHBondContact CD1-O 3.44Å; L721-G730 WeakPolarHBondContact CD2-O 3.43Å; L721-R731 CarbonylContact C-O 3.35Å; L721-R731 WeakPolarHBondContact CB-O 3.46Å; L721-S732 CarbonylContact O-C 2.99Å; L721-S732 VanDerWaalsContact O-C 3.28Å; L721-R733 PolarHBondContact O-N 3.19Å |
| 722 | Q | 36.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | | | cis | 85.1 | 98.3 | 32.2 | -156.8 | -159 | 59.3 | 0 | 0 | 113.1 | Q724 R731 S732 | Q722-Q724 HydrophobicContact CG-CG 3.99Å; Q722-Q724 VanDerWaalsContact O-CD 3.22Å; Q722-Q724 WeakPolarHBondContact O-CG 3.4Å; Q722-Q724 PolarHBondContact O-NE2 2.86Å; Q722-R731 CarbonylContact O-C 3.45Å; Q722-R731 WeakPolarHBondContact O-CA 3.49Å; Q722-R731 PolarHBondContact O-N 3.25Å; Q722-S732 VanDerWaalsContact C-N 3.33Å; Q722-S732 PolarHBondContact O-N 3.39Å |
| 723 | S | 31.4 | Very low | 33.1 | Very low | 76 Ų | 76 | 115.8 Ų | 115.8 | 53% | 0.531 | 63% | 0.634 | S | S | . | * | | | trans | -122.6 | 115.6 | 153 | -156.5 | 0 | 0 | 0 | 0 | 106.3 | | |
| 724 | Q | 37.6 | Very low | 32.9 | Very low | 57 Ų | 57 | 116.8 Ų | 116.8 | 27% | 0.266 | 64% | 0.637 | S | S | . | * | | | cis | 67.8 | 145.9 | 41.2 | -46.1 | 170.6 | 8.4 | 0 | 0 | 111.9 | Q722 C729 G730 | Q722-Q724 HydrophobicContact CG-CG 3.99Å; Q722-Q724 VanDerWaalsContact O-CD 3.22Å; Q722-Q724 WeakPolarHBondContact O-CG 3.4Å; Q722-Q724 PolarHBondContact O-NE2 2.86Å; Q724-C729 PolarHBondContact NE2-O 3.14Å; Q724-C729 PolarHBondContact OE1-O 3.03Å; Q724-C729 VanDerWaalsContact OE1-O 3.09Å; Q724-G730 VanDerWaalsContact NE2-C 3.29Å; Q724-G730 PolarHBondContact NE2-O 3.09Å; Q724-G730 VanDerWaalsContact OE1-N 3.07Å |
| 725 | R | 30.1 | Very low | 32.9 | Very low | 207 Ų | 207 | 116.7 Ų | 116.7 | 78% | 0.781 | 63% | 0.632 | S | S | * | * | | | cis | -136.5 | 161.4 | 33 | -78.1 | 178 | 175.5 | -175.2 | -1.5 | 112.1 | | |
| 726 | S | 38 | Very low | 32.1 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | S | Bend | cis | -170.8 | 151.2 | -11.1 | 48.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 727 | S | 29.8 | Very low | 31.8 | Very low | 118 Ų | 118 | 121 Ų | 121 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | S | Bend | | -113.1 | 135.5 | 55.9 | 41 | 0 | 0 | 0 | 0 | 114.6 | | |
| 728 | L | 35.2 | Very low | 31.8 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 72% | 0.723 | 65% | 0.645 | S | S | * | * | S | Bend | cis | -154.6 | 146.5 | -3.1 | -147.8 | 78.2 | 0 | 0 | 0 | 112 | | |
| 729 | C | 35.3 | Very low | 31.4 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | | | trans | 73.9 | 133.9 | 163.5 | -69.1 | 0 | 0 | 0 | 0 | 122.5 | Q724 | Q724-C729 PolarHBondContact NE2-O 3.14Å; Q724-C729 PolarHBondContact OE1-O 3.03Å; Q724-C729 VanDerWaalsContact OE1-O 3.09Å |
| 730 | G | 35.4 | Very low | 31.2 | Very low | 30 Ų | 30 | 125.5 Ų | 125.5 | 31% | 0.309 | 64% | 0.643 | S | S | . | * | | | trans | -46.9 | 167.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | L721 Q724 | L721-G730 WeakPolarHBondContact CD1-O 3.44Å; L721-G730 WeakPolarHBondContact CD2-O 3.43Å; Q724-G730 VanDerWaalsContact NE2-C 3.29Å; Q724-G730 PolarHBondContact NE2-O 3.09Å; Q724-G730 VanDerWaalsContact OE1-N 3.07Å |
| 731 | R | 37.3 | Very low | 31.3 | Very low | 184 Ų | 184 | 126.1 Ų | 126.1 | 69% | 0.694 | 64% | 0.642 | S | S | * | * | | | cis | -165.8 | 143.7 | -3.3 | -165.9 | -154.6 | 135.3 | 173 | -5.5 | 113 | L721 Q722 | L721-R731 CarbonylContact C-O 3.35Å; L721-R731 WeakPolarHBondContact CB-O 3.46Å; Q722-R731 CarbonylContact O-C 3.45Å; Q722-R731 WeakPolarHBondContact O-CA 3.49Å; Q722-R731 PolarHBondContact O-N 3.25Å |
| 732 | S | 33.7 | Very low | 30.9 | Very low | 41 Ų | 41 | 128.3 Ų | 128.3 | 29% | 0.287 | 65% | 0.65 | S | S | . | * | | | trans | 1.1 | 130.7 | 163.5 | 63.8 | 0 | 0 | 0 | 0 | 121.4 | L721 Q722 | L721-S732 CarbonylContact O-C 2.99Å; L721-S732 VanDerWaalsContact O-C 3.28Å; Q722-S732 VanDerWaalsContact C-N 3.33Å; Q722-S732 PolarHBondContact O-N 3.39Å |
| 733 | R | 28.6 | Very low | 30.6 | Very low | 190 Ų | 190 | 124.7 Ų | 124.7 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | | | | 59.7 | 120.8 | 75.7 | -173.8 | -173.1 | -173.7 | -179.7 | 3.6 | 116.4 | L721 | L721-R733 PolarHBondContact O-N 3.19Š|
| 734 | M | 29.6 | Very low | 30.5 | Very low | 174 Ų | 174 | 121.7 Ų | 121.7 | 86% | 0.857 | 61% | 0.612 | S | S | * | * | | | trans | -165.1 | 158.6 | 132.9 | -148 | 58.6 | 173.9 | 0 | 0 | 112.2 | | |
| 735 | E | 26.3 | Very low | 30.1 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | | | trans | -100.9 | 172.5 | 173 | -72 | 153.6 | 105.5 | 0 | 0 | 111.3 | L737 | E735-L737 PolarHBondContact O-N 2.85Š|
| 736 | L | 23.7 | Very low | 30 | Very low | 174 Ų | 174 | 119.6 Ų | 119.6 | 91% | 0.911 | 61% | 0.614 | S | S | * | * | | | trans | -68 | 120.9 | 173.9 | -115.4 | 78.5 | 0 | 0 | 0 | 111.3 | | |
| 737 | L | 24.6 | Very low | 29.6 | Very low | 151 Ų | 151 | 122.2 Ų | 122.2 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | | | trans | -150.7 | 134.1 | 155.7 | -83.3 | -176.6 | 0 | 0 | 0 | 110 | E735 | E735-L737 PolarHBondContact O-N 2.85Š|
| 738 | Y | 25 | Very low | 29.5 | Very low | 202 Ų | 202 | 123.5 Ų | 123.5 | 79% | 0.792 | 61% | 0.612 | S | S | * | * | | | trans | 62.8 | 112 | 160.2 | -79.9 | -109.1 | 0 | 0 | 0 | 116.9 | | |
| 739 | V | 26.7 | Very low | 29.6 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 62% | 0.624 | 59% | 0.589 | S | S | * | * | | | | 91 | 119.1 | 70.9 | 156 | 0 | 0 | 0 | 0 | 110.7 | | |
| 740 | D | 25.5 | Very low | 29.2 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | | | trans | 44.2 | 133.5 | 146.3 | -49.6 | -7.3 | 0 | 0 | 0 | 118.5 | | |
| 741 | N | 30.9 | Very low | 28.8 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 70% | 0.695 | 61% | 0.613 | S | S | * | * | | | cis | -151.7 | 148.5 | 26.7 | -109.5 | -24.8 | 0 | 0 | 0 | 109.4 | | |
| 742 | E | 27.1 | Very low | 28.4 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 61% | 0.612 | 62% | 0.623 | S | S | * | * | | | | 57.8 | 138.3 | 105.6 | -71.7 | -134.6 | 122.4 | 0 | 0 | 115.1 | F323 F324 | F323-E742 CarbonylContact C-O 3.22Å; F323-E742 CarbonylContact O-C 3.59Å; F323-E742 VanDerWaalsContact O-O 3.08Å; F324-E742 PolarHBondContact N-O 3.43Å |
| 743 | L | 31.4 | Very low | 28.2 | Very low | 46 Ų | 46 | 133.3 Ų | 133.3 | 24% | 0.241 | 65% | 0.65 | C | S | . | * | | | cis | 178.1 | -138.8 | 16.4 | 176.5 | 53.7 | 0 | 0 | 0 | 109.8 | Q320 P321 F323 F324 N325 | Q320-L743 VanDerWaalsContact OE1-CD1 3.25Å; P321-L743 VanDerWaalsContact C-CD2 3.43Å; P321-L743 WeakPolarHBondContact O-CD2 3.38Å; F323-L743 PolarHBondContact O-N 2.91Å; F324-L743 CarbonylContact C-O 3.4Å; F324-L743 VanDerWaalsContact CA-O 3.3Å; F324-L743 WeakPolarHBondContact CA-O 3.31Å; F324-L743 PolarHBondContact O-N 3.06Å; N325-L743 PolarHBondContact N-O 2.66Å |
| 744 | D | 28.4 | Very low | 28.1 | Very low | 12 Ų | 12 | 129.1 Ų | 129.1 | 6% | 0.064 | 65% | 0.65 | C | S | . | * | | | trans | -29.4 | 162.7 | -177.6 | -82.3 | -20.9 | 0 | 0 | 0 | 121 | Q320 P321 I322 F323 F324 N325 | Q320-D744 WeakPolarHBondContact CG-OD1 3.3Å; Q320-D744 PolarHBondContact NE2-OD1 3.28Å; Q320-D744 PolarHBondContact OE1-OD1 3.2Å; Q320-D744 VanDerWaalsContact OE1-OD1 3.07Å; P321-D744 WeakPolarHBondContact CA-OD2 3.36Å; P321-D744 WeakPolarHBondContact CB-OD2 3.46Å; I322-D744 PolarHBondContact N-OD2 3.28Å; F323-D744 WeakPolarHBondContact CA-O 3.47Å; F323-D744 HydrophobicContact CD1-CB 3.76Å; F323-D744 WeakPolarHBondContact CD1-O 3.24Å; F323-D744 HydrophobicContact CD2-CB 4.24Å; F323-D744 HydrophobicContact CE1-CB 3.84Å; F323-D744 HydrophobicContact CE2-CB 4.27Å; F323-D744 HydrophobicContact CG-CB 3.98Å; F323-D744 HydrophobicContact CZ-CB 4.08Å; F323-D744 VanDerWaalsContact N-N 3.16Å; F324-D744 VanDerWaalsContact CA-O 3.28Å; F324-D744 WeakPolarHBondContact CA-O 3.36Å; N325-D744 VanDerWaalsContact CA-O 3.27Å; N325-D744 WeakPolarHBondContact CA-O 3.3Å; N325-D744 CarbonylContact O-C 3.28Å; N325-D744 VanDerWaalsContact O-C 3.22Å |
| 745 | R | 30.4 | Very low | 28.2 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 44% | 0.438 | 64% | 0.644 | S | S | . | * | | | cis | -154.3 | 156.4 | 6.8 | -134.1 | 171.5 | -96.1 | 175.1 | -4 | 113 | F323 N325 | F323-R745 HydrophobicContact CE1-CB 3.73Å; F323-R745 HydrophobicContact CZ-CB 4.1Å; N325-R745 PolarHBondContact O-N 2.79Å |
| 746 | T | 27.5 | Very low | 28.4 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 64% | 0.644 | 65% | 0.65 | S | S | * | * | | | trans | -11.8 | 129.3 | 154.1 | 59.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 747 | N | 30.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 121.9 Ų | 121.9 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | | | | -178 | -179.7 | 95.3 | -105.3 | -26.4 | 0 | 0 | 0 | 115.4 | | |
| 748 | K | 27.6 | Very low | 28.9 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 64% | 0.635 | 64% | 0.641 | S | S | * | * | | | trans | -112.2 | -172.8 | -168 | -97.3 | -174.6 | 150.2 | -138.8 | 0 | 110 | T330 N331 | T330-K748 WeakPolarHBondContact O-CE 3.3Å; T330-K748 PolarHBondContact O-NZ 3.15Å; N331-K748 WeakPolarHBondContact OD1-CD 3.34Å; N331-K748 PolarHBondContact OD1-NZ 3.18Å |
| 749 | P | 35.5 | Very low | 29.2 | Very low | 39 Ų | 39 | 118.9 Ų | 118.9 | 25% | 0.253 | 64% | 0.637 | S | S | . | * | | | | -117.4 | -101.2 | -84.8 | -13.1 | 40.8 | 0 | 0 | 0 | 122.2 | I329 T330 N331 | I329-P749 WeakPolarHBondContact CD1-O 3.1Å; I329-P749 HydrophobicContact CG1-CB 3.82Å; T330-P749 VanDerWaalsContact C-CB 3.47Å; T330-P749 VanDerWaalsContact O-CG 3.24Å; T330-P749 WeakPolarHBondContact O-CG 3.41Å; N331-P749 HydrophobicContact CB-CB 3.9Å; N331-P749 HydrophobicContact CB-CG 3.28Å; N331-P749 VanDerWaalsContact CG-CD 3.41Å; N331-P749 VanDerWaalsContact ND2-CD 3.3Å; N331-P749 WeakPolarHBondContact ND2-CD 3.34Å |
| 750 | R | 27.9 | Very low | 29.4 | Very low | 155 Ų | 155 | 119 Ų | 119 | 59% | 0.585 | 64% | 0.642 | S | S | * | * | | | | -138.3 | 96.4 | -116.5 | -172.8 | -164.2 | -140.6 | -172.3 | 6.5 | 114.8 | I329 | I329-R750 HydrophobicContact CD1-CB 4.25Å; I329-R750 HydrophobicContact CD1-CG 4.45Å; I329-R750 HydrophobicContact CG1-CB 4.19Å |
| 751 | C | 26.8 | Very low | 29.8 | Very low | 122 Ų | 122 | 116.2 Ų | 116.2 | 82% | 0.824 | 63% | 0.634 | S | S | * | * | | | trans | -112.3 | 137.2 | 160.4 | -67.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 752 | K | 28.9 | Very low | 29.9 | Very low | 208 Ų | 208 | 113.7 Ų | 113.7 | 90% | 0.904 | 63% | 0.626 | S | S | * | * | | | trans | -81.5 | 131.4 | 154.7 | -70.4 | 178.8 | 178.2 | 177.9 | 0 | 107.1 | | |
| 753 | L | 29.8 | Very low | 30.1 | Very low | 165 Ų | 165 | 112.6 Ų | 112.6 | 86% | 0.864 | 63% | 0.625 | S | S | * | * | | | trans | -145.9 | 112.9 | 156.5 | -110.3 | 167.3 | 0 | 0 | 0 | 108.4 | | |
| 754 | S | 25.8 | Very low | 31 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | | | trans | -98.4 | 136.2 | 165.8 | 50.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 755 | T | 32.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | | | trans | -166.5 | 118.2 | 137.8 | 18.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 756 | N | 29.1 | Very low | 32 | Very low | 156 Ų | 156 | 122.2 Ų | 122.2 | 83% | 0.834 | 69% | 0.689 | S | S | * | * | | | | 41.4 | 131.7 | 125.2 | -50.8 | 0.2 | 0 | 0 | 0 | 120.9 | | |
| 757 | G | 27.1 | Very low | 32.3 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | | | trans | 108.9 | 150.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 758 | I | 32 | Very low | 32.2 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 77% | 0.774 | 70% | 0.696 | S | S | * | * | | | cis | -150.9 | 137 | 14.3 | -106.9 | 154.6 | 0 | 0 | 0 | 111.1 | | |
| 759 | I | 31.8 | Very low | 32.5 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | | | trans | 30.9 | 128.6 | 138.7 | -34.4 | 166 | 0 | 0 | 0 | 117.1 | | |
| 760 | S | 31.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | | 170.8 | 154 | 97.3 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 761 | S | 33.7 | Very low | 32.5 | Very low | 79 Ų | 79 | 125 Ų | 125 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | | | cis | 177.7 | 161.2 | -9.3 | 49.5 | 0 | 0 | 0 | 0 | 110.6 | G765 | S761-G765 CarbonylContact C-O 3.29Š|
| 762 | S | 33.7 | Very low | 32.8 | Very low | 76 Ų | 76 | 126 Ų | 126 | 53% | 0.531 | 72% | 0.723 | S | S | . | * | | | cis | -171.5 | 113.4 | -42.6 | 48.4 | 0 | 0 | 0 | 0 | 106.6 | L764 G765 | S762-L764 CarbonylContact C-O 3.21Å; S762-L764 VanDerWaalsContact C-O 3.29Å; S762-L764 PolarHBondContact N-O 2.8Å; S762-L764 CarbonylContact O-C 3.55Å; S762-L764 PolarHBondContact O-N 3.15Å; S762-G765 VanDerWaalsContact CA-O 3.29Å; S762-G765 WeakPolarHBondContact CA-O 3.43Å; S762-G765 PolarHBondContact N-O 2.9Å |
| 763 | N | 30.8 | Very low | 33 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -43.4 | 110.7 | -141.5 | -145.8 | 6.7 | 0 | 0 | 0 | 116.4 | G765 E766 N767 | N763-G765 PolarHBondContact OD1-N 3.17Å; N763-E766 WeakPolarHBondContact CB-O 3.44Å; N763-E766 PolarHBondContact N-O 2.97Å; N763-E766 PolarHBondContact OD1-N 3.2Å; N763-N767 PolarHBondContact ND2-OD1 2.86Å |
| 764 | L | 49.2 | Very low | 33 | Very low | 167 Ų | 167 | 119.1 Ų | 119.1 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | S | Bend | cis | -41.9 | 111.5 | 4.5 | -77.4 | 52.7 | 0 | 0 | 0 | 115.2 | S762 | S762-L764 CarbonylContact C-O 3.21Å; S762-L764 VanDerWaalsContact C-O 3.29Å; S762-L764 PolarHBondContact N-O 2.8Å; S762-L764 CarbonylContact O-C 3.55Å; S762-L764 PolarHBondContact O-N 3.15Å |
| 765 | G | 43.8 | Very low | 33.1 | Very low | 43 Ų | 43 | 121 Ų | 121 | 44% | 0.443 | 71% | 0.707 | S | S | . | * | S | Bend | trans | 98.4 | 55.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S761 S762 N763 | S761-G765 CarbonylContact C-O 3.29Å; S762-G765 VanDerWaalsContact CA-O 3.29Å; S762-G765 WeakPolarHBondContact CA-O 3.43Å; S762-G765 PolarHBondContact N-O 2.9Å; N763-G765 PolarHBondContact OD1-N 3.17Å |
| 766 | E | 37.7 | Very low | 33 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 70.9 | 147.9 | 167.7 | -53.2 | -174.6 | 169.5 | 0 | 0 | 117.5 | N763 | N763-E766 WeakPolarHBondContact CB-O 3.44Å; N763-E766 PolarHBondContact N-O 2.97Å; N763-E766 PolarHBondContact OD1-N 3.2Å |
| 767 | N | 32.5 | Very low | 32.7 | Very low | 138 Ų | 138 | 120 Ų | 120 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | | | trans | -84.2 | 144.2 | -160.5 | -65.4 | -38.5 | 0 | 0 | 0 | 114.5 | N763 | N763-N767 PolarHBondContact ND2-OD1 2.86Š|
| 768 | L | 28.6 | Very low | 32.7 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | | | trans | -149.8 | 125.9 | 174.5 | -119.3 | 171.8 | 0 | 0 | 0 | 111 | | |
| 769 | S | 33.7 | Very low | 32.5 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | | | trans | 170.9 | 147.1 | 162.3 | 22.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 770 | D | 31.9 | Very low | 32.2 | Very low | 140 Ų | 140 | 116.9 Ų | 116.9 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | | | cis | -165.6 | 166.2 | -19.9 | -119.9 | -32.6 | 0 | 0 | 0 | 112.8 | | |
| 771 | V | 31.8 | Very low | 32 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 66% | 0.661 | 65% | 0.654 | S | S | * | * | | | trans | 67.6 | 105.1 | 138.7 | 166.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 772 | I | 32.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 117.6 Ų | 117.6 | 73% | 0.728 | 65% | 0.65 | S | S | * | * | | | | 90.5 | 138.9 | 122.3 | -71 | -173.2 | 0 | 0 | 0 | 123.9 | | |
| 773 | D | 34.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | | | trans | 57.4 | 111.1 | 157.1 | -76.9 | -33 | 0 | 0 | 0 | 126 | | |
| 774 | S | 28.9 | Very low | 31.1 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | | | | 55.9 | 101 | 101 | -48.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 775 | D | 27.6 | Very low | 30 | Very low | 141 Ų | 141 | 117 Ų | 117 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | | | | 78.1 | 155 | 127.1 | -109.8 | -47.8 | 0 | 0 | 0 | 123.9 | | |
| 776 | H | 30.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 120.1 Ų | 120.1 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | | | trans | 67.7 | 82.5 | 158.7 | -60.7 | -2.4 | 0 | 0 | 0 | 121.5 | | |
| 777 | C | 24.5 | Very low | 29 | Very low | 98 Ų | 98 | 115.2 Ų | 115.2 | 66% | 0.662 | 68% | 0.68 | S | S | * | * | | | | 56.9 | 144.6 | 118.5 | -61.7 | 0 | 0 | 0 | 0 | 124.7 | | |
| 778 | F | 26.6 | Very low | 28.8 | Very low | 162 Ų | 162 | 116.2 Ų | 116.2 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | | | trans | 65.1 | 173.4 | 165.7 | -56.7 | -70.2 | 0 | 0 | 0 | 118 | R362 | R362-F778 VanDerWaalsContact NE-C 3.32Å; R362-F778 PolarHBondContact NE-O 2.7Å; R362-F778 PolarHBondContact NH2-O 3.03Å |
| 779 | S | 26.7 | Very low | 28.6 | Very low | 46 Ų | 46 | 115 Ų | 115 | 32% | 0.322 | 68% | 0.68 | S | S | . | * | | | trans | 66.3 | 136.3 | 176.5 | -53.5 | 0 | 0 | 0 | 0 | 119.1 | R362 K363 | R362-S779 VanDerWaalsContact CD-O 3.23Å; R362-S779 WeakPolarHBondContact CD-O 3.47Å; R362-S779 WeakPolarHBondContact CG-O 3.49Å; R362-S779 VanDerWaalsContact CZ-O 3.3Å; R362-S779 PolarHBondContact NE-O 3.49Å; R362-S779 PolarHBondContact NH2-O 3.37Å; R362-S779 PolarHBondContact O-N 3.37Å; K363-S779 VanDerWaalsContact CE-OG 3.24Å; K363-S779 WeakPolarHBondContact CE-OG 3.34Å; K363-S779 PolarHBondContact NZ-OG 2.87Å |
| 780 | V | 27.2 | Very low | 28.2 | Very low | 89 Ų | 89 | 121 Ų | 121 | 54% | 0.539 | 69% | 0.686 | S | S | . | * | | | cis | -126.4 | -111.7 | -5.6 | -164.2 | 0 | 0 | 0 | 0 | 112.1 | R362 K363 | R362-V780 CarbonylContact C-O 3.58Å; K363-V780 HydrophobicContact CD-CG1 4.42Å; K363-V780 PolarHBondContact N-O 2.9Å |
| 781 | Q | 25.7 | Very low | 27.9 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 46% | 0.458 | 68% | 0.681 | S | S | . | * | | | trans | -153.3 | 174.9 | -164.1 | -155.2 | 142.3 | 16.9 | 0 | 0 | 117 | Y361 | Y361-Q781 VanDerWaalsContact CD1-CA 3.41Å; Y361-Q781 WeakPolarHBondContact CE1-O 3.45Å |
| 782 | H | 25.1 | Very low | 27.6 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 46% | 0.463 | 69% | 0.688 | S | S | . | * | | | trans | -29.3 | 136.3 | 174.7 | -56.3 | -43.4 | 0 | 0 | 0 | 119.6 | Y361 | Y361-H782 AromaticContact CD2-CE1 3.89Å; Y361-H782 AromaticContact CD2-ND1 3.36Å; Y361-H782 WeakPolarHBondContact CD2-ND1 3.39Å |
| 783 | T | 26 | Very low | 27.3 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | | | | 82.5 | 161.5 | 108.5 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 784 | N | 29.1 | Very low | 26.9 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | | | cis | -132.3 | 162.2 | 26.4 | -54.8 | -60 | 0 | 0 | 0 | 111.9 | | |
| 785 | G | 25.9 | Very low | 27 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | | | | 111.9 | 162.4 | 86.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 786 | A | 30.5 | Very low | 27 | Very low | 109 Ų | 109 | 123 Ų | 123 | 90% | 0.901 | 69% | 0.691 | S | S | * | * | | | cis | -109.9 | -161.1 | -4.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 787 | G | 28.8 | Very low | 26.9 | Very low | 65 Ų | 65 | 121.2 Ų | 121.2 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | | | cis | 131.6 | 108.1 | 13.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 788 | D | 28.1 | Very low | 27 | Very low | 158 Ų | 158 | 123.3 Ų | 123.3 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | | | trans | 33.2 | 106.6 | 152.7 | -57.4 | -20.1 | 0 | 0 | 0 | 120.9 | | |
| 789 | N | 25.3 | Very low | 27 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | | 68.4 | 118.6 | 117 | -123.5 | 9.3 | 0 | 0 | 0 | 119.7 | | |
| 790 | W | 25.3 | Very low | 27 | Very low | 232 Ų | 232 | 127.6 Ų | 127.6 | 88% | 0.879 | 72% | 0.718 | S | S | * | * | | | trans | 69.9 | 148.8 | 171.6 | -45.2 | 94.3 | 0 | 0 | 0 | 114.4 | | |
| 791 | S | 24.9 | Very low | 26.8 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | | | cis | -160.6 | 155.9 | -0.3 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 792 | L | 27.4 | Very low | 26.9 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | | | trans | 65.3 | 144.4 | 159.4 | -89.1 | 78.1 | 0 | 0 | 0 | 115.4 | | |
| 793 | V | 24 | Very low | 26.9 | Very low | 111 Ų | 111 | 135 Ų | 135 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | | | cis | 71.2 | 118.6 | 37 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 794 | D | 26.4 | Very low | 27.2 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | cis | -124 | -159.2 | 21.2 | -98.8 | -54.1 | 0 | 0 | 0 | 110.1 | | |
| 795 | E | 30.6 | Very low | 27.2 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | cis | -148.1 | 140.2 | 20.9 | -75.9 | -172.1 | 121 | 0 | 0 | 113.5 | | |
| 796 | L | 27.7 | Very low | 27.4 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | 53.2 | 166.2 | 130.8 | -59.5 | 160 | 0 | 0 | 0 | 118.2 | | |
| 797 | V | 28.7 | Very low | 27.2 | Very low | 118 Ų | 118 | 141 Ų | 141 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | | | cis | -157 | 127.6 | 39.9 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 798 | I | 27.8 | Very low | 27.3 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | | | trans | 70.4 | 137.3 | 152.3 | -74.7 | 170.7 | 0 | 0 | 0 | 119.6 | | |
| 799 | F | 25.7 | Very low | 27.2 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | cis | -172 | -168.5 | -19.5 | -125.3 | -149.9 | 0 | 0 | 0 | 110.1 | | |
| 800 | P | 27.1 | Very low | 27.5 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | -91.5 | -173.8 | -163.5 | 38.2 | -38.8 | 0 | 0 | 0 | 117.7 | | |
| 801 | Q | 23.4 | Very low | 27.7 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -51.8 | 161.3 | -177.2 | -64.8 | -179.7 | -23.6 | 0 | 0 | 116.5 | | |
| 802 | P | 27.8 | Very low | 28 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | | -126.4 | 172.2 | 106.7 | 38 | -34.7 | 0 | 0 | 0 | 114.5 | | |
| 803 | Q | 24.1 | Very low | 27.9 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -109.7 | 135.3 | 176 | -58.5 | 174.1 | 9.3 | 0 | 0 | 110.9 | | |
| 804 | T | 31.8 | Very low | 28.3 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | trans | -150.4 | 117.5 | 165.2 | 14.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 805 | L | 29.2 | Very low | 28.4 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | 24.7 | 116.6 | 142.7 | -65.9 | 162.2 | 0 | 0 | 0 | 119.7 | | |
| 806 | G | 29.9 | Very low | 28.3 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -170.7 | 103.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 807 | F | 27.4 | Very low | 28.5 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | | | trans | -53.5 | 151.1 | 172.9 | -67.3 | -101.8 | 0 | 0 | 0 | 112.2 | | |
| 808 | V | 29.9 | Very low | 28.5 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | cis | -142.2 | 160.5 | 21.7 | -175 | 0 | 0 | 0 | 0 | 111.3 | | |
| 809 | R | 26.9 | Very low | 28.4 | Very low | 217 Ų | 217 | 149 Ų | 149 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | | | trans | -36 | 149 | 158 | -70.8 | 176.9 | 172.2 | 158.8 | -3.7 | 114 | | |
| 810 | N | 32.1 | Very low | 28.6 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | cis | -152.5 | 140.5 | 4.6 | -103.7 | -18.5 | 0 | 0 | 0 | 110.5 | | |
| 811 | Q | 30 | Very low | 28.5 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | 54.3 | 68.4 | 157.7 | -59.2 | -173.9 | 4.1 | 0 | 0 | 117.7 | | |
| 812 | T | 30.1 | Very low | 28.8 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | | 17.4 | 121.1 | 123.3 | 18.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 813 | F | 26.1 | Very low | 28.7 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | | | | 42.2 | 128.8 | 53.5 | -72.8 | -88.4 | 0 | 0 | 0 | 112.5 | | |
| 814 | N | 31.6 | Very low | 29.2 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | cis | -142.9 | 156 | 20.2 | -85.5 | -61.7 | 0 | 0 | 0 | 107.7 | | |
| 815 | A | 29.4 | Very low | 28.9 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 60% | 0.603 | 76% | 0.76 | S | S | * | * | | | cis | 71.9 | 114.2 | 44.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 816 | K | 28.5 | Very low | 29.1 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | 69.4 | 147.6 | 162.7 | -59.9 | 175.8 | -177.1 | 174.7 | 0 | 115.5 | | |
| 817 | N | 30.3 | Very low | 29 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | cis | -154.7 | 153.4 | 0.4 | -117 | -0.1 | 0 | 0 | 0 | 111.4 | | |
| 818 | T | 29.1 | Very low | 29.2 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | | | trans | 69 | 136 | 160.5 | 12.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 819 | Y | 26.2 | Very low | 29.1 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | | | trans | 71.7 | 143.4 | 165.7 | -64.9 | -68.8 | 0 | 0 | 0 | 121.3 | | |
| 820 | H | 29.3 | Very low | 29.5 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | | | trans | 67.2 | 89.6 | 175.1 | -55.8 | -57.1 | 0 | 0 | 0 | 120.6 | | |
| 821 | Q | 24.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | | | | 29.4 | 136 | 120.7 | 176.2 | -172.5 | 88.1 | 0 | 0 | 119.8 | | |
| 822 | P | 30.5 | Very low | 29.3 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | | | cis | -144.7 | 159.5 | 17.4 | 37.4 | -16.5 | 0 | 0 | 0 | 119.9 | | |
| 823 | L | 26.7 | Very low | 29.1 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 88% | 0.88 | 73% | 0.728 | S | S | * | * | | | trans | 57.5 | 169.6 | 146.3 | -98.1 | 74.8 | 0 | 0 | 0 | 119.7 | | |
| 824 | P | 33.2 | Very low | 29.2 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | | | trans | -138.2 | -159.7 | -137 | 40 | -16 | 0 | 0 | 0 | 116 | | |
| 825 | Q | 25.8 | Very low | 29.1 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | | | trans | 79.3 | 167.8 | 169.7 | -44.3 | -169.7 | -6.2 | 0 | 0 | 116.3 | | |
| 826 | P | 32.5 | Very low | 29 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | | | cis | -113.7 | -135.9 | -39.5 | 18.8 | 4 | 0 | 0 | 0 | 109.4 | | |
| 827 | S | 29.1 | Very low | 29.3 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | | | cis | 172.5 | 168.5 | 25.1 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 828 | L | 30.9 | Very low | 29.2 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | trans | 67.4 | 157 | 157.3 | -52.7 | -175.9 | 0 | 0 | 0 | 116.3 | | |
| 829 | N | 29 | Very low | 29.1 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | cis | -160.2 | -171.2 | -17.2 | -107 | -2.8 | 0 | 0 | 0 | 107.4 | | |
| 830 | L | 34.9 | Very low | 29.1 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | cis | -142 | 168.7 | 18.4 | -83.8 | 83 | 0 | 0 | 0 | 111.9 | | |
| 831 | A | 24.6 | Very low | 29.2 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | trans | -84.6 | -170.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 832 | P | 32.6 | Very low | 29.4 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | | -120 | -139.3 | 53.3 | 16.6 | 10.1 | 0 | 0 | 0 | 111.5 | | |
| 833 | S | 26.8 | Very low | 29.4 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | cis | -158.9 | 171.9 | 14.7 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 834 | F | 26.8 | Very low | 29.7 | Very low | 214 Ų | 214 | 141 Ų | 141 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | | | trans | -116.7 | 156.2 | 171.5 | -79.2 | -101.5 | 0 | 0 | 0 | 111.6 | | |
| 835 | F | 30.3 | Very low | 29.6 | Very low | 199 Ų | 199 | 145.8 Ų | 145.8 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | | | trans | -110.8 | 134.9 | 177.6 | -106 | -84.3 | 0 | 0 | 0 | 113.4 | | |
| 836 | K | 26.9 | Very low | 29.8 | Very low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | | | trans | -99 | 124.2 | 147.9 | -82.4 | -174.3 | 175.7 | -178.3 | 0 | 108.4 | | |
| 837 | P | 34.6 | Very low | 29.7 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | | | trans | -88 | 155.8 | 158.2 | 33.3 | -28.7 | 0 | 0 | 0 | 110.2 | | |
| 838 | Y | 29.2 | Very low | 29.6 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | cis | -152.9 | 140.5 | -11.9 | -110.3 | -62.4 | 0 | 0 | 0 | 106.7 | L840 | Y838-L840 HydrophobicContact CD1-CD1 4.3Å; Y838-L840 HydrophobicContact CE1-CD1 4.18Å |
| 839 | Q | 27.1 | Very low | 29.7 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | trans | -148.5 | 143.2 | 145.7 | -144.3 | 158.3 | 0.6 | 0 | 0 | 108 | | |
| 840 | L | 26.2 | Very low | 29.8 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | trans | -130 | 176.5 | -170.6 | -99.7 | 164.4 | 0 | 0 | 0 | 109 | Y838 | Y838-L840 HydrophobicContact CD1-CD1 4.3Å; Y838-L840 HydrophobicContact CE1-CD1 4.18Å |
| 841 | T | 30 | Very low | 29.8 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | trans | 73.6 | 134.8 | 179.1 | 70.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 842 | D | 29.7 | Very low | 30.1 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | cis | -157 | 178.7 | -14.6 | -108.5 | -25.7 | 0 | 0 | 0 | 112.4 | | |
| 843 | D | 30.8 | Very low | 30.4 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | 62 | 101.7 | 160.9 | -63.6 | -31.3 | 0 | 0 | 0 | 120.1 | | |
| 844 | N | 32.5 | Very low | 30.8 | Very low | 131 Ų | 131 | 155.6 Ų | 155.6 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | S | Bend | | -171.6 | 118.2 | 98.3 | -98.4 | -69.8 | 0 | 0 | 0 | 112.4 | | |
| 845 | F | 30.3 | Very low | 31.2 | Very low | 200 Ų | 200 | 152.8 Ų | 152.8 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | 48.6 | 121.1 | 165.3 | -50.7 | -75.8 | 0 | 0 | 0 | 119.5 | | |
| 846 | G | 31 | Very low | 31.6 | Very low | 70 Ų | 70 | 151.4 Ų | 151.4 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | cis | 174 | -180 | -2.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 847 | N | 31.3 | Very low | 32.3 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | | | trans | 69 | 75.2 | 168.8 | -60.8 | -5.9 | 0 | 0 | 0 | 119.5 | | |
| 848 | L | 26.2 | Very low | 32.8 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -67.6 | 167.1 | 133.4 | -86.8 | 164.8 | 0 | 0 | 0 | 109.6 | V850 | L848-V850 HydrophobicContact CD2-CG2 4.15Š|
| 849 | P | 32.6 | Very low | 33.5 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | cis | -147.4 | 143.1 | 32.8 | 39.4 | -17.4 | 0 | 0 | 0 | 120.5 | | |
| 850 | V | 31.8 | Very low | 34.2 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 57% | 0.57 | 73% | 0.726 | S | S | * | * | | | | 51.4 | 119.1 | 123.2 | -169.2 | 0 | 0 | 0 | 0 | 120.5 | L848 | L848-V850 HydrophobicContact CD2-CG2 4.15Š|
| 851 | K | 33.7 | Very low | 35.2 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 90% | 0.904 | 72% | 0.721 | S | S | * | * | | | | -165.7 | 115.4 | 112.8 | -104.5 | 168.4 | -169.7 | 169.2 | 0 | 114 | | |
| 852 | D | 31.9 | Very low | 35.8 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | | | trans | -86.7 | 153.2 | -170.8 | -41.1 | -102.3 | 0 | 0 | 0 | 114.9 | | |
| 853 | K | 38.9 | Very low | 36.3 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | | | | 167.3 | 68.1 | 117.6 | -88.4 | 152.1 | -171.6 | 170.8 | 0 | 114.9 | H855 | K853-H855 PolarHBondContact O-N 3.45Š|
| 854 | E | 34.5 | Very low | 36.8 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | | | trans | -75.1 | 40.5 | 171.6 | -61.7 | -168.2 | 106.3 | 0 | 0 | 114.4 | | |
| 855 | H | 35.5 | Very low | 37.2 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | | | trans | -116 | 16.4 | -159 | -94.7 | 35.1 | 0 | 0 | 0 | 117.9 | K853 | K853-H855 PolarHBondContact O-N 3.45Š|
| 856 | H | 38.7 | Very low | 37.5 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.787 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -127.7 | -8.6 | 172.8 | -78.4 | -52 | 0 | 0 | 0 | 117 | | |
| 857 | I | 42.6 | Very low | 37.9 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -89.2 | -28.5 | -177.6 | -63.7 | 175 | 0 | 0 | 0 | 112.6 | I859 | I857-I859 VanDerWaalsContact C-N 3.34Å; I857-I859 PolarHBondContact O-N 2.92Å |
| 858 | S | 44 | Very low | 38.1 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 41% | 0.406 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -60.1 | -35.8 | -176.3 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | Q860 Q861 Q862 | S858-Q860 PolarHBondContact O-N 2.78Å; S858-Q861 PolarHBondContact O-N 3.33Å; S858-Q862 PolarHBondContact O-N 2.8Å |
| 859 | I | 44.4 | Very low | 38.8 | Very low | 82 Ų | 82 | 136 Ų | 136 | 42% | 0.421 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -67.5 | -35.8 | -169.7 | -59.8 | 174.9 | 0 | 0 | 0 | 112.4 | I857 L863 | I857-I859 VanDerWaalsContact C-N 3.34Å; I857-I859 PolarHBondContact O-N 2.92Å; I859-L863 PolarHBondContact O-N 3.29Å |
| 860 | Q | 42.5 | Very low | 39.1 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.2 | -30.4 | 180 | -77.3 | -167.7 | -19.8 | 0 | 0 | 113.4 | S858 | S858-Q860 PolarHBondContact O-N 2.78Å |
| 861 | Q | 45.7 | Very low | 39.1 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 59% | 0.589 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69.5 | -36.1 | 173.9 | -71.5 | -165.1 | 1.2 | 0 | 0 | 112.1 | S858 L863 R864 R865 | S858-Q861 PolarHBondContact O-N 3.33Å; Q861-L863 VanDerWaalsContact C-N 3.34Å; Q861-L863 PolarHBondContact O-N 2.99Å; Q861-R864 PolarHBondContact O-N 3.19Å; Q861-R865 PolarHBondContact O-N 3.22Å; Q861-R865 VanDerWaalsContact O-N 3.15Å |
| 862 | Q | 42.3 | Very low | 39.2 | Very low | 129 Ų | 129 | 137 Ų | 137 | 60% | 0.603 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -60.5 | -41.3 | 177.1 | -71.3 | 175.4 | -9.8 | 0 | 0 | 112 | S858 R865 A866 | S858-Q862 PolarHBondContact O-N 2.8Å; Q862-R865 PolarHBondContact O-N 3.34Å; Q862-A866 PolarHBondContact O-N 3.25Å |
| 863 | L | 40.7 | Very low | 39.6 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 50% | 0.497 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -66.6 | -37.8 | 179.3 | -79.2 | 163.9 | 0 | 0 | 0 | 113.7 | I859 Q861 A866 L867 | I859-L863 PolarHBondContact O-N 3.29Å; Q861-L863 VanDerWaalsContact C-N 3.34Å; Q861-L863 PolarHBondContact O-N 2.99Å; L863-A866 PolarHBondContact O-N 2.89Å; L863-L867 PolarHBondContact O-N 3.43Å |
| 864 | R | 41.2 | Very low | 39.8 | Very low | 211 Ų | 211 | 143 Ų | 143 | 80% | 0.796 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.9 | -30.9 | 173.7 | -89.1 | -172.2 | 172.4 | -173.9 | -1.3 | 113.1 | Q861 S868 | Q861-R864 PolarHBondContact O-N 3.19Å; R864-S868 PolarHBondContact O-OG 3.03Å |
| 865 | R | 42.3 | Very low | 40.2 | Very low | 174 Ų | 174 | 139 Ų | 139 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.7 | -38 | 171.4 | -71.7 | -175.4 | 178.9 | -174.8 | 1.7 | 112 | Q861 Q862 L867 S868 L869 | Q861-R865 PolarHBondContact O-N 3.22Å; Q861-R865 VanDerWaalsContact O-N 3.15Å; Q862-R865 PolarHBondContact O-N 3.34Å; R865-L867 PolarHBondContact O-N 2.87Å; R865-S868 PolarHBondContact O-N 2.91Å; R865-S868 PolarHBondContact O-OG 3.13Å; R865-L869 WeakPolarHBondContact O-CG 3.41Å |
| 866 | A | 35.9 | Very low | 40.7 | Very low | 62 Ų | 62 | 137.7 Ų | 137.7 | 51% | 0.512 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -61.2 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q862 L863 S868 | Q862-A866 PolarHBondContact O-N 3.25Å; L863-A866 PolarHBondContact O-N 2.89Å; A866-S868 PolarHBondContact O-N 2.89Å |
| 867 | L | 39.4 | Very low | 41.2 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 72% | 0.723 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.9 | -17 | -177.8 | -69.1 | 172.7 | 0 | 0 | 0 | 114.6 | L863 R865 | L863-L867 PolarHBondContact O-N 3.43Å; R865-L867 PolarHBondContact O-N 2.87Å |
| 868 | S | 36.4 | Very low | 42.3 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -92.5 | -13 | -179.6 | 39.2 | 0 | 0 | 0 | 0 | 114 | R864 R865 A866 | R864-S868 PolarHBondContact O-OG 3.03Å; R865-S868 PolarHBondContact O-N 2.91Å; R865-S868 PolarHBondContact O-OG 3.13Å; A866-S868 PolarHBondContact O-N 2.89Å |
| 869 | L | 39 | Very low | 43.1 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -93 | -14.6 | -176.1 | -71 | 169.8 | 0 | 0 | 0 | 114.9 | R865 | R865-L869 WeakPolarHBondContact O-CG 3.41Š|
| 870 | S | 39.4 | Very low | 44.3 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -87 | -13 | -174.1 | 58.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 871 | S | 33.2 | Very low | 45.7 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -112.5 | 19.7 | -165 | -164.9 | 0 | 0 | 0 | 0 | 116 | | |
| 872 | R | 35.5 | Very low | 47 | Very low | 237 Ų | 237 | 134.8 Ų | 134.8 | 89% | 0.894 | 67% | 0.671 | S | S | * | * | | | trans | -130.5 | 76.7 | 167.1 | -79.2 | -167.2 | 172.8 | -165 | -2 | 111.8 | K874 | R872-K874 PolarHBondContact O-N 3.35Š|
| 873 | R | 39.8 | Very low | 48.4 | Very low | 248 Ų | 248 | 131.9 Ų | 131.9 | 94% | 0.936 | 66% | 0.659 | S | S | * | * | | | trans | -62.9 | 105.4 | 161.2 | -75.2 | -175.8 | 174.9 | -179.4 | -2.4 | 108.9 | | |
| 874 | K | 43.4 | Very low | 50 | Low | 198 Ų | 198 | 131.1 Ų | 131.1 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 151.4 | 156.3 | -65 | -178.7 | 179.4 | 179.7 | 0 | 108 | R872 | R872-K874 PolarHBondContact O-N 3.35Š|
| 875 | S | 41.6 | Very low | 51.8 | Low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 154.1 | 179.1 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | R877 | S875-R877 PolarHBondContact O-N 3.27Š|
| 876 | P | 46.3 | Very low | 53.5 | Low | 126 Ų | 126 | 120.3 Ų | 120.3 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 135.5 | 167.9 | 26.1 | -34.2 | 0 | 0 | 0 | 109.4 | | |
| 877 | R | 48.8 | Very low | 55.4 | Low | 162 Ų | 162 | 118.1 Ų | 118.1 | 61% | 0.611 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -70 | 158.9 | 170.6 | -86.2 | 177.6 | 163 | 170.3 | -3.2 | 110 | S875 E881 | S875-R877 PolarHBondContact O-N 3.27Å; R877-E881 HydrophobicContact CB-CB 3.89Å; R877-E881 HydrophobicContact CG-CB 4.15Å; R877-E881 IonicContact NE-OE1 2.68Å |
| 878 | S | 65.8 | Low | 57.2 | Low | 59 Ų | 59 | 115.1 Ų | 115.1 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 154.7 | 170.1 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | N880 E881 E882 | S878-N880 PolarHBondContact O-N 2.8Å; S878-E881 WeakPolarHBondContact CB-OE2 3.37Å; S878-E881 PolarHBondContact N-OE2 3.31Å; S878-E881 WeakPolarHBondContact O-CB 3.47Å; S878-E881 PolarHBondContact O-N 3.47Å; S878-E881 VanDerWaalsContact OG-CG 3.3Å; S878-E881 WeakPolarHBondContact OG-CG 3.44Å; S878-E881 PolarHBondContact OG-N 3.25Å; S878-E881 PolarHBondContact OG-OE2 3.12Å; S878-E882 PolarHBondContact O-N 3.33Å |
| 879 | L | 62.1 | Low | 59.4 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.2 | -31.9 | -179.7 | -175.2 | 146.8 | 0 | 0 | 0 | 112.1 | E882 I883 | L879-E882 PolarHBondContact O-N 2.87Å; L879-I883 HydrophobicContact CD2-CD1 3.56Å; L879-I883 HydrophobicContact CD2-CG1 4.3Å; L879-I883 WeakPolarHBondContact O-CG1 3.49Å; L879-I883 PolarHBondContact O-N 2.81Å |
| 880 | N | 68.9 | Low | 61.1 | Low | 126 Ų | 126 | 112 Ų | 112 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.9 | -37.4 | 174 | -69.3 | 3.9 | 0 | 0 | 0 | 112.7 | S878 E882 Q884 | S878-N880 PolarHBondContact O-N 2.8Å; N880-E882 VanDerWaalsContact C-N 3.31Å; N880-Q884 VanDerWaalsContact O-CB 3.23Å; N880-Q884 WeakPolarHBondContact O-CB 3.39Å; N880-Q884 PolarHBondContact O-N 2.74Å |
| 881 | E | 71.8 | Confident | 62.6 | Low | 91 Ų | 91 | 113.1 Ų | 113.1 | 43% | 0.425 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.8 | -29.5 | 171.3 | -75.1 | 170 | 101.1 | 0 | 0 | 112.3 | R877 S878 S885 | R877-E881 HydrophobicContact CB-CB 3.89Å; R877-E881 HydrophobicContact CG-CB 4.15Å; R877-E881 IonicContact NE-OE1 2.68Å; S878-E881 WeakPolarHBondContact CB-OE2 3.37Å; S878-E881 PolarHBondContact N-OE2 3.31Å; S878-E881 WeakPolarHBondContact O-CB 3.47Å; S878-E881 PolarHBondContact O-N 3.47Å; S878-E881 VanDerWaalsContact OG-CG 3.3Å; S878-E881 WeakPolarHBondContact OG-CG 3.44Å; S878-E881 PolarHBondContact OG-N 3.25Å; S878-E881 PolarHBondContact OG-OE2 3.12Å; E881-S885 WeakPolarHBondContact O-CB 3.25Å; E881-S885 PolarHBondContact O-N 3.4Å |
| 882 | E | 73.2 | Confident | 64.6 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 56% | 0.556 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.5 | -47.1 | 174.9 | -171.4 | 161.2 | -142.8 | 0 | 0 | 110.9 | S878 L879 N880 Q884 S885 I886 | S878-E882 PolarHBondContact O-N 3.33Å; L879-E882 PolarHBondContact O-N 2.87Å; N880-E882 VanDerWaalsContact C-N 3.31Å; E882-Q884 PolarHBondContact O-N 2.86Å; E882-S885 CarbonylContact O-C 3.17Å; E882-S885 PolarHBondContact O-N 3.35Å; E882-I886 HydrophobicContact CG-CD1 4.19Å; E882-I886 VanDerWaalsContact O-CG1 3.26Å; E882-I886 WeakPolarHBondContact O-CG1 3.33Å; E882-I886 PolarHBondContact O-N 3.46Å |
| 883 | I | 72.2 | Confident | 65.9 | Low | 68 Ų | 68 | 110.7 Ų | 110.7 | 35% | 0.349 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 171.9 | -67.9 | 175.1 | 0 | 0 | 0 | 111 | L879 S885 I886 M887 I900 | L879-I883 HydrophobicContact CD2-CD1 3.56Å; L879-I883 HydrophobicContact CD2-CG1 4.3Å; L879-I883 WeakPolarHBondContact O-CG1 3.49Å; L879-I883 PolarHBondContact O-N 2.81Å; I883-S885 PolarHBondContact O-N 3.27Å; I883-I886 PolarHBondContact O-N 2.96Å; I883-I886 VanDerWaalsContact O-N 3.13Å; I883-M887 HydrophobicContact CG2-CE 4.18Å; I883-M887 HydrophobicContact CG2-CG 4.5Å; I883-M887 HydrophobicContact CG2-SD 4.4Å; I883-M887 WeakPolarHBondContact O-CG 3.45Å; I883-M887 PolarHBondContact O-N 3.44Å; I883-I900 HydrophobicContact CG2-CD1 3.96Å |
| 884 | Q | 74.1 | Confident | 67.5 | Low | 79 Ų | 79 | 102 Ų | 102 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.8 | -169.5 | 62.7 | 53.2 | 0 | 0 | 111.2 | N880 E882 I886 M887 D888 | N880-Q884 VanDerWaalsContact O-CB 3.23Å; N880-Q884 WeakPolarHBondContact O-CB 3.39Å; N880-Q884 PolarHBondContact O-N 2.74Å; E882-Q884 PolarHBondContact O-N 2.86Å; Q884-I886 PolarHBondContact O-N 3.45Å; Q884-M887 PolarHBondContact O-N 2.78Å; Q884-M887 VanDerWaalsContact OE1-CE 3.22Å; Q884-D888 PolarHBondContact NE2-OD1 3.24Å; Q884-D888 WeakPolarHBondContact O-CB 3.29Å; Q884-D888 PolarHBondContact O-N 2.65Å |
| 885 | S | 79.5 | Confident | 68.3 | Low | 51 Ų | 51 | 95.3 Ų | 95.3 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -23.8 | 175.5 | -169.9 | 0 | 0 | 0 | 0 | 113.5 | E881 E882 I883 K889 | E881-S885 WeakPolarHBondContact O-CB 3.25Å; E881-S885 PolarHBondContact O-N 3.4Å; E882-S885 CarbonylContact O-C 3.17Å; E882-S885 PolarHBondContact O-N 3.35Å; I883-S885 PolarHBondContact O-N 3.27Å; S885-K889 VanDerWaalsContact O-CB 3.23Å; S885-K889 WeakPolarHBondContact O-CB 3.39Å; S885-K889 PolarHBondContact O-N 3.33Å |
| 886 | I | 77.5 | Confident | 69.1 | Low | 107 Ų | 107 | 95.9 Ų | 95.9 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -78.1 | -42.4 | 172.1 | -70.8 | 162.3 | 0 | 0 | 0 | 110.5 | E882 I883 Q884 K889 H890 | E882-I886 HydrophobicContact CG-CD1 4.19Å; E882-I886 VanDerWaalsContact O-CG1 3.26Å; E882-I886 WeakPolarHBondContact O-CG1 3.33Å; E882-I886 PolarHBondContact O-N 3.46Å; I883-I886 PolarHBondContact O-N 2.96Å; I883-I886 VanDerWaalsContact O-N 3.13Å; Q884-I886 PolarHBondContact O-N 3.45Å; I886-K889 PolarHBondContact O-N 2.86Å; I886-H890 WeakPolarHBondContact O-CB 3.38Å; I886-H890 PolarHBondContact O-N 3.2Å |
| 887 | M | 76.6 | Confident | 70.2 | Confident | 17 Ų | 17 | 97.7 Ų | 97.7 | 8% | 0.084 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 176.4 | -67.5 | -172.9 | -56.9 | 0 | 0 | 112.8 | I883 Q884 K889 H890 Y891 I900 | I883-M887 HydrophobicContact CG2-CE 4.18Å; I883-M887 HydrophobicContact CG2-CG 4.5Å; I883-M887 HydrophobicContact CG2-SD 4.4Å; I883-M887 WeakPolarHBondContact O-CG 3.45Å; I883-M887 PolarHBondContact O-N 3.44Å; Q884-M887 PolarHBondContact O-N 2.78Å; Q884-M887 VanDerWaalsContact OE1-CE 3.22Å; M887-K889 VanDerWaalsContact C-N 3.3Å; M887-K889 PolarHBondContact O-N 2.95Å; M887-H890 WeakPolarHBondContact O-CB 3.26Å; M887-H890 PolarHBondContact O-N 3.21Å; M887-Y891 WeakPolarHBondContact O-CB 3.4Å; M887-Y891 PolarHBondContact O-N 2.92Å; M887-I900 HydrophobicContact CE-CD1 3.77Å; M887-I900 HydrophobicContact CE-CG1 3.72Å; M887-I900 HydrophobicContact SD-CD1 4.13Å; M887-I900 HydrophobicContact SD-CG1 3.54Å; M887-I900 VanDerWaalsContact SD-CG1 3.54Å |
| 888 | D | 76.8 | Confident | 70.7 | Confident | 75 Ų | 75 | 94.4 Ų | 94.4 | 40% | 0.401 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 174.8 | -67.6 | -18.6 | 0 | 0 | 0 | 110.2 | Q884 Y891 E892 | Q884-D888 PolarHBondContact NE2-OD1 3.24Å; Q884-D888 WeakPolarHBondContact O-CB 3.29Å; Q884-D888 PolarHBondContact O-N 2.65Å; D888-Y891 WeakPolarHBondContact O-CB 3.36Å; D888-Y891 PolarHBondContact O-N 3.04Å; D888-E892 WeakPolarHBondContact O-CB 3.12Å; D888-E892 PolarHBondContact O-N 3.36Å |
| 889 | K | 81.1 | Confident | 70.6 | Confident | 115 Ų | 115 | 96.7 Ų | 96.7 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.2 | -33.7 | 174.1 | -168.7 | 176.8 | -178.7 | -174.9 | 0 | 112.8 | S885 I886 M887 Y891 E892 M893 | S885-K889 VanDerWaalsContact O-CB 3.23Å; S885-K889 WeakPolarHBondContact O-CB 3.39Å; S885-K889 PolarHBondContact O-N 3.33Å; I886-K889 PolarHBondContact O-N 2.86Å; M887-K889 VanDerWaalsContact C-N 3.3Å; M887-K889 PolarHBondContact O-N 2.95Å; K889-Y891 VanDerWaalsContact C-N 3.33Å; K889-E892 PolarHBondContact O-N 2.99Å; K889-M893 HydrophobicContact CG-CE 4.18Å; K889-M893 HydrophobicContact CG-CG 4.36Å; K889-M893 HydrophobicContact CG-SD 4.17Å; K889-M893 WeakPolarHBondContact O-CB 3.25Å; K889-M893 VanDerWaalsContact O-CG 3.23Å; K889-M893 WeakPolarHBondContact O-CG 3.01Å; K889-M893 PolarHBondContact O-N 3.24Å |
| 890 | H | 74.7 | Confident | 70.4 | Confident | 53 Ų | 53 | 96.4 Ų | 96.4 | 25% | 0.245 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 171 | -178.2 | -78.5 | 0 | 0 | 0 | 110.6 | I886 M887 M893 T894 I896 M898 | I886-H890 WeakPolarHBondContact O-CB 3.38Å; I886-H890 PolarHBondContact O-N 3.2Å; M887-H890 WeakPolarHBondContact O-CB 3.26Å; M887-H890 PolarHBondContact O-N 3.21Å; H890-M893 PolarHBondContact O-N 3.11Å; H890-T894 PolarHBondContact CE1-OG1 3.07Å; H890-T894 VanDerWaalsContact CE1-OG1 3.28Å; H890-T894 PolarHBondContact ND1-OG1 3.23Å; H890-T894 WeakPolarHBondContact O-CB 3.39Å; H890-T894 WeakPolarHBondContact O-CG2 3.31Å; H890-T894 PolarHBondContact O-N 3.34Å; H890-T894 PolarHBondContact O-OG1 3.34Å; H890-I896 PolarHBondContact ND1-O 2.85Å; H890-M898 HydrophobicContact CB-CE 4.29Å |
| 891 | Y | 71.4 | Confident | 69 | Low | 118 Ų | 118 | 93.6 Ų | 93.6 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 174.7 | 179.3 | -123.2 | 0 | 0 | 0 | 111.9 | M887 D888 K889 M893 G895 R897 | M887-Y891 WeakPolarHBondContact O-CB 3.4Å; M887-Y891 PolarHBondContact O-N 2.92Å; D888-Y891 WeakPolarHBondContact O-CB 3.36Å; D888-Y891 PolarHBondContact O-N 3.04Å; K889-Y891 VanDerWaalsContact C-N 3.33Å; Y891-M893 VanDerWaalsContact C-N 3.34Å; Y891-M893 PolarHBondContact O-N 3.42Å; Y891-G895 WeakPolarHBondContact CD2-O 3.39Å; Y891-G895 VanDerWaalsContact CE2-O 3.24Å; Y891-G895 WeakPolarHBondContact CE2-O 3.48Å; Y891-G895 VanDerWaalsContact O-CA 3.31Å; Y891-G895 WeakPolarHBondContact O-CA 3.2Å; Y891-G895 PolarHBondContact O-N 2.6Å; Y891-R897 HydrophobicContact CD2-CB 3.53Å; Y891-R897 HydrophobicContact CD2-CG 4.1Å; Y891-R897 HydrophobicContact CE2-CB 3.81Å; Y891-R897 HydrophobicContact CE2-CG 4.49Å; Y891-R897 HydrophobicContact CG-CB 4.12Å; Y891-R897 HydrophobicContact CG-CG 4.19Å |
| 892 | E | 76.1 | Confident | 67.3 | Low | 158 Ų | 158 | 95.2 Ų | 95.2 | 74% | 0.738 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.6 | -39.4 | 173.7 | -173.9 | 179.9 | -151.2 | 0 | 0 | 112.8 | D888 K889 | D888-E892 WeakPolarHBondContact O-CB 3.12Å; D888-E892 PolarHBondContact O-N 3.36Å; K889-E892 PolarHBondContact O-N 2.99Å |
| 893 | M | 62.6 | Low | 65.3 | Low | 130 Ų | 130 | 92.5 Ų | 92.5 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -83.8 | -24.3 | -178.1 | -68.1 | -177.7 | -49 | 0 | 0 | 114.7 | K889 H890 Y891 | K889-M893 HydrophobicContact CG-CE 4.18Å; K889-M893 HydrophobicContact CG-CG 4.36Å; K889-M893 HydrophobicContact CG-SD 4.17Å; K889-M893 WeakPolarHBondContact O-CB 3.25Å; K889-M893 VanDerWaalsContact O-CG 3.23Å; K889-M893 WeakPolarHBondContact O-CG 3.01Å; K889-M893 PolarHBondContact O-N 3.24Å; H890-M893 PolarHBondContact O-N 3.11Å; Y891-M893 VanDerWaalsContact C-N 3.34Å; Y891-M893 PolarHBondContact O-N 3.42Å |
| 894 | T | 72 | Confident | 63.2 | Low | 67 Ų | 67 | 95.2 Ų | 95.2 | 41% | 0.411 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -122.2 | -15.9 | -171 | 65.2 | 0 | 0 | 0 | 0 | 114.7 | H890 I896 | H890-T894 PolarHBondContact CE1-OG1 3.07Å; H890-T894 VanDerWaalsContact CE1-OG1 3.28Å; H890-T894 PolarHBondContact ND1-OG1 3.23Å; H890-T894 WeakPolarHBondContact O-CB 3.39Å; H890-T894 WeakPolarHBondContact O-CG2 3.31Å; H890-T894 PolarHBondContact O-N 3.34Å; H890-T894 PolarHBondContact O-OG1 3.34Å; T894-I896 PolarHBondContact O-N 3.47Å; T894-I896 VanDerWaalsContact O-N 3.15Å; T894-I896 PolarHBondContact OG1-N 3.47Å; T894-I896 PolarHBondContact OG1-O 2.89Å |
| 895 | G | 62.2 | Low | 60.9 | Low | 56 Ų | 56 | 95.8 Ų | 95.8 | 58% | 0.577 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 69.3 | -6.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y891 | Y891-G895 WeakPolarHBondContact CD2-O 3.39Å; Y891-G895 VanDerWaalsContact CE2-O 3.24Å; Y891-G895 WeakPolarHBondContact CE2-O 3.48Å; Y891-G895 VanDerWaalsContact O-CA 3.31Å; Y891-G895 WeakPolarHBondContact O-CA 3.2Å; Y891-G895 PolarHBondContact O-N 2.6Å |
| 896 | I | 57.9 | Low | 58.5 | Low | 115 Ų | 115 | 100.7 Ų | 100.7 | 59% | 0.59 | 57% | 0.569 | S | S | * | * | | | trans | -97.6 | 111.8 | -177.1 | -59.6 | 173.7 | 0 | 0 | 0 | 109 | H890 T894 M898 | H890-I896 PolarHBondContact ND1-O 2.85Å; T894-I896 PolarHBondContact O-N 3.47Å; T894-I896 VanDerWaalsContact O-N 3.15Å; T894-I896 PolarHBondContact OG1-N 3.47Å; T894-I896 PolarHBondContact OG1-O 2.89Å; I896-M898 PolarHBondContact O-N 3.42Å; I896-M898 VanDerWaalsContact O-N 3.15Å |
| 897 | R | 67.9 | Low | 56.2 | Low | 164 Ų | 164 | 105.5 Ų | 105.5 | 62% | 0.619 | 59% | 0.586 | S | S | * | * | | | trans | -82 | 95.1 | -177.2 | -164 | 178.7 | -170.3 | -163.2 | 2.4 | 110.5 | Y891 T899 | Y891-R897 HydrophobicContact CD2-CB 3.53Å; Y891-R897 HydrophobicContact CD2-CG 4.1Å; Y891-R897 HydrophobicContact CE2-CB 3.81Å; Y891-R897 HydrophobicContact CE2-CG 4.49Å; Y891-R897 HydrophobicContact CG-CB 4.12Å; Y891-R897 HydrophobicContact CG-CG 4.19Å; R897-T899 PolarHBondContact O-N 3.42Å |
| 898 | M | 60.8 | Low | 54 | Low | 94 Ų | 94 | 110.3 Ų | 110.3 | 46% | 0.463 | 61% | 0.613 | S | S | . | * | | | trans | -64.8 | 125.3 | 167.1 | -64.8 | -156 | -60.2 | 0 | 0 | 109.8 | H890 I896 | H890-M898 HydrophobicContact CB-CE 4.29Å; I896-M898 PolarHBondContact O-N 3.42Å; I896-M898 VanDerWaalsContact O-N 3.15Å |
| 899 | T | 64.1 | Low | 51.5 | Low | 107 Ų | 107 | 111.5 Ų | 111.5 | 66% | 0.656 | 63% | 0.627 | S | S | * | * | | | trans | -108.6 | 140.4 | 171.2 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | R897 G901 | R897-T899 PolarHBondContact O-N 3.42Å; T899-G901 PolarHBondContact O-N 2.78Å; T899-G901 VanDerWaalsContact O-N 3.12Å |
| 900 | I | 57.3 | Low | 49.1 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 59% | 0.585 | 64% | 0.638 | S | S | * | * | | | trans | -71.5 | 109.6 | 167.3 | -57 | 177.7 | 0 | 0 | 0 | 106.7 | I883 M887 S902 | I883-I900 HydrophobicContact CG2-CD1 3.96Å; M887-I900 HydrophobicContact CE-CD1 3.77Å; M887-I900 HydrophobicContact CE-CG1 3.72Å; M887-I900 HydrophobicContact SD-CD1 4.13Å; M887-I900 HydrophobicContact SD-CG1 3.54Å; M887-I900 VanDerWaalsContact SD-CG1 3.54Å; I900-S902 PolarHBondContact O-N 3.31Å |
| 901 | G | 38.4 | Very low | 46.9 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | | | trans | -69.2 | 78.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T899 G903 | T899-G901 PolarHBondContact O-N 2.78Å; T899-G901 VanDerWaalsContact O-N 3.12Å; G901-G903 PolarHBondContact O-N 2.88Å |
| 902 | S | 36.4 | Very low | 45.1 | Very low | 124 Ų | 124 | 116 Ų | 116 | 87% | 0.867 | 68% | 0.68 | S | S | * | * | | | trans | -74.4 | 64 | 166 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | I900 | I900-S902 PolarHBondContact O-N 3.31Š|
| 903 | G | 31.3 | Very low | 42.8 | Very low | 62 Ų | 62 | 117.4 Ų | 117.4 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | | | trans | -159.4 | 108.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G901 | G901-G903 PolarHBondContact O-N 2.88Š|
| 904 | S | 27.6 | Very low | 41.1 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 87% | 0.874 | 68% | 0.684 | S | S | * | * | | | trans | -65.9 | 135.8 | 160 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 905 | S | 27.6 | Very low | 39 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | | | trans | -179.5 | 151.9 | 130.3 | -146 | 0 | 0 | 0 | 0 | 115.1 | | |
| 906 | Q | 28 | Very low | 37.5 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | | | trans | 47 | 110.2 | 142.8 | -75.4 | 154.7 | -34.7 | 0 | 0 | 121.9 | | |
| 907 | K | 29.7 | Very low | 36.1 | Very low | 208 Ų | 208 | 127 Ų | 127 | 90% | 0.904 | 71% | 0.714 | S | S | * | * | | | | -144.8 | 155.6 | 117.2 | -68 | -165.3 | -178.8 | -178.2 | 0 | 109.4 | | |
| 908 | N | 29.3 | Very low | 34.3 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | | -154.6 | 165.6 | -67.6 | -95.4 | -1.6 | 0 | 0 | 0 | 108.7 | | |
| 909 | S | 26.1 | Very low | 33.1 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | | | trans | 6.4 | 140.1 | 155.5 | 55.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 910 | T | 29.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | | | cis | -165.3 | 135.9 | 15.8 | 1.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 911 | T | 29 | Very low | 30.3 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | 27.8 | 119.8 | 140.1 | 58.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 912 | T | 32.4 | Very low | 30 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 71% | 0.713 | S | S | * | * | | | trans | -146 | 151.1 | 136.3 | 44.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 913 | K | 29.5 | Very low | 29.8 | Very low | 188 Ų | 188 | 128.1 Ų | 128.1 | 82% | 0.817 | 70% | 0.703 | S | S | * | * | | | cis | -163.2 | 137.2 | -29.2 | -124.8 | -179.9 | -178.5 | 178.9 | 0 | 106.8 | | |
| 914 | S | 26.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | | | trans | 50.3 | 138.3 | 165.8 | 48.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 915 | Y | 27 | Very low | 29.7 | Very low | 220 Ų | 220 | 127.2 Ų | 127.2 | 86% | 0.863 | 68% | 0.684 | S | S | * | * | | | cis | -102.4 | 137.7 | 14.9 | -74.1 | -110.6 | 0 | 0 | 0 | 110.8 | | |
| 916 | I | 31.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 60% | 0.595 | 69% | 0.691 | S | S | * | * | | | cis | 91.2 | 99 | 50 | -66.1 | 162.8 | 0 | 0 | 0 | 112.6 | | |
| 917 | N | 28 | Very low | 29.9 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | | | trans | 40.1 | 138.4 | 141.1 | -56.7 | -9.6 | 0 | 0 | 0 | 122.4 | | |
| 918 | L | 31.4 | Very low | 29.9 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | | | | -159.5 | 103 | 104.5 | -125.4 | 73.4 | 0 | 0 | 0 | 112.8 | | |
| 919 | F | 34.2 | Very low | 30.2 | Very low | 199 Ų | 199 | 128.1 Ų | 128.1 | 87% | 0.873 | 69% | 0.693 | S | S | * | * | | | trans | 57.3 | 153.2 | 166 | -50.5 | -68.8 | 0 | 0 | 0 | 119.7 | | |
| 920 | G | 32.6 | Very low | 30.4 | Very low | 30 Ų | 30 | 128.2 Ų | 128.2 | 31% | 0.309 | 69% | 0.694 | S | S | . | * | | | cis | 168.6 | 160.1 | -11.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S406 | S406-G920 WeakPolarHBondContact CB-O 3.16Å; S406-G920 PolarHBondContact OG-O 3.06Å |
| 921 | L | 31.3 | Very low | 30.4 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 59% | 0.592 | 70% | 0.698 | S | S | * | * | | | trans | 57.4 | 140.8 | 159.8 | -59.6 | 177.2 | 0 | 0 | 0 | 120.6 | S406 S407 | S406-L921 WeakPolarHBondContact CB-O 3.34Å; S406-L921 PolarHBondContact OG-O 3.02Å; S407-L921 WeakPolarHBondContact O-CA 3.26Å; S407-L921 PolarHBondContact O-N 2.72Å |
| 922 | Q | 30.7 | Very low | 30.6 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 45% | 0.453 | 70% | 0.7 | S | S | . | * | | | cis | -161.1 | -163.9 | -17.3 | -139.4 | -178.4 | 12.8 | 0 | 0 | 112 | Q405 S406 G408 | Q405-Q922 WeakPolarHBondContact CA-O 3.41Å; S406-Q922 VanDerWaalsContact O-CA 3.31Å; S406-Q922 WeakPolarHBondContact O-CA 3.34Å; S406-Q922 PolarHBondContact O-N 3.26Å; G408-Q922 WeakPolarHBondContact O-CG 3.38Å; G408-Q922 PolarHBondContact O-NE2 2.86Å |
| 923 | T | 32 | Very low | 30.4 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | | | trans | -82.2 | 158.1 | -168.1 | 44.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 924 | G | 28.5 | Very low | 30.4 | Very low | 42 Ų | 42 | 135.6 Ų | 135.6 | 43% | 0.433 | 70% | 0.695 | S | S | . | * | | | trans | -135.9 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q405 | Q405-G924 PolarHBondContact NE2-O 2.87Š|
| 925 | N | 28.2 | Very low | 30.3 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | | | trans | -159.3 | 133 | -167.7 | -123.4 | -122.3 | 0 | 0 | 0 | 117.3 | | |
| 926 | K | 28.4 | Very low | 30.3 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | | | trans | 66.8 | 157.3 | 158.3 | -58.1 | 156.5 | 177.2 | 144.7 | 0 | 116.2 | | |
| 927 | T | 32.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | | | cis | -150.3 | 167.2 | 10.2 | -22.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 928 | Q | 28.6 | Very low | 29.6 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | | | trans | -136.8 | 171.5 | 169.7 | -86.5 | -101.2 | -13.2 | 0 | 0 | 107.4 | | |
| 929 | P | 36.5 | Very low | 29.2 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | | | cis | -147.5 | -166.6 | 20.3 | 44.8 | -24.1 | 0 | 0 | 0 | 117.8 | | |
| 930 | S | 30.4 | Very low | 28.8 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | | | trans | 76.8 | 134 | 157.2 | 71.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 931 | R | 29.8 | Very low | 28.3 | Very low | 217 Ų | 217 | 143.4 Ų | 143.4 | 82% | 0.819 | 72% | 0.715 | S | S | * | * | | | cis | 96.1 | 124.2 | 28.9 | -79.2 | -174.5 | 170.6 | 172.5 | 1.2 | 114.1 | | |
| 932 | P | 33.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | | | | -141.7 | 161.5 | 78.3 | 38.3 | -23.5 | 0 | 0 | 0 | 114.8 | | |
| 933 | R | 27.1 | Very low | 27.8 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | | | cis | 106 | 86.2 | 12.5 | -166.8 | -166.7 | -169.4 | -171.7 | 5.5 | 116 | | |
| 934 | K | 29.5 | Very low | 27.6 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | trans | 161.4 | 148.3 | 148.8 | -90.4 | 151.1 | -170.5 | 173.3 | 0 | 109.6 | | |
| 935 | R | 25 | Very low | 27.7 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | | | cis | -170.1 | 156 | -17 | -125.8 | -175.4 | -167 | 140 | -9.1 | 110.9 | | |
| 936 | R | 26.5 | Very low | 27.7 | Very low | 217 Ų | 217 | 152.4 Ų | 152.4 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | | | trans | 64.8 | 115.3 | 159.1 | -67.8 | 178 | 170 | 176.6 | -5.4 | 118.9 | | |
| 937 | C | 21.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 151 Ų | 151 | 91% | 0.912 | 75% | 0.753 | S | S | * | * | | | trans | -112.6 | 123.5 | 156.9 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 938 | S | 23.1 | Very low | 27.4 | Very low | 84 Ų | 84 | 152.7 Ų | 152.7 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | | | trans | 161.8 | 129 | 169.1 | 59.7 | 0 | 0 | 0 | 0 | 106 | | |
| 939 | W | 23.7 | Very low | 27.6 | Very low | 229 Ų | 229 | 151.7 Ų | 151.7 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | | | cis | -153.8 | 164.7 | 22.8 | -58.8 | 79.6 | 0 | 0 | 0 | 109.2 | | |
| 940 | T | 24.3 | Very low | 27 | Very low | 100 Ų | 100 | 155.8 Ų | 155.8 | 61% | 0.613 | 76% | 0.755 | S | S | * | * | | | cis | -172.2 | 158.3 | -29.9 | 37 | 0 | 0 | 0 | 0 | 107.9 | | |
| 941 | F | 23 | Very low | 27 | Very low | 194 Ų | 194 | 156.3 Ų | 156.3 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | | | trans | 73.4 | 149 | 173.7 | -73 | -148.2 | 0 | 0 | 0 | 114.5 | | |
| 942 | T | 26.7 | Very low | 27.3 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | | | cis | -143.9 | 166.8 | 11.2 | -18.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 943 | K | 25.2 | Very low | 26.9 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | 3.5 | 138.8 | 141.7 | -82.6 | 173.2 | 131.6 | -79 | 0 | 117.3 | | |
| 944 | D | 26.3 | Very low | 27.1 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | | | cis | -154.3 | -164 | 31.5 | -88.7 | -47.3 | 0 | 0 | 0 | 111.2 | | |
| 945 | I | 31.7 | Very low | 27.2 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | | | trans | 81.1 | 116.4 | 163.1 | -57.7 | 158.9 | 0 | 0 | 0 | 116.9 | | |
| 946 | T | 27 | Very low | 27.3 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | | | trans | -81.5 | 151 | 159 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 947 | N | 26.7 | Very low | 27.2 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | trans | 76.1 | 90.3 | 172.6 | -51.2 | -10.8 | 0 | 0 | 0 | 116.1 | | |
| 948 | E | 29.8 | Very low | 27.5 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | | | | -132.6 | 143.1 | 113.6 | -83.9 | -157.5 | 111.6 | 0 | 0 | 109.4 | | |
| 949 | F | 31.7 | Very low | 28 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | | | trans | -4.9 | 132.2 | 170.9 | -47.5 | -80 | 0 | 0 | 0 | 117.7 | T951 | F949-T951 HydrophobicContact CB-CG2 4.26Å; F949-T951 HydrophobicContact CD1-CG2 4.2Å |
| 950 | Q | 24.8 | Very low | 28.3 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | | | cis | 52.4 | 37.7 | 20.1 | -139.6 | -177.3 | 22.1 | 0 | 0 | 116.8 | | |
| 951 | T | 29.9 | Very low | 28.4 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | | | trans | -136.4 | 134.3 | 152.1 | 49.2 | 0 | 0 | 0 | 0 | 107.4 | F949 | F949-T951 HydrophobicContact CB-CG2 4.26Å; F949-T951 HydrophobicContact CD1-CG2 4.2Å |
| 952 | S | 35.6 | Very low | 28.5 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | | | cis | -131.9 | 115.8 | 10.1 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 953 | L | 25.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | -71 | 140 | 144.8 | -82.5 | 162.2 | 0 | 0 | 0 | 108.1 | | |
| 954 | K | 30.6 | Very low | 28.6 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 81% | 0.809 | 73% | 0.73 | S | S | * | * | | | trans | 151 | 140 | 156.1 | -88.3 | -171.7 | 176.1 | -171.8 | 0 | 109.2 | | |
| 955 | N | 31.9 | Very low | 28.8 | Very low | 108 Ų | 108 | 132 Ų | 132 | 58% | 0.578 | 73% | 0.733 | S | S | * | * | | | cis | -155.1 | 144.5 | -12.3 | -128.7 | 16.1 | 0 | 0 | 0 | 113.4 | | |
| 956 | V | 28.4 | Very low | 28.5 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 46% | 0.461 | 73% | 0.731 | S | S | . | * | | | trans | 42.5 | 108.8 | 133.6 | 178.9 | 0 | 0 | 0 | 0 | 118.5 | L960 | V956-L960 HydrophobicContact CG1-CD2 4Å; V956-L960 HydrophobicContact CG1-CG 4.1Å |
| 957 | S | 22.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | S | Bend | | -85.1 | 149.1 | 124.3 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 958 | S | 29.9 | Very low | 28.4 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 64.2 | 109.8 | 162.7 | -49.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 959 | A | 32.8 | Very low | 28.2 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | 45.2 | 76 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 960 | L | 30.7 | Very low | 28 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 60% | 0.602 | 74% | 0.738 | S | S | * | * | | | | 50.1 | 115.5 | 69.1 | -54.6 | 172.7 | 0 | 0 | 0 | 112.3 | V956 | V956-L960 HydrophobicContact CG1-CD2 4Å; V956-L960 HydrophobicContact CG1-CG 4.1Å |
| 961 | H | 24.7 | Very low | 28.3 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | | 59.1 | 119.3 | 78.5 | -85.6 | -77.9 | 0 | 0 | 0 | 111.3 | | |
| 962 | L | 25.4 | Very low | 28.1 | Very low | 140 Ų | 140 | 135 Ų | 135 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | | | cis | -143.1 | -167.2 | 22.4 | -91.6 | 154.3 | 0 | 0 | 0 | 112.6 | | |
| 963 | D | 27.6 | Very low | 28 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | | | trans | 77.7 | 140.3 | 157.1 | -58.1 | -31.6 | 0 | 0 | 0 | 119.4 | | |
| 964 | C | 26.6 | Very low | 28.3 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 72% | 0.716 | 73% | 0.73 | S | S | * | * | | | cis | -155.7 | 174 | -19.1 | -121.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 965 | P | 31.7 | Very low | 28.3 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | | | trans | -87.9 | -148.6 | -172 | 39.2 | -38 | 0 | 0 | 0 | 112.9 | | |
| 966 | T | 24 | Very low | 28.7 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -18.1 | 136.9 | 169.5 | 40.3 | 0 | 0 | 0 | 0 | 118.2 | D968 | T966-D968 PolarHBondContact O-N 3.13Š|
| 967 | F | 25.2 | Very low | 28.9 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | | | trans | -10.5 | 105.1 | 148 | -92.5 | -103.7 | 0 | 0 | 0 | 115.5 | | |
| 968 | D | 27.6 | Very low | 29.2 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | trans | 176.7 | 144 | 139.4 | -96.3 | 5.2 | 0 | 0 | 0 | 107.5 | T966 | T966-D968 PolarHBondContact O-N 3.13Š|
| 969 | L | 25.6 | Very low | 29.3 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | cis | -154.4 | 158.7 | -15 | -157.4 | 109.1 | 0 | 0 | 0 | 108.4 | | |
| 970 | F | 27.3 | Very low | 29.3 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | | | trans | 8 | 107.9 | 169.9 | -81 | -109.8 | 0 | 0 | 0 | 120.5 | | |
| 971 | Q | 30.1 | Very low | 29.3 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | | | | -176.4 | 107.6 | 126.9 | -102.6 | 165.3 | 81.5 | 0 | 0 | 110.2 | | |
| 972 | K | 27.1 | Very low | 29.4 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | | 45.1 | 130.8 | 86.6 | -83.5 | -175.5 | 175.6 | 176.7 | 0 | 112.6 | | |
| 973 | K | 32.4 | Very low | 29.5 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 68% | 0.683 | 75% | 0.754 | S | S | * | * | | | trans | 88.1 | 136.7 | -135.5 | -54.5 | 139.2 | -133.3 | 159.2 | 0 | 108.7 | | |
| 974 | F | 31.6 | Very low | 29.7 | Very low | 194 Ų | 194 | 149.3 Ų | 149.3 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | | | cis | -143.5 | -134.9 | -24.9 | -132.3 | -64.7 | 0 | 0 | 0 | 111.3 | | |
| 975 | K | 31.2 | Very low | 29.8 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | | | trans | -163.1 | 168.5 | -170.4 | -81.9 | -170.9 | 175.9 | -179.5 | 0 | 110.1 | | |
| 976 | P | 39.9 | Very low | 29.6 | Very low | 95 Ų | 95 | 152.4 Ų | 152.4 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | | | cis | -143.2 | -173.9 | -45.4 | 42 | -24.5 | 0 | 0 | 0 | 114 | | |
| 977 | N | 32.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 154.4 Ų | 154.4 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | 73.9 | 147.1 | 163.5 | -55.2 | -22.3 | 0 | 0 | 0 | 117.1 | | |
| 978 | R | 30.4 | Very low | 30.1 | Very low | 204 Ų | 204 | 150.2 Ų | 150.2 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | cis | -160 | 139.3 | -2.5 | -128 | -176.9 | -176.7 | 153.2 | 0.7 | 110.2 | | |
| 979 | E | 31.7 | Very low | 30.1 | Very low | 133 Ų | 133 | 152.5 Ų | 152.5 | 62% | 0.621 | 77% | 0.769 | S | S | * | * | | | trans | 58.5 | 148 | 154.6 | -62.7 | 174.2 | -122.3 | 0 | 0 | 119.3 | | |
| 980 | K | 32.5 | Very low | 30.4 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | cis | -157.8 | 153.4 | -10.1 | -107.9 | 161.9 | -177.4 | 155.2 | 0 | 108 | | |
| 981 | P | 31.3 | Very low | 30.6 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -105.2 | 155.3 | -172.1 | 38.6 | -34.2 | 0 | 0 | 0 | 115.5 | | |
| 982 | S | 25.9 | Very low | 30.4 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -165.8 | 145.7 | 160.8 | 69.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 983 | V | 27.9 | Very low | 30.9 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | 64.3 | 95.3 | 160.7 | -163.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 984 | L | 31.9 | Very low | 30.8 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | | | trans | -166.6 | 51.5 | 130.8 | -114.9 | 168.8 | 0 | 0 | 0 | 113.8 | | |
| 985 | E | 27.6 | Very low | 30.7 | Very low | 202 Ų | 202 | 144 Ų | 144 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | | | trans | -102 | 68.1 | 170.6 | -165.1 | 172.9 | -150.7 | 0 | 0 | 110.9 | | |
| 986 | S | 28.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 55% | 0.545 | 79% | 0.794 | S | S | . | * | | | trans | -156.5 | 136.1 | 174.8 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 987 | L | 29 | Very low | 30.2 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | | | trans | 70.3 | 78.7 | 167 | -56.5 | 166.8 | 0 | 0 | 0 | 117.5 | | |
| 988 | S | 30.1 | Very low | 30.1 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | -175.9 | 97.7 | 117.8 | 38.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 989 | M | 28.3 | Very low | 30 | Very low | 191 Ų | 191 | 146 Ų | 146 | 94% | 0.941 | 81% | 0.81 | S | S | * | * | | | trans | -141.5 | 74.1 | 150.8 | -98.7 | -145.6 | 74.5 | 0 | 0 | 109.9 | | |
| 990 | T | 31.9 | Very low | 30 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | | | trans | -135.4 | 73.9 | 174.4 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 991 | A | 30.4 | Very low | 29.6 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | | | trans | -116.2 | 113.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 992 | L | 26.7 | Very low | 29.6 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | | | trans | -106.6 | -178 | 175.5 | -74.4 | 167.8 | 0 | 0 | 0 | 108.2 | | |
| 993 | P | 37.1 | Very low | 29.7 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | | | | -129.2 | -177.1 | -50.7 | 37.1 | -23 | 0 | 0 | 0 | 110.8 | | |
| 994 | C | 29.7 | Very low | 29.5 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 92% | 0.919 | 81% | 0.805 | S | S | * | * | | | trans | -144.4 | 168.4 | 155.4 | -129.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 995 | L | 29.8 | Very low | 29.4 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | | | trans | -98.3 | 154.8 | -160.2 | -78.5 | 157.5 | 0 | 0 | 0 | 115.5 | | |
| 996 | I | 31.3 | Very low | 29.3 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 80% | 0.795 | 79% | 0.79 | S | S | * | * | | | trans | -52.6 | 142.3 | 174.6 | -59.9 | 151.8 | 0 | 0 | 0 | 112.9 | | |
| 997 | P | 30.9 | Very low | 29.5 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | | | trans | -128.2 | 131.3 | 137.3 | 8.2 | 14 | 0 | 0 | 0 | 114.7 | | |
| 998 | L | 28.9 | Very low | 29.4 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | 63.9 | 147.2 | 142.2 | -54 | 174.3 | 0 | 0 | 0 | 121.8 | | |
| 999 | R | 29.3 | Very low | 29.4 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | -100.1 | 149 | 167.5 | -76 | 173.9 | 162.1 | 174.5 | -7.8 | 109.2 | | |
| 1000 | P | 31.2 | Very low | 29.3 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | | -125.2 | 163.9 | 89.6 | 38.2 | -31.6 | 0 | 0 | 0 | 111.4 | | |
| 1001 | R | 25.2 | Very low | 29.2 | Very low | 223 Ų | 223 | 145 Ų | 145 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | | | cis | 84.3 | 128.5 | 25.5 | -147.9 | -176.6 | -165.2 | 167.7 | 2.2 | 113.3 | | |
| 1002 | I | 31.2 | Very low | 29 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | trans | 78.1 | 105.4 | 178.9 | -59 | 164.1 | 0 | 0 | 0 | 111 | | |
| 1003 | Q | 27.2 | Very low | 29.1 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | | 62.5 | 148 | 95.9 | -69.2 | 175.3 | -71.3 | 0 | 0 | 114.1 | | |
| 1004 | S | 24.3 | Very low | 28.6 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 53% | 0.531 | 78% | 0.78 | S | S | . | * | | | cis | -172.9 | 172.2 | -28 | 46.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1005 | D | 29.1 | Very low | 28.5 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | 67.7 | 163.7 | 165.4 | -43.8 | -55.4 | 0 | 0 | 0 | 116.8 | | |
| 1006 | A | 26.2 | Very low | 28.5 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | cis | -168.6 | 85.6 | -42.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1007 | T | 32.5 | Very low | 28.3 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | -148.6 | 99.7 | 160.9 | 46.9 | 0 | 0 | 0 | 0 | 107 | | |
| 1008 | N | 27 | Very low | 28.3 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | | 54.5 | 104 | 76.3 | -63.8 | -11.8 | 0 | 0 | 0 | 112.2 | | |
| 1009 | D | 29.7 | Very low | 28.3 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | | | | -150.8 | 155.2 | 120.4 | -111.3 | -32.2 | 0 | 0 | 0 | 112 | | |
| 1010 | M | 25.1 | Very low | 28.3 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | trans | -115.4 | 174.7 | 174.7 | -110.5 | -88.7 | -168.3 | 0 | 0 | 108.2 | | |
| 1011 | T | 30.2 | Very low | 28.1 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | 68.9 | 124.7 | -170.8 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1012 | S | 27.3 | Very low | 28.5 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | cis | 80.6 | 113.5 | 13.5 | 100 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1013 | I | 27.1 | Very low | 28.5 | Very low | 142 Ų | 142 | 143 Ų | 143 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | 86.6 | 118.8 | 145.2 | -63.7 | 168.6 | 0 | 0 | 0 | 116.9 | | |
| 1014 | N | 26.6 | Very low | 28.6 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | 68.8 | 168.4 | 154.3 | -66.5 | 9.1 | 0 | 0 | 0 | 117.6 | | |
| 1015 | E | 27.6 | Very low | 28.8 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | cis | -154.9 | 140.8 | 2.7 | -139.9 | 150 | -104.2 | 0 | 0 | 110.5 | | |
| 1016 | E | 30.6 | Very low | 28.8 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -171.3 | 101.2 | 137.8 | -117.1 | -169.1 | 152.9 | 0 | 0 | 114.3 | I1018 | E1016-I1018 HydrophobicContact CG-CD1 3.77Å; E1016-I1018 HydrophobicContact CG-CG1 4.16Å; E1016-I1018 VanDerWaalsContact OE1-CD1 3.23Å; E1016-I1018 WeakPolarHBondContact OE1-CD1 3.34Å |
| 1017 | F | 27.3 | Very low | 28.7 | Very low | 204 Ų | 204 | 153.8 Ų | 153.8 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | trans | -177 | 62.2 | 144.9 | -118 | -76.1 | 0 | 0 | 0 | 107.2 | | |
| 1018 | I | 30.5 | Very low | 28.4 | Very low | 133 Ų | 133 | 151.9 Ų | 151.9 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | | 43.3 | 88.1 | 96.6 | -59.2 | -174.3 | 0 | 0 | 0 | 111.1 | E1016 | E1016-I1018 HydrophobicContact CG-CD1 3.77Å; E1016-I1018 HydrophobicContact CG-CG1 4.16Å; E1016-I1018 VanDerWaalsContact OE1-CD1 3.23Å; E1016-I1018 WeakPolarHBondContact OE1-CD1 3.34Å |
| 1019 | G | 29.2 | Very low | 28.5 | Very low | 63 Ų | 63 | 151.7 Ų | 151.7 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | | | trans | -135.7 | -7.8 | -162.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 1020 | R | 28.6 | Very low | 28.6 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | | | trans | 65.1 | 172.3 | -178.5 | -49.7 | 176.4 | 179.7 | -173.2 | 0.7 | 113.3 | | |
| 1021 | R | 28.2 | Very low | 28.8 | Very low | 216 Ų | 216 | 149.2 Ų | 149.2 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | | | cis | -153.5 | 161.3 | -33.7 | -109.9 | 176.6 | -179.6 | 174.1 | -0.5 | 108.2 | | |
| 1022 | P | 33.3 | Very low | 28.6 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | | | trans | -97.6 | 159.3 | -179.9 | 38.4 | -34.4 | 0 | 0 | 0 | 114 | | |
| 1023 | E | 31.7 | Very low | 28.6 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 64% | 0.64 | 75% | 0.745 | S | S | * | * | | | trans | -142.4 | 119.9 | 149.9 | -82 | -95 | 126.8 | 0 | 0 | 104.4 | | |
| 1024 | R | 28.4 | Very low | 28.6 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | | 71.8 | 138 | 85.4 | -76.1 | 156.4 | 163.5 | -176.2 | -1.3 | 112.3 | | |
| 1025 | K | 28.9 | Very low | 28.5 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | | | cis | -161.9 | 158.5 | 26.7 | -129 | 157.3 | -177.7 | 173.9 | 0 | 113.4 | | |
| 1026 | F | 28.3 | Very low | 28.6 | Very low | 181 Ų | 181 | 155.1 Ų | 155.1 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | 71.4 | 115.3 | 161.4 | -62.5 | -60.4 | 0 | 0 | 0 | 121.8 | | |
| 1027 | H | 25.1 | Very low | 28.4 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | | | trans | -86.8 | -177.2 | 153.9 | -66.5 | -121 | 0 | 0 | 0 | 110.2 | | |
| 1028 | S | 26.3 | Very low | 28.4 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | 66.5 | 144.1 | 142.8 | 51.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1029 | D | 28.3 | Very low | 28.2 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | cis | -165.9 | 170.1 | -5.6 | -103.8 | -20.5 | 0 | 0 | 0 | 109.9 | | |
| 1030 | L | 32.6 | Very low | 28.1 | Very low | 151 Ų | 151 | 158 Ų | 158 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | | | trans | 66.8 | 157.6 | 161.5 | -60.4 | 138 | 0 | 0 | 0 | 118.3 | | |
| 1031 | N | 29.4 | Very low | 28.1 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | | | | -161.8 | 137 | -51.9 | -119.7 | -7.2 | 0 | 0 | 0 | 110 | | |
| 1032 | N | 25.6 | Very low | 28.1 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | trans | 43.5 | 119.6 | 158.2 | -83.1 | -12.2 | 0 | 0 | 0 | 122.3 | | |
| 1033 | I | 26.5 | Very low | 27.8 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | | | trans | 93.9 | 122 | 139.9 | -61.8 | 166.1 | 0 | 0 | 0 | 119.4 | | |
| 1034 | K | 26.9 | Very low | 27.8 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | 75.5 | 98.8 | 158.3 | -81.8 | 173.9 | 180 | -178 | 0 | 121.6 | | |
| 1035 | L | 25.7 | Very low | 27.7 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | | | | 73.4 | 157.7 | 117 | -122.6 | 78.4 | 0 | 0 | 0 | 120.5 | | |
| 1036 | I | 29.2 | Very low | 27.6 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | trans | 72.9 | 132.8 | 173.3 | -57 | 170.2 | 0 | 0 | 0 | 114.5 | | |
| 1037 | D | 25.9 | Very low | 27.5 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | | | cis | -164.6 | 174.1 | -31.8 | -147.2 | -31.5 | 0 | 0 | 0 | 109.8 | | |
| 1038 | F | 27.9 | Very low | 27.7 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 63% | 0.627 | 73% | 0.725 | S | S | * | * | | | trans | 67.1 | 120.4 | 151.5 | -78.2 | -47.6 | 0 | 0 | 0 | 122.3 | | |
| 1039 | R | 26.8 | Very low | 27.8 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | | | trans | 73.8 | 149.4 | 135.6 | -62.2 | 172.1 | -176.2 | -161.4 | -0.8 | 116.6 | | |
| 1040 | R | 27.2 | Very low | 27.7 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 70% | 0.698 | 73% | 0.734 | S | S | * | * | | | cis | -166.3 | 158 | -9 | -106.6 | 168.3 | -178.5 | 176.3 | -2.9 | 104.8 | | |
| 1041 | N | 29.1 | Very low | 27.5 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | cis | -161.4 | 163.8 | 3.3 | -131.9 | 3.4 | 0 | 0 | 0 | 108.6 | | |
| 1042 | S | 27.3 | Very low | 27.5 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | 37.9 | 126.6 | 151.5 | 60.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1043 | M | 27.4 | Very low | 27.5 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | | | cis | -148.1 | -131 | -0.2 | -153 | 171.5 | 74.3 | 0 | 0 | 109.6 | T1045 | M1043-T1045 HydrophobicContact CE-CG2 4.24Å; M1043-T1045 HydrophobicContact SD-CG2 4.46Å |
| 1044 | V | 30.6 | Very low | 27.5 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | | | cis | -138.1 | 151.5 | 12.4 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1045 | T | 26.9 | Very low | 27.4 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 56% | 0.558 | 73% | 0.734 | S | S | * | * | | | trans | -99.9 | 147.1 | -169.4 | 48.5 | 0 | 0 | 0 | 0 | 114.6 | M1043 | M1043-T1045 HydrophobicContact CE-CG2 4.24Å; M1043-T1045 HydrophobicContact SD-CG2 4.46Å |
| 1046 | N | 26.7 | Very low | 27.5 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | 69.6 | 137.2 | 150.4 | -66.6 | 26.5 | 0 | 0 | 0 | 118.2 | | |
| 1047 | D | 27 | Very low | 27.5 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | | | cis | -143 | 140 | 1.1 | -77.8 | -51.3 | 0 | 0 | 0 | 111.7 | | |
| 1048 | K | 28.9 | Very low | 27.4 | Very low | 194 Ų | 194 | 143 Ų | 143 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | | | trans | 171.5 | 136.7 | 134.6 | -96.2 | 151.3 | -170.4 | 162.4 | 0 | 114.8 | | |
| 1049 | S | 27.9 | Very low | 27.5 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | | | trans | 44.1 | 105.9 | 153.1 | 59.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1050 | V | 27 | Very low | 27.3 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | trans | -130.4 | 167.1 | 163.3 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1051 | I | 28.4 | Very low | 27.3 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | 77.8 | 120.9 | -174.7 | -51.1 | -56.1 | 0 | 0 | 0 | 111.9 | | |
| 1052 | I | 28.7 | Very low | 27.2 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | cis | -154.5 | -174.1 | -8.5 | -161 | 155.6 | 0 | 0 | 0 | 110 | | |
| 1053 | Y | 25.2 | Very low | 27.1 | Very low | 204 Ų | 204 | 149 Ų | 149 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | trans | -116.9 | 161.2 | 175.4 | -112.1 | -110.9 | 0 | 0 | 0 | 112.4 | I1055 | Y1053-I1055 HydrophobicContact CD1-CD1 3.96Å; Y1053-I1055 HydrophobicContact CD1-CG1 4.14Å; Y1053-I1055 HydrophobicContact CE1-CD1 3.64Å; Y1053-I1055 HydrophobicContact CE1-CG1 4.33Å |
| 1054 | G | 26.1 | Very low | 27.1 | Very low | 75 Ų | 75 | 147.5 Ų | 147.5 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -164.4 | 103.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1055 | I | 25.1 | Very low | 26.8 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | trans | -138.4 | 117 | 178.8 | -60.6 | 179.8 | 0 | 0 | 0 | 110 | Y1053 | Y1053-I1055 HydrophobicContact CD1-CD1 3.96Å; Y1053-I1055 HydrophobicContact CD1-CG1 4.14Å; Y1053-I1055 HydrophobicContact CE1-CD1 3.64Å; Y1053-I1055 HydrophobicContact CE1-CG1 4.33Å |
| 1056 | E | 29 | Very low | 26.6 | Very low | 154 Ų | 154 | 156 Ų | 156 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | -160.7 | 153 | 152.5 | -79.8 | -145.7 | 127.4 | 0 | 0 | 107.1 | | |
| 1057 | K | 29.1 | Very low | 26.7 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 73% | 0.726 | 78% | 0.779 | S | S | * | * | | | cis | -150.9 | 154.6 | 2.7 | -129.9 | 162.6 | -177.8 | 133.3 | 0 | 109.4 | | |
| 1058 | N | 22.9 | Very low | 26.6 | Very low | 157 Ų | 157 | 156 Ų | 156 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -91.7 | 147.5 | 167.4 | -90.8 | -69.4 | 0 | 0 | 0 | 110.8 | | |
| 1059 | I | 30.7 | Very low | 26.6 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | | | trans | -163.8 | 148.8 | 145.4 | -100.7 | 147.4 | 0 | 0 | 0 | 109 | | |
| 1060 | R | 22.7 | Very low | 26.5 | Very low | 224 Ų | 224 | 157 Ų | 157 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -107.4 | 151.6 | -179.1 | -58.5 | 167.8 | 172.8 | 164.4 | -4.8 | 110.3 | | |
| 1061 | L | 27.3 | Very low | 26.5 | Very low | 167 Ų | 167 | 160.1 Ų | 160.1 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | | -166.2 | 104.4 | 128.5 | -128.5 | 77.2 | 0 | 0 | 0 | 115.7 | | |
| 1062 | V | 25.7 | Very low | 26.4 | Very low | 115 Ų | 115 | 160.6 Ų | 160.6 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | | | | 35.4 | 110.3 | 123.7 | -173.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1063 | K | 25.8 | Very low | 26.3 | Very low | 185 Ų | 185 | 160.1 Ų | 160.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 85.1 | 148.4 | 137 | -86.4 | -179.1 | 176.3 | -179 | 0 | 124.8 | | |
| 1064 | T | 26.5 | Very low | 27 | Very low | 114 Ų | 114 | 155.7 Ų | 155.7 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | 79.9 | 97 | 147.1 | 39.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1065 | Y | 24.2 | Very low | 27.1 | Very low | 198 Ų | 198 | 156.3 Ų | 156.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | | 61.9 | 122 | 129.1 | -79.3 | -57.4 | 0 | 0 | 0 | 123.8 | | |
| 1066 | Y | 24.5 | Very low | 27.4 | Very low | 202 Ų | 202 | 157.9 Ų | 157.9 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | 91.7 | 131.8 | 133.6 | -93.6 | -59.9 | 0 | 0 | 0 | 122.9 | | |
| 1067 | V | 27.4 | Very low | 27.5 | Very low | 126 Ų | 126 | 158.3 Ų | 158.3 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | 78.6 | 136.5 | 160.4 | -176.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1068 | D | 25.3 | Very low | 27.6 | Very low | 141 Ų | 141 | 157.8 Ų | 157.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -81 | 150.3 | -175.2 | -40.8 | -103.2 | 0 | 0 | 0 | 113.8 | | |
| 1069 | T | 29.1 | Very low | 28.2 | Very low | 144 Ų | 144 | 159.7 Ų | 159.7 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | | -177.7 | 164.7 | 114.9 | 24 | 0 | 0 | 0 | 0 | 113 | | |
| 1070 | F | 26.5 | Very low | 28.6 | Very low | 187 Ų | 187 | 159.1 Ų | 159.1 | 82% | 0.82 | 81% | 0.811 | S | S | * | * | | | trans | -78.9 | 142.6 | -178.1 | -71 | -118.6 | 0 | 0 | 0 | 112.6 | | |
| 1071 | F | 27 | Very low | 28.9 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | | | | -172.8 | -170.1 | 99.2 | -112.2 | -80.3 | 0 | 0 | 0 | 112 | | |
| 1072 | E | 25.7 | Very low | 29 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -136.6 | 174.6 | -152.1 | -161.1 | -169.9 | -172.3 | 0 | 0 | 112.7 | | |
| 1073 | I | 27.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 157.5 Ų | 157.5 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | | | trans | 73.6 | 163.7 | 162.3 | 10.1 | -179.8 | 0 | 0 | 0 | 118.1 | | |
| 1074 | P | 38.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 155.9 Ų | 155.9 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | | | | -138.5 | -173.6 | -107.8 | 45.1 | -26.6 | 0 | 0 | 0 | 117.6 | | |
| 1075 | S | 29.5 | Very low | 29.5 | Very low | 89 Ų | 89 | 158.5 Ų | 158.5 | 62% | 0.622 | 82% | 0.819 | S | S | * | * | | | | 137.8 | 160.3 | 116.7 | -149.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1076 | F | 30 | Very low | 29.9 | Very low | 170 Ų | 170 | 155.9 Ų | 155.9 | 75% | 0.746 | 82% | 0.822 | S | S | * | * | | | trans | 82.6 | 99 | 151.6 | -71.3 | -54.9 | 0 | 0 | 0 | 124.4 | | |
| 1077 | K | 32.9 | Very low | 30.3 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 71% | 0.709 | 82% | 0.824 | S | S | * | * | | | | 77.6 | 111.8 | 116.3 | -95.2 | -178.2 | 179.8 | 177.6 | 0 | 123.2 | | |
| 1078 | H | 30.9 | Very low | 30.5 | Very low | 156 Ų | 156 | 154.6 Ų | 154.6 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | | | | 94.5 | 138.2 | 116.9 | -97.2 | -32.8 | 0 | 0 | 0 | 123.6 | | |
| 1079 | K | 34.3 | Very low | 30.9 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 85% | 0.852 | 83% | 0.834 | S | S | * | * | | | trans | 73.5 | 101.4 | 151.4 | -72.5 | -171 | 174.5 | -171 | 0 | 118.6 | | |
| 1080 | G | 39.8 | Very low | 31.1 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 100% | 1.608 | 83% | 0.83 | S | S | * | * | | | trans | -137.2 | 0 | 141.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |