| 1 | M | 55 | Low | 77.7 | Confident | 204 Ų | 204 | 119.5 Ų | 119.5 | 100% | 1.005 | 63% | 0.63 | S | S | * | * | | | | 0 | 91.9 | 0 | -97.2 | 63.4 | 177.3 | 0 | 0 | 107.1 | I3 | M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 2.65Å; M1-I3 VanDerWaalsContact O-N 3.11Å |
| 2 | D | 62.2 | Low | 79 | Confident | 138 Ų | 138 | 117.7 Ų | 117.7 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | | | trans | -101.5 | 68.8 | -154.9 | -61.4 | -95.8 | 0 | 0 | 0 | 108 | Y4 D5 | D2-Y4 PolarHBondContact O-N 2.74Å; D2-D5 PolarHBondContact O-N 3.22Å |
| 3 | I | 64.8 | Low | 80.1 | Confident | 128 Ų | 128 | 115.7 Ų | 115.7 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -13.4 | -175 | -61.9 | 167.5 | 0 | 0 | 0 | 111.8 | M1 | M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 2.65Å; M1-I3 VanDerWaalsContact O-N 3.11Å |
| 4 | Y | 71.4 | Confident | 81.1 | Confident | 205 Ų | 205 | 116.9 Ų | 116.9 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 9.4 | 177.9 | -64.4 | -76.8 | 0 | 0 | 0 | 114.7 | D2 T6 | D2-Y4 PolarHBondContact O-N 2.74Å; Y4-T6 PolarHBondContact O-N 2.69Å |
| 5 | D | 84.2 | Confident | 82.1 | Confident | 68 Ų | 68 | 111.3 Ų | 111.3 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | | | trans | -54.6 | 124.9 | 166.5 | 160.2 | 47.7 | 0 | 0 | 0 | 110.3 | D2 Q7 T8 L9 | D2-D5 PolarHBondContact O-N 3.22Å; D5-Q7 PolarHBondContact O-N 2.77Å; D5-Q7 PolarHBondContact OD1-N 3.38Å; D5-Q7 VanDerWaalsContact OD1-N 3.09Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.23Å; D5-T8 PolarHBondContact O-N 2.67Å; D5-T8 VanDerWaalsContact OD2-CB 3.29Å; D5-T8 WeakPolarHBondContact OD2-CB 3.47Å; D5-T8 PolarHBondContact OD2-N 3.19Å; D5-T8 PolarHBondContact OD2-OG1 3.11Å; D5-L9 WeakPolarHBondContact O-CB 3.39Å; D5-L9 PolarHBondContact O-N 3.26Å |
| 6 | T | 82.2 | Confident | 83 | Confident | 117 Ų | 117 | 106.6 Ų | 106.6 | 72% | 0.718 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.4 | -30.9 | -176.5 | -55.3 | 0 | 0 | 0 | 0 | 112.4 | Y4 G10 | Y4-T6 PolarHBondContact O-N 2.69Å; T6-G10 PolarHBondContact O-N 3.27Å |
| 7 | Q | 82 | Confident | 83.8 | Confident | 154 Ų | 154 | 108.4 Ų | 108.4 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.7 | -48.4 | 175.5 | -177.6 | 177.4 | 104.7 | 0 | 0 | 110.8 | D5 G10 V11 | D5-Q7 PolarHBondContact O-N 2.77Å; D5-Q7 PolarHBondContact OD1-N 3.38Å; D5-Q7 VanDerWaalsContact OD1-N 3.09Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.23Å; Q7-G10 PolarHBondContact O-N 3.02Å; Q7-V11 WeakPolarHBondContact O-CG2 3.35Å; Q7-V11 PolarHBondContact O-N 3.27Å |
| 8 | T | 84.7 | Confident | 84.5 | Confident | 71 Ų | 71 | 108.1 Ų | 108.1 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.1 | -46.4 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | D5 G10 V11 V12 | D5-T8 PolarHBondContact O-N 2.67Å; D5-T8 VanDerWaalsContact OD2-CB 3.29Å; D5-T8 WeakPolarHBondContact OD2-CB 3.47Å; D5-T8 PolarHBondContact OD2-N 3.19Å; D5-T8 PolarHBondContact OD2-OG1 3.11Å; T8-G10 VanDerWaalsContact C-N 3.32Å; T8-G10 PolarHBondContact O-N 3.45Å; T8-V11 PolarHBondContact O-N 3.02Å; T8-V12 WeakPolarHBondContact O-CG2 3.43Å; T8-V12 PolarHBondContact O-N 3.31Å |
| 9 | L | 87.9 | Confident | 85.2 | Confident | 89 Ų | 89 | 107.1 Ų | 107.1 | 47% | 0.466 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.5 | -42.1 | 175.1 | -172.1 | 70.8 | 0 | 0 | 0 | 111.4 | D5 V12 V13 | D5-L9 WeakPolarHBondContact O-CB 3.39Å; D5-L9 PolarHBondContact O-N 3.26Å; L9-V12 PolarHBondContact O-N 3.08Å; L9-V13 HydrophobicContact CG-CG2 4.47Å; L9-V13 WeakPolarHBondContact O-CB 3.2Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 2.86Å |
| 10 | G | 90.7 | Very high | 85.8 | Confident | 40 Ų | 40 | 106.7 Ų | 106.7 | 41% | 0.412 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.1 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T6 Q7 T8 F14 | T6-G10 PolarHBondContact O-N 3.27Å; Q7-G10 PolarHBondContact O-N 3.02Å; T8-G10 VanDerWaalsContact C-N 3.32Å; T8-G10 PolarHBondContact O-N 3.45Å; G10-F14 WeakPolarHBondContact O-CB 3.44Å; G10-F14 PolarHBondContact O-N 3.42Å |
| 11 | V | 90 | Very high | 86.3 | Confident | 101 Ų | 101 | 103.4 Ų | 103.4 | 61% | 0.612 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.4 | -42.2 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | Q7 T8 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.35Å; Q7-V11 PolarHBondContact O-N 3.27Å; T8-V11 PolarHBondContact O-N 3.02Å; V11-G15 PolarHBondContact O-N 2.81Å |
| 12 | V | 92.5 | Very high | 88.3 | Confident | 97 Ų | 97 | 96.5 Ų | 96.5 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | T8 L9 G16 | T8-V12 WeakPolarHBondContact O-CG2 3.43Å; T8-V12 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.08Å; V12-G16 PolarHBondContact O-N 3.33Å |
| 13 | V | 93.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 56% | 0.558 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.9 | -44.2 | 178 | 172 | 0 | 0 | 0 | 0 | 111.3 | L9 F17 | L9-V13 HydrophobicContact CG-CG2 4.47Å; L9-V13 WeakPolarHBondContact O-CB 3.2Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 2.86Å; V13-F17 VanDerWaalsContact O-CB 3.26Å; V13-F17 WeakPolarHBondContact O-CB 3.42Å; V13-F17 PolarHBondContact O-N 3.16Å |
| 14 | F | 93.5 | Very high | 91.4 | Very high | 133 Ų | 133 | 89.8 Ų | 89.8 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.2 | -43.8 | 178.7 | -176.7 | -102.2 | 0 | 0 | 0 | 112.1 | G10 F17 M18 | G10-F14 WeakPolarHBondContact O-CB 3.44Å; G10-F14 PolarHBondContact O-N 3.42Å; F14-F17 PolarHBondContact O-N 2.93Å; F14-M18 HydrophobicContact CD1-CG 4.36Å; F14-M18 HydrophobicContact CE1-CE 3.85Å; F14-M18 HydrophobicContact CE1-CG 4.11Å; F14-M18 HydrophobicContact CE2-CE 4.09Å; F14-M18 HydrophobicContact CZ-CE 3.38Å; F14-M18 HydrophobicContact CZ-CG 4.32Å; F14-M18 WeakPolarHBondContact O-CB 3.4Å; F14-M18 WeakPolarHBondContact O-CG 3.21Å; F14-M18 PolarHBondContact O-N 3.04Å |
| 15 | G | 96.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 85.4 Ų | 85.4 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V11 M18 V19 | V11-G15 PolarHBondContact O-N 2.81Å; G15-M18 PolarHBondContact O-N 2.91Å; G15-V19 WeakPolarHBondContact O-CG2 3.4Å; G15-V19 PolarHBondContact O-N 2.82Å |
| 16 | G | 97.2 | Very high | 93 | Very high | 36 Ų | 36 | 88.9 Ų | 88.9 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V12 V19 V20 | V12-G16 PolarHBondContact O-N 3.33Å; G16-V19 PolarHBondContact O-N 3.01Å; G16-V20 WeakPolarHBondContact O-CB 3.23Å; G16-V20 VanDerWaalsContact O-CG2 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.5Å; G16-V20 PolarHBondContact O-N 3.1Å |
| 17 | F | 96.4 | Very high | 93.5 | Very high | 137 Ų | 137 | 87.4 Ų | 87.4 | 60% | 0.601 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 175.9 | -176.9 | -97.5 | 0 | 0 | 0 | 112.4 | V13 F14 V20 S21 | V13-F17 VanDerWaalsContact O-CB 3.26Å; V13-F17 WeakPolarHBondContact O-CB 3.42Å; V13-F17 PolarHBondContact O-N 3.16Å; F14-F17 PolarHBondContact O-N 2.93Å; F17-V20 PolarHBondContact O-N 3.11Å; F17-S21 VanDerWaalsContact O-CB 3.22Å; F17-S21 WeakPolarHBondContact O-CB 2.93Å; F17-S21 PolarHBondContact O-N 3.37Å; F17-S21 PolarHBondContact O-OG 3.42Å |
| 18 | M | 96.7 | Very high | 94 | Very high | 103 Ų | 103 | 84.6 Ų | 84.6 | 51% | 0.507 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 173.6 | -83.8 | -74 | -172.5 | 0 | 0 | 111.7 | F14 G15 S21 A22 | F14-M18 HydrophobicContact CD1-CG 4.36Å; F14-M18 HydrophobicContact CE1-CE 3.85Å; F14-M18 HydrophobicContact CE1-CG 4.11Å; F14-M18 HydrophobicContact CE2-CE 4.09Å; F14-M18 HydrophobicContact CZ-CE 3.38Å; F14-M18 HydrophobicContact CZ-CG 4.32Å; F14-M18 WeakPolarHBondContact O-CB 3.4Å; F14-M18 WeakPolarHBondContact O-CG 3.21Å; F14-M18 PolarHBondContact O-N 3.04Å; G15-M18 PolarHBondContact O-N 2.91Å; M18-S21 PolarHBondContact O-N 3.48Å; M18-A22 WeakPolarHBondContact O-CB 3.32Å; M18-A22 PolarHBondContact O-N 2.77Å |
| 19 | V | 97.5 | Very high | 94.2 | Very high | 88 Ų | 88 | 84.2 Ų | 84.2 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 179.2 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.4Å; G15-V19 PolarHBondContact O-N 2.82Å; G16-V19 PolarHBondContact O-N 3.01Å; V19-S21 VanDerWaalsContact C-N 3.33Å; V19-S21 PolarHBondContact O-N 3Å; V19-A22 PolarHBondContact O-N 3.32Å; V19-I23 HydrophobicContact CG1-CD1 3.79Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3.37Å; V19-I23 PolarHBondContact O-N 2.95Å |
| 20 | V | 97.1 | Very high | 94.2 | Very high | 100 Ų | 100 | 82.6 Ų | 82.6 | 61% | 0.606 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -38 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | G16 F17 G24 | G16-V20 WeakPolarHBondContact O-CB 3.23Å; G16-V20 VanDerWaalsContact O-CG2 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.5Å; G16-V20 PolarHBondContact O-N 3.1Å; F17-V20 PolarHBondContact O-N 3.11Å; V20-G24 PolarHBondContact O-N 3.36Å |
| 21 | S | 96.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 86.7 Ų | 86.7 | 27% | 0.266 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | F17 M18 V19 G24 I25 | F17-S21 VanDerWaalsContact O-CB 3.22Å; F17-S21 WeakPolarHBondContact O-CB 2.93Å; F17-S21 PolarHBondContact O-N 3.37Å; F17-S21 PolarHBondContact O-OG 3.42Å; M18-S21 PolarHBondContact O-N 3.48Å; V19-S21 VanDerWaalsContact C-N 3.33Å; V19-S21 PolarHBondContact O-N 3Å; S21-G24 PolarHBondContact O-N 3.28Å; S21-I25 WeakPolarHBondContact O-CB 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.29Å; S21-I25 WeakPolarHBondContact O-CG1 3.47Å; S21-I25 PolarHBondContact O-N 3.1Å |
| 22 | A | 96.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 85.1 Ų | 85.1 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M18 V19 F26 | M18-A22 WeakPolarHBondContact O-CB 3.32Å; M18-A22 PolarHBondContact O-N 2.77Å; V19-A22 PolarHBondContact O-N 3.32Å; A22-F26 VanDerWaalsContact O-CB 3.23Å; A22-F26 WeakPolarHBondContact O-CB 3.35Å; A22-F26 PolarHBondContact O-N 3.47Å |
| 23 | I | 96.7 | Very high | 92.1 | Very high | 92 Ų | 92 | 87.9 Ų | 87.9 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 173.7 | -67.4 | 165.9 | 0 | 0 | 0 | 110.7 | V19 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.79Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3.37Å; V19-I23 PolarHBondContact O-N 2.95Å; I23-F26 PolarHBondContact O-N 3.28Å; I23-L27 HydrophobicContact CG2-CD1 3.84Å; I23-L27 HydrophobicContact CG2-CG 4.26Å; I23-L27 WeakPolarHBondContact O-CB 3.25Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 2.89Å |
| 24 | G | 96.5 | Very high | 90.5 | Very high | 32 Ų | 32 | 90.4 Ų | 90.4 | 33% | 0.33 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | V20 S21 L27 V28 | V20-G24 PolarHBondContact O-N 3.36Å; S21-G24 PolarHBondContact O-N 3.28Å; G24-L27 PolarHBondContact O-N 3.08Å; G24-V28 WeakPolarHBondContact O-CB 3.46Å; G24-V28 WeakPolarHBondContact O-CG2 3.18Å; G24-V28 PolarHBondContact O-N 2.92Å |
| 25 | I | 94.3 | Very high | 88.9 | Confident | 113 Ų | 113 | 90.9 Ų | 90.9 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 176.4 | -66.1 | 164.3 | 0 | 0 | 0 | 110.8 | S21 V28 S29 | S21-I25 WeakPolarHBondContact O-CB 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.29Å; S21-I25 WeakPolarHBondContact O-CG1 3.47Å; S21-I25 PolarHBondContact O-N 3.1Å; I25-V28 PolarHBondContact O-N 3.32Å; I25-S29 WeakPolarHBondContact O-CB 3.35Å; I25-S29 PolarHBondContact O-N 3.43Å; I25-S29 PolarHBondContact O-OG 3.42Å |
| 26 | F | 93.7 | Very high | 86.9 | Confident | 141 Ų | 141 | 93.9 Ų | 93.9 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 176.2 | 179.7 | -95.7 | 0 | 0 | 0 | 111.8 | A22 I23 S29 T30 | A22-F26 VanDerWaalsContact O-CB 3.23Å; A22-F26 WeakPolarHBondContact O-CB 3.35Å; A22-F26 PolarHBondContact O-N 3.47Å; I23-F26 PolarHBondContact O-N 3.28Å; F26-S29 PolarHBondContact O-N 3.39Å; F26-T30 HydrophobicContact CE1-CG2 4.44Å; F26-T30 WeakPolarHBondContact O-CB 3.34Å; F26-T30 WeakPolarHBondContact O-CG2 3.25Å; F26-T30 PolarHBondContact O-N 3.41Å |
| 27 | L | 93.7 | Very high | 85.3 | Confident | 86 Ų | 86 | 95.6 Ų | 95.6 | 45% | 0.45 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 176.4 | -73.4 | 174.2 | 0 | 0 | 0 | 111.9 | I23 G24 S29 T30 F31 | I23-L27 HydrophobicContact CG2-CD1 3.84Å; I23-L27 HydrophobicContact CG2-CG 4.26Å; I23-L27 WeakPolarHBondContact O-CB 3.25Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 2.89Å; G24-L27 PolarHBondContact O-N 3.08Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 2.63Å; L27-T30 PolarHBondContact O-N 3.37Å; L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 WeakPolarHBondContact O-CD2 3.29Å; L27-F31 PolarHBondContact O-N 3.31Å |
| 28 | V | 90.8 | Very high | 83.6 | Confident | 95 Ų | 95 | 97.7 Ų | 97.7 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | G24 I25 S32 | G24-V28 WeakPolarHBondContact O-CB 3.46Å; G24-V28 WeakPolarHBondContact O-CG2 3.18Å; G24-V28 PolarHBondContact O-N 2.92Å; I25-V28 PolarHBondContact O-N 3.32Å; V28-S32 VanDerWaalsContact O-CB 3.25Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 2.88Å; V28-S32 PolarHBondContact O-OG 3.14Å |
| 29 | S | 89.6 | Confident | 82.2 | Confident | 63 Ų | 63 | 99.6 Ų | 99.6 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 179.2 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | I25 F26 L27 S32 M33 | I25-S29 WeakPolarHBondContact O-CB 3.35Å; I25-S29 PolarHBondContact O-N 3.43Å; I25-S29 PolarHBondContact O-OG 3.42Å; F26-S29 PolarHBondContact O-N 3.39Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 2.63Å; S29-S32 PolarHBondContact O-N 3.25Å; S29-M33 WeakPolarHBondContact O-CB 3.37Å; S29-M33 PolarHBondContact O-N 3.2Å |
| 30 | T | 87.7 | Confident | 80.6 | Confident | 56 Ų | 56 | 100.5 Ų | 100.5 | 34% | 0.344 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.1 | -30.7 | -179.3 | -157.5 | 0 | 0 | 0 | 0 | 112.3 | F26 L27 K34 | F26-T30 HydrophobicContact CE1-CG2 4.44Å; F26-T30 WeakPolarHBondContact O-CB 3.34Å; F26-T30 WeakPolarHBondContact O-CG2 3.25Å; F26-T30 PolarHBondContact O-N 3.41Å; L27-T30 PolarHBondContact O-N 3.37Å; T30-K34 PolarHBondContact O-N 2.94Å; T30-K34 VanDerWaalsContact O-N 3.14Å |
| 31 | F | 81.8 | Confident | 79.2 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 55% | 0.553 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.4 | -46.7 | 168.8 | -91 | -94.6 | 0 | 0 | 0 | 112 | L27 M33 K34 E35 | L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 WeakPolarHBondContact O-CD2 3.29Å; L27-F31 PolarHBondContact O-N 3.31Å; F31-M33 PolarHBondContact O-N 3.41Å; F31-K34 CarbonylContact O-C 3.49Å; F31-K34 WeakPolarHBondContact O-CA 3.35Å; F31-K34 WeakPolarHBondContact O-CB 3.21Å; F31-K34 PolarHBondContact O-N 2.86Å; F31-E35 VanDerWaalsContact O-CG 3.25Å; F31-E35 WeakPolarHBondContact O-CG 3.31Å; F31-E35 PolarHBondContact O-N 2.87Å |
| 32 | S | 79.3 | Confident | 77.8 | Confident | 68 Ų | 68 | 100.5 Ų | 100.5 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.7 | -37 | 176 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | V28 S29 K34 E35 | V28-S32 VanDerWaalsContact O-CB 3.25Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 2.88Å; V28-S32 PolarHBondContact O-OG 3.14Å; S29-S32 PolarHBondContact O-N 3.25Å; S32-K34 VanDerWaalsContact C-N 3.28Å; S32-K34 PolarHBondContact O-N 3.47Å; S32-E35 PolarHBondContact O-N 2.66Å |
| 33 | M | 67.6 | Low | 76.7 | Confident | 155 Ų | 155 | 99 Ų | 99 | 76% | 0.764 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.6 | -10 | 174.6 | -167.8 | 172.5 | 178.5 | 0 | 0 | 113.6 | S29 F31 T36 | S29-M33 WeakPolarHBondContact O-CB 3.37Å; S29-M33 PolarHBondContact O-N 3.2Å; F31-M33 PolarHBondContact O-N 3.41Å; M33-T36 PolarHBondContact O-OG1 3.49Å |
| 34 | K | 61.4 | Low | 75.5 | Confident | 144 Ų | 144 | 97.8 Ų | 97.8 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -91.7 | -28.7 | 165.2 | -92.6 | -177.3 | 170.6 | -179.5 | 0 | 112.9 | T30 F31 S32 T36 S37 | T30-K34 PolarHBondContact O-N 2.94Å; T30-K34 VanDerWaalsContact O-N 3.14Å; F31-K34 CarbonylContact O-C 3.49Å; F31-K34 WeakPolarHBondContact O-CA 3.35Å; F31-K34 WeakPolarHBondContact O-CB 3.21Å; F31-K34 PolarHBondContact O-N 2.86Å; S32-K34 VanDerWaalsContact C-N 3.28Å; S32-K34 PolarHBondContact O-N 3.47Å; K34-T36 VanDerWaalsContact C-N 3.28Å; K34-T36 PolarHBondContact O-N 2.92Å; K34-S37 WeakPolarHBondContact O-CA 3.44Å; K34-S37 WeakPolarHBondContact O-CB 3.3Å; K34-S37 PolarHBondContact O-N 3.39Å |
| 35 | E | 58.9 | Low | 74.4 | Confident | 144 Ų | 144 | 101.4 Ų | 101.4 | 67% | 0.673 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -27.8 | -178 | -59.6 | -135.7 | 119.1 | 0 | 0 | 112.5 | F31 S32 S37 Y38 | F31-E35 VanDerWaalsContact O-CG 3.25Å; F31-E35 WeakPolarHBondContact O-CG 3.31Å; F31-E35 PolarHBondContact O-N 2.87Å; S32-E35 PolarHBondContact O-N 2.66Å; E35-S37 PolarHBondContact O-N 2.87Å; E35-Y38 PolarHBondContact O-N 2.81Å |
| 36 | T | 55.4 | Low | 73.3 | Confident | 95 Ų | 95 | 104.2 Ų | 104.2 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.5 | -28.4 | 166.6 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | M33 K34 E40 | M33-T36 PolarHBondContact O-OG1 3.49Å; K34-T36 VanDerWaalsContact C-N 3.28Å; K34-T36 PolarHBondContact O-N 2.92Å; T36-E40 WeakPolarHBondContact O-CB 3.49Å; T36-E40 PolarHBondContact O-N 2.69Å; T36-E40 VanDerWaalsContact O-N 3.1Å |
| 37 | S | 64.1 | Low | 72.5 | Confident | 72 Ų | 72 | 102.6 Ų | 102.6 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.8 | -28.1 | 179.7 | -170.1 | 0 | 0 | 0 | 0 | 113 | K34 E35 E40 A41 | K34-S37 WeakPolarHBondContact O-CA 3.44Å; K34-S37 WeakPolarHBondContact O-CB 3.3Å; K34-S37 PolarHBondContact O-N 3.39Å; E35-S37 PolarHBondContact O-N 2.87Å; S37-E40 PolarHBondContact O-N 2.83Å; S37-A41 WeakPolarHBondContact O-CB 3.26Å; S37-A41 PolarHBondContact O-N 2.83Å |
| 38 | Y | 58.9 | Low | 71 | Confident | 181 Ų | 181 | 105.1 Ų | 105.1 | 71% | 0.71 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.1 | -39.5 | 176.3 | -166.7 | -96.9 | 0 | 0 | 0 | 111.8 | E35 A41 L42 | E35-Y38 PolarHBondContact O-N 2.81Å; Y38-A41 PolarHBondContact O-N 3.41Å; Y38-L42 HydrophobicContact CD1-CD1 4.5Å; Y38-L42 HydrophobicContact CE1-CD1 3.99Å; Y38-L42 PolarHBondContact O-N 2.93Å |
| 39 | E | 68.1 | Low | 69.4 | Low | 143 Ų | 143 | 105.3 Ų | 105.3 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.1 | -48.6 | 168.9 | -126.5 | -74.8 | 127.5 | 0 | 0 | 110.4 | A41 L42 A43 | E39-A41 VanDerWaalsContact C-N 3.35Å; E39-A41 PolarHBondContact O-N 3.32Å; E39-L42 PolarHBondContact O-N 3.32Å; E39-A43 WeakPolarHBondContact O-CB 3.29Å; E39-A43 PolarHBondContact O-N 2.86Å |
| 40 | E | 64.1 | Low | 68.2 | Low | 108 Ų | 108 | 105 Ų | 105 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -36.8 | 178.3 | -179.8 | 166.6 | -164.4 | 0 | 0 | 113.1 | T36 S37 A43 N44 | T36-E40 WeakPolarHBondContact O-CB 3.49Å; T36-E40 PolarHBondContact O-N 2.69Å; T36-E40 VanDerWaalsContact O-N 3.1Å; S37-E40 PolarHBondContact O-N 2.83Å; E40-A43 PolarHBondContact O-N 3.45Å; E40-N44 WeakPolarHBondContact CG-ND2 3.23Å; E40-N44 VanDerWaalsContact O-CB 3.32Å; E40-N44 WeakPolarHBondContact O-CB 3.38Å; E40-N44 PolarHBondContact O-N 3.39Å; E40-N44 PolarHBondContact OE1-ND2 2.84Å; E40-N44 VanDerWaalsContact OE1-ND2 3.08Å |
| 41 | A | 67 | Low | 66.8 | Low | 57 Ų | 57 | 109.6 Ų | 109.6 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S37 Y38 E39 A43 N44 Q45 | S37-A41 WeakPolarHBondContact O-CB 3.26Å; S37-A41 PolarHBondContact O-N 2.83Å; Y38-A41 PolarHBondContact O-N 3.41Å; E39-A41 VanDerWaalsContact C-N 3.35Å; E39-A41 PolarHBondContact O-N 3.32Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-N44 PolarHBondContact O-N 2.86Å; A41-Q45 WeakPolarHBondContact O-CB 3.32Å; A41-Q45 PolarHBondContact O-N 3.27Å |
| 42 | L | 67.6 | Low | 65.6 | Low | 81 Ų | 81 | 108.3 Ų | 108.3 | 42% | 0.424 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 173.9 | -107.3 | 98.2 | 0 | 0 | 0 | 111.9 | Y38 E39 R46 | Y38-L42 HydrophobicContact CD1-CD1 4.5Å; Y38-L42 HydrophobicContact CE1-CD1 3.99Å; Y38-L42 PolarHBondContact O-N 2.93Å; E39-L42 PolarHBondContact O-N 3.32Å; L42-R46 WeakPolarHBondContact O-CG 3.43Å; L42-R46 PolarHBondContact O-N 2.92Å; L42-R46 VanDerWaalsContact O-N 3.11Å |
| 43 | A | 72.7 | Confident | 64.4 | Low | 28 Ų | 28 | 112.2 Ų | 112.2 | 23% | 0.231 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -66.5 | -38.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E39 E40 A41 K47 | E39-A43 WeakPolarHBondContact O-CB 3.29Å; E39-A43 PolarHBondContact O-N 2.86Å; E40-A43 PolarHBondContact O-N 3.45Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A43-K47 WeakPolarHBondContact O-CB 3.22Å; A43-K47 WeakPolarHBondContact O-CG 3.33Å; A43-K47 PolarHBondContact O-N 2.73Å |
| 44 | N | 73 | Confident | 63.6 | Low | 65 Ų | 65 | 110.5 Ų | 110.5 | 35% | 0.348 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.4 | -40.4 | 178.3 | -78.7 | -24.3 | 0 | 0 | 0 | 111.7 | E40 A41 R46 K47 E48 | E40-N44 WeakPolarHBondContact CG-ND2 3.23Å; E40-N44 VanDerWaalsContact O-CB 3.32Å; E40-N44 WeakPolarHBondContact O-CB 3.38Å; E40-N44 PolarHBondContact O-N 3.39Å; E40-N44 PolarHBondContact OE1-ND2 2.84Å; E40-N44 VanDerWaalsContact OE1-ND2 3.08Å; A41-N44 PolarHBondContact O-N 2.86Å; N44-R46 VanDerWaalsContact C-N 3.3Å; N44-R46 PolarHBondContact O-N 2.87Å; N44-K47 CarbonylContact O-C 3.6Å; N44-K47 PolarHBondContact O-N 3.4Å; N44-K47 VanDerWaalsContact O-N 3.1Å; N44-E48 WeakPolarHBondContact O-CB 3.36Å; N44-E48 PolarHBondContact O-N 2.87Å |
| 45 | Q | 73.3 | Confident | 63 | Low | 109 Ų | 109 | 112.4 Ų | 112.4 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.5 | -40 | 174.1 | -159.8 | -90.5 | -18.8 | 0 | 0 | 111.4 | A41 M49 | A41-Q45 WeakPolarHBondContact O-CB 3.32Å; A41-Q45 PolarHBondContact O-N 3.27Å; Q45-M49 WeakPolarHBondContact O-CG 3.16Å; Q45-M49 PolarHBondContact O-N 3.48Å |
| 46 | R | 71.4 | Confident | 62.2 | Low | 171 Ų | 171 | 115 Ų | 115 | 65% | 0.645 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.5 | -43.2 | 170.2 | -73.5 | 176.8 | 174.2 | 177 | -0.3 | 113.4 | L42 N44 E48 A50 | L42-R46 WeakPolarHBondContact O-CG 3.43Å; L42-R46 PolarHBondContact O-N 2.92Å; L42-R46 VanDerWaalsContact O-N 3.11Å; N44-R46 VanDerWaalsContact C-N 3.3Å; N44-R46 PolarHBondContact O-N 2.87Å; R46-E48 VanDerWaalsContact C-N 3.32Å; R46-E48 PolarHBondContact O-N 2.86Å; R46-A50 WeakPolarHBondContact O-CB 3.38Å; R46-A50 PolarHBondContact O-N 2.86Å |
| 47 | K | 75 | Confident | 61.7 | Low | 107 Ų | 107 | 113 Ų | 113 | 47% | 0.465 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.4 | -35 | 177.4 | -77 | 165 | -174.1 | 165.8 | 0 | 112.3 | A43 N44 K51 | A43-K47 WeakPolarHBondContact O-CB 3.22Å; A43-K47 WeakPolarHBondContact O-CG 3.33Å; A43-K47 PolarHBondContact O-N 2.73Å; N44-K47 CarbonylContact O-C 3.6Å; N44-K47 PolarHBondContact O-N 3.4Å; N44-K47 VanDerWaalsContact O-N 3.1Å; K47-K51 WeakPolarHBondContact O-CB 3.46Å; K47-K51 WeakPolarHBondContact O-CG 3.29Å; K47-K51 PolarHBondContact O-N 2.95Å |
| 48 | E | 63.2 | Low | 60.6 | Low | 139 Ų | 139 | 117 Ų | 117 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.8 | -52 | 178.8 | -166.4 | 177.1 | 147.3 | 0 | 0 | 110.7 | N44 R46 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.36Å; N44-E48 PolarHBondContact O-N 2.87Å; R46-E48 VanDerWaalsContact C-N 3.32Å; R46-E48 PolarHBondContact O-N 2.86Å; E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 3.34Å; E48-K51 PolarHBondContact O-N 3.4Å; E48-K51 VanDerWaalsContact O-N 3.16Å; E48-T52 PolarHBondContact O-N 2.89Å; E48-T52 PolarHBondContact O-OG1 2.89Å; E48-T52 VanDerWaalsContact O-OG1 3.11Å |
| 49 | M | 57.6 | Low | 59.9 | Low | 100 Ų | 100 | 118.5 Ų | 118.5 | 49% | 0.493 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.4 | -38.6 | 174.6 | -66.6 | -172.2 | -63.2 | 0 | 0 | 112.5 | Q45 T52 H53 | Q45-M49 WeakPolarHBondContact O-CG 3.16Å; Q45-M49 PolarHBondContact O-N 3.48Å; M49-T52 WeakPolarHBondContact CA-OG1 3.38Å; M49-T52 PolarHBondContact O-OG1 3.4Å; M49-H53 PolarHBondContact O-N 2.78Å |
| 50 | A | 63.1 | Low | 58.8 | Low | 57 Ų | 57 | 121.5 Ų | 121.5 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.4 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | R46 E48 H53 H54 | R46-A50 WeakPolarHBondContact O-CB 3.38Å; R46-A50 PolarHBondContact O-N 2.86Å; E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 3.34Å; A50-H53 PolarHBondContact O-N 3.34Å; A50-H54 PolarHBondContact O-N 2.93Å |
| 51 | K | 60.1 | Low | 57.9 | Low | 151 Ų | 151 | 126.1 Ų | 126.1 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.7 | -37.5 | 178.6 | -77.2 | 170 | -179.7 | 179.5 | 0 | 112.3 | K47 E48 H53 | K47-K51 WeakPolarHBondContact O-CB 3.46Å; K47-K51 WeakPolarHBondContact O-CG 3.29Å; K47-K51 PolarHBondContact O-N 2.95Å; E48-K51 PolarHBondContact O-N 3.4Å; E48-K51 VanDerWaalsContact O-N 3.16Å; K51-H53 PolarHBondContact O-N 2.88Å |
| 52 | T | 56 | Low | 56.7 | Low | 100 Ų | 100 | 133.4 Ų | 133.4 | 61% | 0.613 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.8 | -25.3 | 173.3 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | E48 M49 | E48-T52 PolarHBondContact O-N 2.89Å; E48-T52 PolarHBondContact O-OG1 2.89Å; E48-T52 VanDerWaalsContact O-OG1 3.11Å; M49-T52 WeakPolarHBondContact CA-OG1 3.38Å; M49-T52 PolarHBondContact O-OG1 3.4Å |
| 53 | H | 53 | Low | 55.5 | Low | 149 Ų | 149 | 139 Ų | 139 | 69% | 0.69 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -82 | -48.2 | 176.1 | -164.8 | -101.2 | 0 | 0 | 0 | 112.6 | M49 A50 K51 Q55 K56 | M49-H53 PolarHBondContact O-N 2.78Å; A50-H53 PolarHBondContact O-N 3.34Å; K51-H53 PolarHBondContact O-N 2.88Å; H53-Q55 VanDerWaalsContact C-N 3.32Å; H53-Q55 PolarHBondContact O-N 3.2Å; H53-K56 PolarHBondContact O-N 2.98Å |
| 54 | H | 51 | Low | 54 | Low | 120 Ų | 120 | 147.2 Ų | 147.2 | 56% | 0.556 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -63.6 | -32.6 | -173.1 | -116.8 | -88.6 | 0 | 0 | 0 | 114.1 | A50 K56 G57 E58 | A50-H54 PolarHBondContact O-N 2.93Å; H54-K56 PolarHBondContact O-N 2.84Å; H54-K56 VanDerWaalsContact O-N 3.08Å; H54-G57 PolarHBondContact O-N 3.26Å; H54-E58 IonicContact CE1-OE2 2.74Å; H54-E58 PolarHBondContact CE1-OE2 3.01Å; H54-E58 IonicContact ND1-OE2 2.69Å; H54-E58 PolarHBondContact ND1-OE2 2.83Å |
| 55 | Q | 49.3 | Very low | 52.9 | Low | 184 Ų | 184 | 150.5 Ų | 150.5 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -9.7 | -177.5 | -143.6 | -174.5 | 103.9 | 0 | 0 | 114.2 | H53 | H53-Q55 VanDerWaalsContact C-N 3.32Å; H53-Q55 PolarHBondContact O-N 3.2Å |
| 56 | K | 42.5 | Very low | 51.8 | Low | 198 Ų | 198 | 151.5 Ų | 151.5 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -8.1 | 171.2 | -77.6 | -176.1 | 174.9 | 177.6 | 0 | 114.5 | H53 H54 | H53-K56 PolarHBondContact O-N 2.98Å; H54-K56 PolarHBondContact O-N 2.84Å; H54-K56 VanDerWaalsContact O-N 3.08Å |
| 57 | G | 45.3 | Very low | 50.7 | Low | 54 Ų | 54 | 150.8 Ų | 150.8 | 56% | 0.557 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -39.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H54 K59 | H54-G57 PolarHBondContact O-N 3.26Å; G57-K59 PolarHBondContact O-N 3.18Å |
| 58 | E | 41.3 | Very low | 49.7 | Very low | 155 Ų | 155 | 154 Ų | 154 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 29 | -154.4 | -64.3 | -176.9 | 79.7 | 0 | 0 | 115.6 | H54 | H54-E58 IonicContact CE1-OE2 2.74Å; H54-E58 PolarHBondContact CE1-OE2 3.01Å; H54-E58 IonicContact ND1-OE2 2.69Å; H54-E58 PolarHBondContact ND1-OE2 2.83Å |
| 59 | K | 44.1 | Very low | 48.8 | Very low | 213 Ų | 213 | 157.4 Ų | 157.4 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 13.4 | 178.6 | -97.6 | -174.9 | 176 | -179.4 | 0 | 116.1 | G57 | G57-K59 PolarHBondContact O-N 3.18Š|
| 60 | K | 44.4 | Very low | 48.3 | Very low | 206 Ų | 206 | 156.2 Ų | 156.2 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -116.2 | 26 | -170.5 | -148.3 | 178.1 | -178.7 | 178.5 | 0 | 116.3 | | |
| 61 | K | 45 | Very low | 47.2 | Very low | 205 Ų | 205 | 163.2 Ų | 163.2 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -153.2 | 43.1 | -178 | -151 | -176.9 | 178.3 | 177.6 | 0 | 117.7 | | |
| 62 | K | 42.1 | Very low | 46.4 | Very low | 210 Ų | 210 | 161.9 Ų | 161.9 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | -154.3 | 46.7 | 168.3 | -147.3 | -178.6 | 179.5 | -177.3 | 0 | 117.1 | | |
| 63 | E | 41.5 | Very low | 45.9 | Very low | 197 Ų | 197 | 166.9 Ų | 166.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -126.6 | 96.5 | 170.1 | -98.4 | -174.8 | 118.9 | 0 | 0 | 112.9 | | |
| 64 | K | 41.2 | Very low | 45.7 | Very low | 202 Ų | 202 | 167.8 Ų | 167.8 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | | | trans | -161.4 | 122.1 | 153.4 | -93.2 | -164.3 | 177.9 | -174.7 | 0 | 107.1 | | |
| 65 | T | 51.7 | Low | 45.3 | Very low | 133 Ų | 133 | 169 Ų | 169 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 139.2 | 119 | 159.8 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 66 | V | 49.5 | Very low | 45 | Very low | 131 Ų | 131 | 165.3 Ų | 165.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 60.7 | 107.2 | 164.3 | 176.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 67 | E | 48.7 | Very low | 45 | Very low | 155 Ų | 155 | 163.7 Ų | 163.7 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | cis | 61.5 | 89.9 | 41.9 | -78.3 | -135.5 | 121.2 | 0 | 0 | 117.3 | | |
| 68 | K | 52.3 | Low | 45.1 | Very low | 175 Ų | 175 | 167.9 Ų | 167.9 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | | 160.4 | 144 | 111.3 | -92.1 | 161.5 | -177.9 | 165.5 | 0 | 115.5 | | |
| 69 | K | 44.3 | Very low | 45.9 | Very low | 210 Ų | 210 | 165.8 Ų | 165.8 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | 65.1 | 143 | 168 | -62.1 | 177.3 | 177.9 | -178 | 0 | 116 | | |
| 70 | G | 47.5 | Very low | 45.5 | Very low | 76 Ų | 76 | 163.7 Ų | 163.7 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | cis | -160.5 | 173.8 | 0.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 71 | K | 39.6 | Very low | 45.6 | Very low | 203 Ų | 203 | 156.6 Ų | 156.6 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -82.1 | 167.9 | -175.9 | -66.4 | 170.6 | 177.1 | 170.4 | 0 | 111.6 | | |
| 72 | T | 44.8 | Very low | 45.9 | Very low | 123 Ų | 123 | 157 Ų | 157 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | | -165.6 | 140.9 | 56.6 | 16.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 73 | K | 45.9 | Very low | 46.3 | Very low | 205 Ų | 205 | 154.6 Ų | 154.6 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | | 54 | 143 | 102.5 | -72.1 | -172.5 | 170.7 | -174.7 | 0 | 117.8 | | |
| 74 | K | 47.6 | Very low | 47.6 | Very low | 169 Ų | 169 | 151 Ų | 151 | 74% | 0.735 | 77% | 0.771 | S | S | * | * | | | cis | -138 | -150.7 | -13.7 | -145.8 | -157.5 | 174.4 | -164.6 | 0 | 107.5 | E76 | K74-E76 VanDerWaalsContact CE-OE2 3.23Å; K74-E76 WeakPolarHBondContact CE-OE2 3.45Å; K74-E76 IonicContact NZ-OE1 2.67Å; K74-E76 PolarHBondContact NZ-OE1 2.95Å; K74-E76 IonicContact NZ-OE2 2.77Å; K74-E76 PolarHBondContact NZ-OE2 3.43Å |
| 75 | K | 42.4 | Very low | 47.7 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | | | cis | -142.2 | 164.9 | 4.1 | -172.7 | -164.1 | 168.2 | -78 | 0 | 109.3 | E77 | K75-E77 IonicContact NZ-OE2 3.42Å; K75-E77 PolarHBondContact NZ-OE2 3.21Å |
| 76 | E | 44.2 | Very low | 48.1 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 51% | 0.505 | 77% | 0.774 | S | S | . | * | | | trans | -47.1 | 172.4 | 157.3 | -56.4 | 104.2 | 147.9 | 0 | 0 | 115.2 | K74 | K74-E76 VanDerWaalsContact CE-OE2 3.23Å; K74-E76 WeakPolarHBondContact CE-OE2 3.45Å; K74-E76 IonicContact NZ-OE1 2.67Å; K74-E76 PolarHBondContact NZ-OE1 2.95Å; K74-E76 IonicContact NZ-OE2 2.77Å; K74-E76 PolarHBondContact NZ-OE2 3.43Å |
| 77 | E | 42 | Very low | 48.1 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | cis | -155.3 | -162.9 | 34 | -141.6 | 147.5 | 132.3 | 0 | 0 | 116 | K75 | K75-E77 IonicContact NZ-OE2 3.42Å; K75-E77 PolarHBondContact NZ-OE2 3.21Å |
| 78 | K | 47.2 | Very low | 48.1 | Very low | 141 Ų | 141 | 154 Ų | 154 | 61% | 0.613 | 78% | 0.779 | S | S | * | * | | | trans | -145.8 | -171.8 | -155.4 | -110.9 | 177.8 | -175.8 | 177.7 | 0 | 109.9 | | |
| 79 | P | 57.3 | Low | 47.9 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | cis | -137.5 | -169.8 | -23.6 | 34.6 | -13.5 | 0 | 0 | 0 | 115 | | |
| 80 | N | 36 | Very low | 48.2 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | | | trans | 78.8 | 141.2 | 150.7 | -137.6 | 29.6 | 0 | 0 | 0 | 118.7 | | |
| 81 | G | 46.3 | Very low | 48.3 | Very low | 57 Ų | 57 | 151.6 Ų | 151.6 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | | | cis | 175.2 | -167.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 82 | K | 51.9 | Low | 49.1 | Very low | 214 Ų | 214 | 148.5 Ų | 148.5 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | | | trans | 91.2 | 138.7 | 176.7 | -57.3 | -169.4 | 176.9 | -171.3 | 0 | 118.8 | | |
| 83 | I | 51 | Low | 49.2 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | | | trans | -140.6 | 139.8 | 172.6 | -58.4 | 169.6 | 0 | 0 | 0 | 106.2 | | |
| 84 | P | 67.5 | Low | 49.6 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | trans | -96.4 | 144.6 | 164.5 | -4.3 | 24.8 | 0 | 0 | 0 | 112.6 | | |
| 85 | E | 44.8 | Very low | 49.8 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | | | trans | -91.8 | 166 | 167.7 | -62.8 | -176.9 | 113.9 | 0 | 0 | 111.2 | | |
| 86 | H | 58.8 | Low | 49.9 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | | | trans | -155.5 | 98.3 | 162.5 | -162.5 | -65.3 | 0 | 0 | 0 | 113.3 | | |
| 87 | D | 49.1 | Very low | 50.3 | Low | 150 Ų | 150 | 147.9 Ų | 147.9 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 36 | 158.3 | 142.1 | -99 | -113.4 | 0 | 0 | 0 | 125.6 | | |
| 88 | L | 50.2 | Low | 50.5 | Low | 160 Ų | 160 | 147.8 Ų | 147.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -116.3 | 145 | -176.3 | -75.2 | 152.2 | 0 | 0 | 0 | 110.7 | | |
| 89 | D | 47.4 | Very low | 50.7 | Low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | -164.5 | 136.4 | 150.3 | -128 | -26 | 0 | 0 | 0 | 113.6 | | |
| 90 | P | 51.2 | Low | 50.2 | Low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -138.6 | 88 | 174 | 38.7 | -20.3 | 0 | 0 | 0 | 115.2 | | |
| 91 | N | 48 | Very low | 50.7 | Low | 133 Ų | 133 | 148.5 Ų | 148.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -156.3 | 123.4 | 161.9 | -160.3 | -49.6 | 0 | 0 | 0 | 114.7 | T93 | N91-T93 PolarHBondContact OD1-N 3.11Š|
| 92 | V | 58.2 | Low | 50.5 | Low | 137 Ų | 137 | 152.6 Ų | 152.6 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | -143.5 | 97.6 | 152.7 | -168.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 93 | T | 46.1 | Very low | 50.3 | Low | 101 Ų | 101 | 148.4 Ų | 148.4 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | | | | 24.4 | 137.5 | 119 | -38.3 | 0 | 0 | 0 | 0 | 117.3 | N91 | N91-T93 PolarHBondContact OD1-N 3.11Š|
| 94 | I | 55.1 | Low | 49.8 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | | -178.1 | 125.9 | 98.9 | -87.8 | -77.1 | 0 | 0 | 0 | 111.5 | | |
| 95 | I | 50.9 | Low | 49.4 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | 66.3 | 124.4 | 154.1 | -66.9 | 170.8 | 0 | 0 | 0 | 121.2 | | |
| 96 | L | 44.5 | Very low | 49.4 | Very low | 144 Ų | 144 | 141 Ų | 141 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | -105.2 | 154.4 | 167.6 | 178.1 | 72.2 | 0 | 0 | 0 | 110.2 | | |
| 97 | K | 52.8 | Low | 49.2 | Very low | 202 Ų | 202 | 139.5 Ų | 139.5 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -141.7 | 150.2 | 163.2 | -154.3 | 68 | 170.8 | -179.9 | 0 | 110.2 | | |
| 98 | E | 45.6 | Very low | 49.4 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | trans | -122.6 | -167.2 | -144.5 | -126.5 | -152.8 | 122 | 0 | 0 | 114.2 | | |
| 99 | P | 52.7 | Low | 49.7 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | -116.9 | -163.3 | -139.7 | 42.8 | -25.1 | 0 | 0 | 0 | 113.6 | | |
| 100 | V | 47.2 | Very low | 50.1 | Low | 117 Ų | 117 | 134.1 Ų | 134.1 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | | | trans | 178.5 | 122.5 | 136.1 | 142.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 101 | R | 45.1 | Very low | 49.8 | Very low | 221 Ų | 221 | 133.1 Ų | 133.1 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | 55.3 | 116.2 | 142.1 | -56.3 | 176.1 | -162.2 | -178.2 | 5.4 | 125.4 | | |
| 102 | V | 42.4 | Very low | 50 | Low | 142 Ų | 142 | 133.2 Ų | 133.2 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | 8.9 | 141.5 | 134.7 | -75.9 | 0 | 0 | 0 | 0 | 124.3 | | |
| 103 | S | 48.5 | Very low | 49.3 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | | | | -159.2 | 157.3 | 126.2 | -167.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 104 | A | 40.6 | Very low | 49.2 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -160.4 | 140.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 105 | V | 58.2 | Low | 48.8 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -154.3 | 121.2 | 166.4 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 106 | A | 44.2 | Very low | 48.5 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | | 44.2 | 147.8 | 100.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 107 | V | 54.7 | Low | 48.5 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | | | cis | -142.6 | -176.1 | 27.1 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 108 | A | 53.1 | Low | 48.3 | Very low | 91 Ų | 91 | 127 Ų | 127 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | -109.5 | 173.5 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 109 | P | 56.5 | Low | 48.3 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -120 | 173.4 | -168.7 | 43.2 | -32.6 | 0 | 0 | 0 | 117.5 | | |
| 110 | T | 57.1 | Low | 48.4 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -158.2 | 172.6 | 171.7 | 46.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 111 | S | 44.8 | Very low | 48.5 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | cis | -171.5 | 168.7 | -40.9 | -163.2 | 0 | 0 | 0 | 0 | 111 | | |
| 112 | V | 51.1 | Low | 48.7 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | trans | 54.7 | 139.5 | 167.2 | -53.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 113 | H | 43.6 | Very low | 48.8 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | cis | 110.4 | 109.2 | -10.6 | -154.1 | -82.8 | 0 | 0 | 0 | 118.8 | | |
| 114 | S | 45 | Very low | 49.3 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -176.6 | 147.9 | 154.3 | -82 | 0 | 0 | 0 | 0 | 111.8 | | |
| 115 | S | 46.6 | Very low | 49.6 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | cis | 96.6 | 129 | 21 | -168.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 116 | V | 44.3 | Very low | 49.4 | Very low | 119 Ų | 119 | 122 Ų | 122 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | cis | -164.6 | 161 | -5.9 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 117 | G | 43.6 | Very low | 50 | Low | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | -179.4 | 112.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 118 | H | 49.2 | Very low | 49.5 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | | 83.3 | 136.1 | 67.7 | -60.4 | 172.9 | 0 | 0 | 0 | 112.5 | | |
| 119 | T | 44.8 | Very low | 49 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | | | cis | -145.4 | 170 | 14.8 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 120 | P | 56.8 | Low | 48.4 | Very low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -124.4 | -171.1 | 179.3 | 37.9 | -20.3 | 0 | 0 | 0 | 116.3 | | |
| 121 | I | 48.5 | Very low | 47.6 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | 117.1 | 123.4 | 155.8 | -63.4 | 163.2 | 0 | 0 | 0 | 118.1 | | |
| 122 | A | 49.7 | Very low | 47.5 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | trans | -167.4 | 151.8 | 140.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 123 | T | 43.9 | Very low | 46.9 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -159.5 | 132.6 | -175.8 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 124 | V | 58.6 | Low | 47.1 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -151.9 | 129.4 | 162.4 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 125 | P | 46.2 | Very low | 46.8 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -125.3 | 156.9 | 167 | 38.8 | -27.4 | 0 | 0 | 0 | 114.3 | | |
| 126 | A | 56 | Low | 46.8 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -155.4 | 154.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 127 | M | 56.2 | Low | 46.9 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | | | trans | -129.5 | 172.8 | 170.7 | -51.8 | -166.6 | -52.2 | 0 | 0 | 109.6 | | |
| 128 | P | 42.8 | Very low | 47 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | | -151.2 | -165.2 | 89.2 | 39.5 | -19 | 0 | 0 | 0 | 115.9 | | |
| 129 | Q | 44.2 | Very low | 46.9 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -95.5 | 157.7 | -166 | -54.2 | 157 | -95.5 | 0 | 0 | 115.7 | | |
| 130 | E | 42.8 | Very low | 47.1 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | | | trans | -167.2 | 159.2 | 145.4 | -83.9 | -51.3 | 61.6 | 0 | 0 | 109.8 | | |
| 131 | K | 41.4 | Very low | 46.4 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 65% | 0.652 | 81% | 0.806 | S | S | * | * | | | cis | -162.8 | 146.7 | -39.5 | -139 | -165.8 | -152.2 | 77.7 | 0 | 111 | | |
| 132 | L | 41.4 | Very low | 46.5 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | 63.4 | 158.4 | 161 | -65.3 | 177.3 | 0 | 0 | 0 | 122 | | |
| 133 | A | 38.5 | Very low | 46.3 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -151.7 | 163.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 134 | S | 49.2 | Very low | 46.8 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -165.7 | 171.1 | 160.8 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 135 | S | 38.9 | Very low | 46 | Very low | 121 Ų | 121 | 155.3 Ų | 155.3 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -139.5 | 168.7 | -169.3 | -115.1 | 0 | 0 | 0 | 0 | 113 | | |
| 136 | P | 45.6 | Very low | 45.9 | Very low | 119 Ų | 119 | 156.6 Ų | 156.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -91.1 | 167.3 | -153 | 35.6 | -38.8 | 0 | 0 | 0 | 116.9 | | |
| 137 | K | 45.9 | Very low | 45.6 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -150.7 | 126.1 | 171.2 | -99.5 | 176.1 | -179.8 | 170.4 | 0 | 114.8 | | |
| 138 | D | 45.4 | Very low | 44.9 | Very low | 140 Ų | 140 | 157 Ų | 157 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | | 50.3 | 119.3 | 126 | -121 | -57 | 0 | 0 | 0 | 122.6 | | |
| 139 | R | 47.7 | Very low | 45.1 | Very low | 232 Ų | 232 | 157.5 Ų | 157.5 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | | 166.1 | 143.8 | 108.6 | -97.1 | 173.4 | 167.9 | -171.1 | -4.7 | 119.7 | | |
| 140 | K | 49.8 | Very low | 45 | Very low | 194 Ų | 194 | 157.5 Ų | 157.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | 85.8 | 83 | 134.1 | -161.8 | 177.1 | -175.8 | -178.3 | 0 | 124 | | |
| 141 | K | 42.3 | Very low | 45 | Very low | 163 Ų | 163 | 155.9 Ų | 155.9 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | | | | 26.1 | 134.9 | 117.8 | 175.6 | 172.1 | 178.7 | 158.5 | 0 | 122.3 | E143 | K141-E143 WeakPolarHBondContact CE-OE2 3.46Å; K141-E143 IonicContact NZ-OE2 2.63Å; K141-E143 PolarHBondContact NZ-OE2 2.68Å |
| 142 | K | 50.1 | Low | 45.2 | Very low | 206 Ų | 206 | 153.6 Ų | 153.6 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | | | trans | -153.6 | 158.5 | 135.4 | -155.3 | 167.6 | -176.6 | 178.3 | 0 | 113 | | |
| 143 | E | 44.6 | Very low | 45.2 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 57% | 0.57 | 81% | 0.809 | S | S | * | * | | | trans | -133.3 | 154.3 | -174.7 | -63.2 | 169 | 60.4 | 0 | 0 | 113.8 | K141 | K141-E143 WeakPolarHBondContact CE-OE2 3.46Å; K141-E143 IonicContact NZ-OE2 2.63Å; K141-E143 PolarHBondContact NZ-OE2 2.68Å |
| 144 | K | 54.4 | Low | 45.4 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -172 | 132 | 143.6 | -102.4 | -177.6 | 176.5 | -172.8 | 0 | 106.9 | | |
| 145 | K | 42.6 | Very low | 45.4 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | | | cis | 93.2 | 141 | 29.1 | -83.8 | -153.3 | 173.5 | -172.4 | 0 | 116 | | |
| 146 | V | 44.3 | Very low | 45.7 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | 81.7 | 136.5 | 170.1 | -172.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 147 | A | 49.3 | Very low | 45.3 | Very low | 86 Ų | 86 | 153 Ų | 153 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | cis | -165 | 153.3 | -28.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 148 | K | 41 | Very low | 45.2 | Very low | 194 Ų | 194 | 150.7 Ų | 150.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | 19.1 | 127.8 | 142.6 | -176 | 172 | -178.3 | 173.1 | 0 | 121.4 | | |
| 149 | V | 47.3 | Very low | 45.5 | Very low | 140 Ų | 140 | 149 Ų | 149 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | | -158.4 | 156.2 | 126 | 138.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 150 | E | 41.6 | Very low | 45.3 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -115.6 | 168.7 | -175.3 | -108.6 | -152 | 116.9 | 0 | 0 | 113.3 | | |
| 151 | P | 43.6 | Very low | 45.1 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -88.3 | 167.6 | -167 | 36.4 | -37.1 | 0 | 0 | 0 | 115.1 | | |
| 152 | A | 46.4 | Very low | 44.8 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -123.1 | 165.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 153 | V | 40.1 | Very low | 44.7 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -121.5 | 162.2 | -163.7 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 154 | S | 43.1 | Very low | 44.5 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 84.5 | 161.5 | 171 | -26.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 155 | S | 49.2 | Very low | 43.9 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | | | cis | -154.6 | 173.2 | 9 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 156 | I | 46.3 | Very low | 44.1 | Very low | 144 Ų | 144 | 136 Ų | 136 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | 59.3 | 112.5 | 153.5 | -64.4 | 159.4 | 0 | 0 | 0 | 116.7 | | |
| 157 | V | 35.4 | Very low | 44 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | | 68.4 | 78.3 | 56.9 | -171.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 158 | N | 43.8 | Very low | 43.8 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -168.4 | 147.7 | 157.7 | -118.9 | -18.1 | 0 | 0 | 0 | 108.6 | | |
| 159 | S | 52.9 | Low | 43.8 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | cis | -149.6 | 174.4 | -15.8 | -148.2 | 0 | 0 | 0 | 0 | 110.1 | Q161 | S159-Q161 PolarHBondContact O-N 2.8Š|
| 160 | I | 43.9 | Very low | 43.8 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -77.6 | 115.5 | -176.9 | -60.9 | 163.4 | 0 | 0 | 0 | 110.6 | | |
| 161 | Q | 44.5 | Very low | 43.7 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -153.9 | 86.8 | 154.3 | -143.8 | 177 | 95.4 | 0 | 0 | 112.7 | S159 L163 | S159-Q161 PolarHBondContact O-N 2.8Å; Q161-L163 HydrophobicContact CG-CD1 3.94Å |
| 162 | V | 36.9 | Very low | 43.6 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -101.4 | 93.3 | 163.6 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 163 | L | 46.7 | Very low | 43.8 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | | | trans | -80 | 127.5 | 168.3 | -112.5 | 71.2 | 0 | 0 | 0 | 109.1 | Q161 | Q161-L163 HydrophobicContact CG-CD1 3.94Š|
| 164 | A | 40.7 | Very low | 44.1 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -75.3 | 149.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 165 | S | 42.7 | Very low | 44.8 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -126.6 | 107.8 | 167.4 | -63.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 166 | K | 47.1 | Very low | 44.6 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -151.5 | 161 | 171 | -93.4 | -164.2 | 174.8 | -174.8 | 0 | 109.6 | | |
| 167 | S | 42.6 | Very low | 44.7 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | 69.2 | 151 | -169 | 80 | 0 | 0 | 0 | 0 | 113.9 | | |
| 168 | A | 44.2 | Very low | 45.4 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | cis | -129.9 | 143.3 | 1.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 169 | I | 40.4 | Very low | 45.8 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -114.8 | 126.5 | 154.8 | -61.4 | 170.7 | 0 | 0 | 0 | 104.2 | | |
| 170 | L | 47.5 | Very low | 45.8 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -140.4 | 148.8 | 168 | -88.5 | 179.7 | 0 | 0 | 0 | 110.7 | | |
| 171 | E | 39.8 | Very low | 45.9 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | | | trans | -116.5 | 174.8 | -164.4 | -156.8 | 174.8 | 112.4 | 0 | 0 | 111 | | |
| 172 | A | 42.3 | Very low | 46.3 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -71.8 | 146.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 173 | T | 50.1 | Low | 47.2 | Very low | 138 Ų | 138 | 137 Ų | 137 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | trans | -143.6 | 118.4 | 158.7 | 56.6 | 0 | 0 | 0 | 0 | 111 | | |
| 174 | P | 45.1 | Very low | 47.9 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -104.8 | 143.8 | 174.9 | 36.4 | -30.5 | 0 | 0 | 0 | 113.6 | | |
| 175 | K | 59.5 | Low | 48 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -150.2 | 118.3 | 163.7 | -72.9 | -168.4 | 179.7 | -178.8 | 0 | 107 | | |
| 176 | E | 45.2 | Very low | 48.2 | Very low | 168 Ų | 168 | 135 Ų | 135 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | | 96 | 91.2 | 62.2 | -81.1 | -92 | 93.7 | 0 | 0 | 112.6 | | |
| 177 | V | 46.9 | Very low | 48.5 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | | | trans | 48 | 169.5 | 137.6 | -90.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 178 | P | 50 | Low | 48.7 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | | | cis | -135.6 | 172.2 | -15.7 | 25.5 | -2.4 | 0 | 0 | 0 | 116.2 | | |
| 179 | M | 52.1 | Low | 48.7 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | | | | 141.5 | 130.7 | 121.5 | -75.1 | -148.5 | 174.6 | 0 | 0 | 116.9 | | |
| 180 | V | 54.1 | Low | 49 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | 65.8 | 135.1 | 155 | 177.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 181 | A | 45.5 | Very low | 48.8 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | cis | -128.9 | -174.8 | 8.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 182 | V | 53.3 | Low | 49.2 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -119.2 | 148.8 | -164.7 | 172.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 183 | P | 55 | Low | 49.2 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -101.2 | -126 | 177.6 | 26.8 | -4.2 | 0 | 0 | 0 | 109.9 | | |
| 184 | P | 62.3 | Low | 48.8 | Very low | 105 Ų | 105 | 126 Ų | 126 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | cis | -142.9 | -173.8 | -10.1 | 34.4 | -8.4 | 0 | 0 | 0 | 118.2 | | |
| 185 | V | 43.3 | Very low | 48.5 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | 87.9 | 122.8 | 157.2 | -167.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 186 | G | 46.1 | Very low | 47.5 | Very low | 69 Ų | 69 | 120 Ų | 120 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | 132.3 | 152.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 187 | S | 52.7 | Low | 47.2 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | cis | -173.3 | 153.7 | -31.4 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 188 | K | 47.7 | Very low | 46.9 | Very low | 197 Ų | 197 | 118.9 Ų | 118.9 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | 73.8 | 120.6 | 170.7 | -50.8 | -178.3 | -175.7 | -179.7 | 0 | 115.3 | | |
| 189 | A | 45 | Very low | 46.4 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | | 84.9 | 145.9 | 92.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 190 | S | 45.5 | Very low | 45.8 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | cis | -148.3 | -177.5 | 7.6 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 191 | S | 43.3 | Very low | 45 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -103.6 | -156.2 | -171.4 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 192 | P | 49.1 | Very low | 44.8 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | | -128.4 | 168.2 | -85.6 | 40.1 | -25.1 | 0 | 0 | 0 | 115 | | |
| 193 | A | 41.5 | Very low | 44.1 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -161.5 | 148.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 194 | T | 40.9 | Very low | 43.3 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 34 | 148.4 | 141 | 55.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 195 | S | 40.6 | Very low | 42.3 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | cis | -179.7 | 156.5 | -10.5 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 196 | S | 37.2 | Very low | 41.9 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | | | trans | 73.5 | 134 | 147.3 | -146.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 197 | Q | 39.9 | Very low | 41.9 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | | | trans | 49.2 | 138.8 | 142.6 | -69.4 | 166 | -29.3 | 0 | 0 | 122.6 | | |
| 198 | G | 39.4 | Very low | 41 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | -152 | -55 | 174.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 199 | K | 41.1 | Very low | 40.6 | Very low | 200 Ų | 200 | 132.3 Ų | 132.3 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | trans | 66 | 150.6 | -174.8 | -62.9 | 177.6 | 169.9 | 171.1 | 0 | 118.5 | | |
| 200 | K | 39.5 | Very low | 40.3 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | | | trans | 70.2 | 146.9 | 168.4 | -59.6 | 174.1 | 179.8 | 178.4 | 0 | 115.6 | | |
| 201 | G | 36.3 | Very low | 39.8 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | cis | 165.4 | 173.8 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 202 | Q | 40.7 | Very low | 39.6 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 99% | 0.991 | 80% | 0.799 | S | S | * | * | | | trans | 72.6 | 146.5 | -173.6 | -46.1 | 177.3 | 16.2 | 0 | 0 | 114 | | |
| 203 | G | 40 | Very low | 38.7 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | cis | -140 | 155.7 | -10.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 204 | A | 37.8 | Very low | 38.2 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | | 66.2 | 130.4 | 82.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 205 | Q | 39.9 | Very low | 38 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | cis | -158.5 | 156.8 | 6.7 | -166.3 | 173.1 | -75.4 | 0 | 0 | 111.9 | | |
| 206 | N | 36.7 | Very low | 37.9 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | | | trans | -68.9 | 138.8 | 170.5 | -80 | -45.4 | 0 | 0 | 0 | 113 | | |
| 207 | Q | 44.2 | Very low | 38.2 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | | | trans | -144.8 | 157.5 | 145.3 | -71 | -156.3 | 34.1 | 0 | 0 | 110.1 | | |
| 208 | G | 35.7 | Very low | 38 | Very low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | | | trans | -158.3 | -166.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 209 | K | 38.7 | Very low | 38.4 | Very low | 214 Ų | 214 | 142.8 Ų | 142.8 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | 75.9 | 145.8 | -158.7 | -49.1 | 167.6 | -177.5 | 177.9 | 0 | 111 | | |
| 210 | K | 39.2 | Very low | 38.2 | Very low | 197 Ų | 197 | 142.7 Ų | 142.7 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | cis | -116.4 | 170.7 | -1.7 | -63.3 | 177.2 | -179.6 | -179.3 | 0 | 108.9 | | |
| 211 | G | 33.7 | Very low | 38.1 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | cis | 112.4 | 137 | 10.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 212 | E | 39.4 | Very low | 38.2 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | | | trans | 70.1 | 145.7 | -171.8 | -54.4 | 175.3 | 96.6 | 0 | 0 | 115 | | |
| 213 | G | 30.4 | Very low | 38 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | cis | 164.6 | 115.2 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 214 | A | 30.8 | Very low | 38.1 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | 61.8 | 171.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 215 | Q | 37.2 | Very low | 38 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | cis | -148.3 | 149.6 | -1.4 | -158.1 | 171.8 | -86 | 0 | 0 | 111.1 | | |
| 216 | N | 39 | Very low | 38.1 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -68.6 | 133.9 | 174.8 | -102 | -33 | 0 | 0 | 0 | 113.2 | | |
| 217 | Q | 42.2 | Very low | 38.2 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | | | trans | -147.2 | 134.8 | 157.9 | -64.2 | -168.2 | 56.2 | 0 | 0 | 108.6 | | |
| 218 | G | 37 | Very low | 38.2 | Very low | 64 Ų | 64 | 135.2 Ų | 135.2 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | | | cis | 113.7 | 86.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 219 | K | 46.3 | Very low | 38.6 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | 173.1 | 149.8 | 163.9 | -85.4 | 130.7 | -164.7 | 168.4 | 0 | 106.8 | | |
| 220 | K | 37.8 | Very low | 38.5 | Very low | 198 Ų | 198 | 140 Ų | 140 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | cis | -155.2 | 145.2 | -15.9 | -99.8 | 179.3 | 174.3 | -171.9 | 0 | 105.2 | | |
| 221 | G | 37.8 | Very low | 38.6 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | | 95.7 | 138.6 | 84.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 222 | E | 37.1 | Very low | 38.9 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | | | cis | -144.9 | 164.1 | 6.4 | -67.6 | -178.5 | 73.3 | 0 | 0 | 111.3 | | |
| 223 | G | 36.6 | Very low | 38.8 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 179.6 | 41.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 224 | A | 42.2 | Very low | 39.2 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | 49.3 | 108.6 | 164 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 225 | Q | 36.3 | Very low | 39.5 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -22.5 | 141.2 | 160 | -63 | 162.1 | -123.9 | 0 | 0 | 119.1 | | |
| 226 | N | 41.6 | Very low | 39.6 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | | -165.3 | 169.3 | 95.7 | -108.7 | -39.2 | 0 | 0 | 0 | 116.7 | | |
| 227 | Q | 39.5 | Very low | 39.6 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -86.9 | 144.4 | -157.3 | -52.3 | 170.5 | 23.4 | 0 | 0 | 115.3 | | |
| 228 | G | 43.4 | Very low | 39.3 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -158.2 | 142.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 229 | K | 44.6 | Very low | 39.7 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | | | trans | -115 | 137 | -165.4 | -73.1 | -176 | 178.2 | 178.5 | 0 | 115.1 | | |
| 230 | K | 37 | Very low | 39.2 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | | | trans | 44.3 | 128.1 | 147.5 | -86.4 | -169.4 | 164 | -105.2 | 0 | 120.7 | E232 | K230-E232 IonicContact NZ-OE2 2.73Å; K230-E232 PolarHBondContact NZ-OE2 3.24Å |
| 231 | G | 40.1 | Very low | 39.1 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | -169.2 | 109.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 232 | E | 40.4 | Very low | 39.3 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 78% | 0.78 | 83% | 0.826 | S | S | * | * | | | trans | -93.5 | 149.7 | -178 | -68.6 | 160.5 | 68.3 | 0 | 0 | 110.5 | K230 | K230-E232 IonicContact NZ-OE2 2.73Å; K230-E232 PolarHBondContact NZ-OE2 3.24Å |
| 233 | G | 38.2 | Very low | 39.5 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -161.6 | 8.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 234 | A | 38.3 | Very low | 39.5 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | 60.5 | 149.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 235 | Q | 37.2 | Very low | 39.4 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | | | trans | -100.1 | 157.4 | 173.1 | -61.9 | 163.2 | -106.1 | 0 | 0 | 111.4 | | |
| 236 | N | 39.3 | Very low | 39.5 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | | -177 | 115.4 | 122.8 | -93.1 | -27.2 | 0 | 0 | 0 | 110.3 | | |
| 237 | Q | 39.6 | Very low | 39.3 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | | | | 85 | 94.3 | 85.1 | -83.1 | -163.6 | 76.5 | 0 | 0 | 115.2 | | |
| 238 | G | 35.6 | Very low | 39.2 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | | 84 | 128.8 | 128.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 239 | K | 44.4 | Very low | 39.2 | Very low | 218 Ų | 218 | 147.1 Ų | 147.1 | 95% | 0.948 | 83% | 0.828 | S | S | * | * | | | | -161.6 | 164.1 | 125.7 | -108.3 | 164.2 | -173.3 | 179.8 | 0 | 111.5 | | |
| 240 | K | 36.8 | Very low | 38.9 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | | | trans | -93.6 | 145.6 | 177.2 | -66.7 | 179 | 177.4 | 179.6 | 0 | 110.5 | | |
| 241 | G | 34 | Very low | 39 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | | | trans | 54.5 | 106.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 242 | E | 43.8 | Very low | 39.1 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 94% | 0.939 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 122.8 | 164.5 | -66.8 | -176.1 | 128 | 0 | 0 | 110.3 | | |
| 243 | G | 40 | Very low | 38.9 | Very low | 62 Ų | 62 | 145.3 Ų | 145.3 | 64% | 0.639 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 164.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q245 | G243-Q245 PolarHBondContact O-N 2.94Š|
| 244 | P | 36.8 | Very low | 38.9 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 94% | 0.935 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 119.9 | -170.8 | 28.9 | -34.6 | 0 | 0 | 0 | 112.1 | | |
| 245 | Q | 39.7 | Very low | 39 | Very low | 196 Ų | 196 | 150.4 Ų | 150.4 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | | | trans | -115.8 | 125.1 | 163.5 | -170.7 | 167.3 | -14.7 | 0 | 0 | 110.1 | G243 | G243-Q245 PolarHBondContact O-N 2.94Š|
| 246 | N | 38.2 | Very low | 39.1 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 75% | 0.749 | 85% | 0.845 | S | S | * | * | | | trans | -105.1 | 160.8 | -174 | -168.8 | 6.3 | 0 | 0 | 0 | 110.9 | | |
| 247 | Q | 38.7 | Very low | 39.2 | Very low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | | | trans | 76.2 | 159.5 | 167.3 | -49.9 | -169.6 | 4.5 | 0 | 0 | 119.2 | | |
| 248 | A | 36.7 | Very low | 39.3 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 83% | 0.826 | 85% | 0.853 | S | S | * | * | | | trans | 69.7 | 84.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 249 | K | 43 | Very low | 39.7 | Very low | 213 Ų | 213 | 154.1 Ų | 154.1 | 93% | 0.926 | 86% | 0.861 | S | S | * | * | | | trans | -144.8 | 102.1 | 139.3 | -115.9 | 177.4 | -175.1 | 179.1 | 0 | 112.3 | | |
| 250 | K | 39.6 | Very low | 39.5 | Very low | 218 Ų | 218 | 153.9 Ų | 153.9 | 95% | 0.948 | 86% | 0.86 | S | S | * | * | | | trans | -95.8 | 151.8 | 148.9 | -84.2 | -171.9 | 173.7 | -174.8 | 0 | 107.5 | | |
| 251 | G | 39.3 | Very low | 39.6 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 85% | 0.852 | S | S | * | * | | | trans | 149.8 | 107.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 252 | E | 41.3 | Very low | 39.9 | Very low | 207 Ų | 207 | 153.5 Ų | 153.5 | 97% | 0.967 | 86% | 0.859 | S | S | * | * | | | trans | -80.6 | 157.7 | -177.5 | -70.3 | 164.6 | 81.9 | 0 | 0 | 112.5 | | |
| 253 | G | 37.3 | Very low | 39.5 | Very low | 81 Ų | 81 | 147.1 Ų | 147.1 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | | | trans | -176.3 | 88.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 254 | A | 38.3 | Very low | 39.5 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | | | trans | -98.7 | 137 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 255 | Q | 40 | Very low | 39.5 | Very low | 194 Ų | 194 | 150.5 Ų | 150.5 | 91% | 0.907 | 85% | 0.852 | S | S | * | * | | | trans | -155.6 | 100.5 | 148.7 | -115.5 | 176.4 | -77.4 | 0 | 0 | 113.2 | | |
| 256 | N | 38.8 | Very low | 39.4 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | | | trans | 0.7 | 142.1 | 130.4 | -89.6 | -29.5 | 0 | 0 | 0 | 117.5 | | |
| 257 | Q | 42.1 | Very low | 39.5 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | | | cis | -148.3 | 164.3 | 20.7 | -56.6 | 179.5 | 8.6 | 0 | 0 | 112.7 | | |
| 258 | G | 41.3 | Very low | 39.5 | Very low | 78 Ų | 78 | 146.1 Ų | 146.1 | 80% | 0.804 | 85% | 0.853 | S | S | * | * | | | trans | 168.9 | 64.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 259 | K | 42.7 | Very low | 39.7 | Very low | 213 Ų | 213 | 151.1 Ų | 151.1 | 93% | 0.926 | 86% | 0.856 | S | S | * | * | | | trans | -87.5 | 114.8 | -176.4 | -80.9 | -168.2 | 174.5 | -173.4 | 0 | 114.8 | | |
| 260 | K | 40.5 | Very low | 39.3 | Very low | 213 Ų | 213 | 151.3 Ų | 151.3 | 93% | 0.926 | 86% | 0.857 | S | S | * | * | | | trans | -174.5 | 135.9 | 147.3 | -102.8 | -179.1 | -178.6 | -176.6 | 0 | 106.7 | | |
| 261 | G | 38.6 | Very low | 39.1 | Very low | 71 Ų | 71 | 144.6 Ų | 144.6 | 73% | 0.732 | 85% | 0.849 | S | S | * | * | | | cis | -170.9 | 168.4 | -6.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 262 | E | 40.7 | Very low | 39 | Very low | 207 Ų | 207 | 151 Ų | 151 | 97% | 0.967 | 86% | 0.858 | S | S | * | * | | | trans | -59.5 | 153.8 | -174.9 | -67 | 130.2 | 110.5 | 0 | 0 | 114.4 | | |
| 263 | G | 36.3 | Very low | 38.7 | Very low | 67 Ų | 67 | 144.8 Ų | 144.8 | 69% | 0.691 | 85% | 0.85 | S | S | * | * | | | cis | 170.7 | -140.7 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 264 | A | 40.4 | Very low | 38.6 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 87% | 0.868 | 85% | 0.851 | S | S | * | * | | | trans | 71.3 | 101.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 265 | Q | 37 | Very low | 38.6 | Very low | 173 Ų | 173 | 150.8 Ų | 150.8 | 81% | 0.808 | 86% | 0.857 | S | S | * | * | | | trans | -49.3 | 156.9 | 139.1 | -76.4 | 171.1 | -115.3 | 0 | 0 | 110.2 | | |
| 266 | N | 37.6 | Very low | 38.4 | Very low | 141 Ų | 141 | 147.8 Ų | 147.8 | 75% | 0.754 | 85% | 0.848 | S | S | * | * | | | | -164.7 | 172.8 | 55.9 | -137.6 | -7.3 | 0 | 0 | 0 | 114.4 | | |
| 267 | Q | 39 | Very low | 38.3 | Very low | 191 Ų | 191 | 149.2 Ų | 149.2 | 89% | 0.893 | 85% | 0.849 | S | S | * | * | | | trans | -76.5 | 151.5 | 173.2 | -57.1 | 179.7 | 14.2 | 0 | 0 | 111.7 | | |
| 268 | G | 39.1 | Very low | 38.1 | Very low | 81 Ų | 81 | 144 Ų | 144 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | | | trans | -173.7 | 79.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 269 | K | 41.6 | Very low | 38 | Very low | 205 Ų | 205 | 150.2 Ų | 150.2 | 89% | 0.891 | 85% | 0.851 | S | S | * | * | | | trans | -103.3 | 118.9 | 172.6 | -99.5 | -171.7 | 176.9 | 178.6 | 0 | 111.1 | | |
| 270 | K | 33.8 | Very low | 37.5 | Very low | 218 Ų | 218 | 150.1 Ų | 150.1 | 95% | 0.948 | 85% | 0.851 | S | S | * | * | | | trans | 65.1 | 151.9 | 167.1 | -62.6 | -172.2 | 171.2 | -168.8 | 0 | 116.8 | | |
| 271 | G | 36.3 | Very low | 37.3 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | | | trans | 140 | 106.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 272 | E | 36.5 | Very low | 37.1 | Very low | 211 Ų | 211 | 151 Ų | 151 | 99% | 0.986 | 86% | 0.857 | S | S | * | * | | | trans | -74.5 | 138.4 | 175.6 | -73.3 | 161.7 | 92.4 | 0 | 0 | 110.5 | | |
| 273 | G | 35.3 | Very low | 37 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | | | trans | -159.6 | 96.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 274 | A | 35.4 | Very low | 37 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 85% | 0.851 | 85% | 0.853 | S | S | * | * | | | trans | -85.5 | 121.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 275 | Q | 38.3 | Very low | 37 | Very low | 203 Ų | 203 | 151.9 Ų | 151.9 | 95% | 0.949 | 86% | 0.855 | S | S | * | * | | | trans | -151.5 | 156.2 | 154.3 | -127.8 | 173.3 | -38.1 | 0 | 0 | 113.2 | | |
| 276 | N | 35.6 | Very low | 36.9 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 71% | 0.706 | 85% | 0.848 | S | S | * | * | | | trans | -92.4 | 148.8 | -167.2 | -104 | -67 | 0 | 0 | 0 | 113.4 | | |
| 277 | Q | 36.6 | Very low | 37.1 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 85% | 0.851 | S | S | * | * | | | trans | 49.2 | 111.9 | 142.6 | -63.8 | 172.8 | 53.9 | 0 | 0 | 119.9 | | |
| 278 | G | 38.5 | Very low | 37.1 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | | | trans | -133.1 | 125.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 279 | K | 37.9 | Very low | 37 | Very low | 207 Ų | 207 | 150.6 Ų | 150.6 | 90% | 0.9 | 84% | 0.839 | S | S | * | * | | | trans | -120.6 | 156.1 | 173.3 | -88.5 | -169.2 | 176 | -176.4 | 0 | 110.4 | | |
| 280 | K | 32.8 | Very low | 36.8 | Very low | 212 Ų | 212 | 148.8 Ų | 148.8 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | | | trans | 79 | 115.4 | 176.1 | -56.8 | -176 | 175.2 | -174.7 | 0 | 116.8 | | |
| 281 | A | 35.8 | Very low | 37.1 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | | | | -155.7 | 125.9 | 117.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 282 | E | 35.2 | Very low | 37.3 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | | | trans | -104 | 148.7 | 161.3 | -74.7 | -179.7 | 105.7 | 0 | 0 | 108.2 | | |
| 283 | G | 38.2 | Very low | 37.4 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -161.5 | 129 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 284 | V | 36.9 | Very low | 37.6 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | | | trans | -125.2 | 127.3 | -166.7 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 285 | Q | 40.5 | Very low | 38.1 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | | | trans | -179.7 | 138.9 | 150.6 | -101.4 | 156.4 | 4.6 | 0 | 0 | 108.9 | | |
| 286 | S | 34.4 | Very low | 38 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | | | cis | 121.1 | 140.4 | -5.5 | -167.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 287 | Q | 42 | Very low | 38.3 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | 72.1 | 149.8 | 172.6 | -63.1 | -143.2 | 16.5 | 0 | 0 | 117.8 | | |
| 288 | S | 37.5 | Very low | 38.3 | Very low | 85 Ų | 85 | 148.4 Ų | 148.4 | 59% | 0.594 | 81% | 0.809 | S | S | * | * | | | cis | -168.9 | 177.4 | -9.5 | -103.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 289 | K | 38.6 | Very low | 38.5 | Very low | 203 Ų | 203 | 151 Ų | 151 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | 89.5 | 138.2 | 166.3 | -59.1 | 174.9 | -177.5 | 175.1 | 0 | 116.6 | | |
| 290 | K | 37.8 | Very low | 38.5 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 73% | 0.726 | 80% | 0.804 | S | S | * | * | | | cis | -159.3 | 150.6 | -15 | -174.2 | 173 | -173 | -80 | 0 | 109 | E292 | K290-E292 IonicContact NZ-OE1 2.81Å; K290-E292 PolarHBondContact NZ-OE1 3.09Å; K290-E292 IonicContact NZ-OE2 2.65Å; K290-E292 PolarHBondContact NZ-OE2 3.29Å |
| 291 | G | 39.3 | Very low | 38.9 | Very low | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | 176.4 | 104.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 292 | E | 39.9 | Very low | 39.1 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -71.4 | 148 | 169.3 | -63.4 | 102.6 | 130.6 | 0 | 0 | 111.4 | K290 | K290-E292 IonicContact NZ-OE1 2.81Å; K290-E292 PolarHBondContact NZ-OE1 3.09Å; K290-E292 IonicContact NZ-OE2 2.65Å; K290-E292 PolarHBondContact NZ-OE2 3.29Å |
| 293 | G | 39.2 | Very low | 39.5 | Very low | 69 Ų | 69 | 141.3 Ų | 141.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | cis | -149.3 | -136.5 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 294 | T | 39.6 | Very low | 39.5 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | | | cis | -155.9 | -174 | 3 | -51.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 295 | Q | 45.8 | Very low | 39.8 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -72 | 131.8 | -171.1 | -76.9 | -179.8 | -29.3 | 0 | 0 | 118.9 | | |
| 296 | N | 35.3 | Very low | 39.9 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | | 52.6 | 121.9 | 118.7 | -169.3 | 23.4 | 0 | 0 | 0 | 121.9 | | |
| 297 | R | 43.3 | Very low | 40.2 | Very low | 238 Ų | 238 | 142.4 Ų | 142.4 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | | | | -162.4 | 133.2 | 128.1 | -106.9 | 168.1 | -161.8 | 175 | 5.9 | 112.1 | | |
| 298 | K | 36.2 | Very low | 40 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | -109.9 | 139 | 156 | -71.2 | -176.7 | 178.1 | -176.6 | 0 | 108.3 | | |
| 299 | T | 41.3 | Very low | 40.2 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | -178.9 | 139.2 | 145.4 | 26 | 0 | 0 | 0 | 0 | 110.2 | | |
| 300 | D | 38.5 | Very low | 40 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -69.3 | 151.3 | 167.8 | -54.1 | -99.2 | 0 | 0 | 0 | 113 | | |
| 301 | T | 41.5 | Very low | 40.1 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -157.5 | 139.7 | 149.2 | -59.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 302 | V | 39.3 | Very low | 39.9 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | -103.1 | 133.8 | 178.6 | 179.6 | 0 | 0 | 0 | 0 | 110 | | |
| 303 | A | 44.6 | Very low | 39.7 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | | | trans | -170.7 | 151.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 304 | N | 39 | Very low | 39.4 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 55.5 | 111.6 | 157.6 | -67.6 | -30.2 | 0 | 0 | 0 | 119.9 | | |
| 305 | Q | 42.7 | Very low | 39.5 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | | 83.4 | 126.5 | 59.1 | -74.9 | -165.2 | 94.7 | 0 | 0 | 114.5 | | |
| 306 | G | 42.4 | Very low | 38.9 | Very low | 69 Ų | 69 | 140.8 Ų | 140.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | 179.6 | 77.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 307 | T | 40.7 | Very low | 39 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | 34.9 | 106.9 | 156 | 54.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 308 | K | 37 | Very low | 38.8 | Very low | 203 Ų | 203 | 141.5 Ų | 141.5 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | | 48.1 | 109.8 | 73.3 | -67.5 | -168.5 | 174.8 | -175.2 | 0 | 115.7 | | |
| 309 | Q | 41.5 | Very low | 38.8 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | | 178.5 | 120.8 | 121.7 | -88.9 | -155.4 | -77 | 0 | 0 | 107.4 | | |
| 310 | E | 36 | Very low | 38.3 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | | 84.7 | 138 | 70.3 | -75.5 | -178.2 | 149.3 | 0 | 0 | 114.7 | | |
| 311 | G | 39.5 | Very low | 38.3 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | 102.7 | 67.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 312 | V | 34.6 | Very low | 37.9 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | | | | 71.9 | 128.6 | 78.8 | -179.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 313 | S | 35.5 | Very low | 38.1 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | | | trans | -87.4 | 153.2 | -169.3 | 175.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 314 | N | 34.1 | Very low | 37.6 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 54% | 0.54 | 77% | 0.767 | S | S | . | * | | | | 160.5 | 125.1 | 125 | -87.1 | -78.7 | 0 | 0 | 0 | 109.3 | | |
| 315 | Q | 40.1 | Very low | 37.6 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | | 82.9 | 155.2 | 63.8 | -146.7 | -146.5 | 108.3 | 0 | 0 | 113.8 | | |
| 316 | V | 34.3 | Very low | 37.5 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | | | trans | 80.2 | 146.3 | 172.8 | -170.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 317 | K | 37.3 | Very low | 37.6 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | | | cis | -146 | 164.2 | 26.6 | -144.5 | 144.2 | -157.9 | 171.6 | 0 | 115.3 | | |
| 318 | K | 38.3 | Very low | 37.5 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | | | trans | -92.7 | 162 | 164 | -64.2 | 179.2 | 178.9 | 178.4 | 0 | 111.7 | | |
| 319 | S | 37 | Very low | 37.6 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | -158.3 | 119.2 | 145.8 | 51.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 320 | E | 31.4 | Very low | 37.4 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | | | | 68.5 | 133.1 | 56.2 | -65 | -160.2 | 125.7 | 0 | 0 | 114.9 | | |
| 321 | G | 38.6 | Very low | 37.6 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | | | trans | 119.2 | 133.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 322 | S | 32.1 | Very low | 37.5 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | cis | -158.9 | 158.3 | -18.2 | -129.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 323 | P | 43.8 | Very low | 37.9 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | -87.7 | 154.8 | -171.5 | 35 | -35.2 | 0 | 0 | 0 | 113.3 | | |
| 324 | N | 33.6 | Very low | 38.1 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -167 | 139.6 | 136.6 | -107.8 | -36.7 | 0 | 0 | 0 | 115.2 | | |
| 325 | Q | 38.5 | Very low | 38.3 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | | | trans | 36.8 | 129.9 | 142 | -64.2 | 170.7 | 63.4 | 0 | 0 | 121 | | |
| 326 | G | 41.9 | Very low | 38.4 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | cis | 140.8 | -175 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 327 | K | 44.6 | Very low | 38.6 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | | | trans | 66.5 | 135.7 | 172.8 | -61.4 | 167.9 | -177.8 | 169.5 | 0 | 114.3 | | |
| 328 | K | 38.6 | Very low | 38.5 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | cis | -143.2 | 152.6 | 1.2 | -108.7 | 175.4 | 178 | -168.9 | 0 | 107.5 | | |
| 329 | A | 39 | Very low | 38.6 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | | 50.8 | 141 | 97.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 330 | E | 36 | Very low | 38.5 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | cis | -164.7 | 146.4 | 20.4 | -155.2 | 168.5 | 127.3 | 0 | 0 | 112.9 | | |
| 331 | G | 40.3 | Very low | 38.9 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 63.8 | 155.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 332 | A | 38.6 | Very low | 38.7 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | cis | -158.8 | 143.3 | -21.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 333 | P | 42.4 | Very low | 39.4 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | | | trans | -97.9 | 141.6 | 179.8 | 35.9 | -32.5 | 0 | 0 | 0 | 113.7 | | |
| 334 | N | 39.9 | Very low | 38.9 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | trans | -152 | 107.4 | 170.8 | -145.2 | 0.4 | 0 | 0 | 0 | 107.6 | | |
| 335 | Q | 38 | Very low | 39.3 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | | 61.7 | 122.1 | 67.1 | -73.6 | -143.8 | 63.2 | 0 | 0 | 115.8 | | |
| 336 | G | 41.3 | Very low | 39.3 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | | | trans | 147.1 | 91.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 337 | K | 39 | Very low | 39.5 | Very low | 190 Ų | 190 | 139 Ų | 139 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | | 57.6 | 132.6 | 75.4 | -61.3 | 176.9 | -177.5 | 172.7 | 0 | 112.6 | | |
| 338 | K | 35.9 | Very low | 39.5 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | cis | -178 | 165.3 | -15.9 | -142.1 | -178.4 | -174.2 | -173.1 | 0 | 107.2 | | |
| 339 | K | 40.1 | Very low | 39.6 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | 75.9 | 120.2 | 160.3 | -61.3 | -177.4 | 171.9 | -171.5 | 0 | 120.8 | | |
| 340 | D | 35.5 | Very low | 40 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | | 47.7 | 122.9 | 114.4 | -37.1 | -41.4 | 0 | 0 | 0 | 121.4 | | |
| 341 | G | 39.9 | Very low | 40.3 | Very low | 81 Ų | 81 | 136 Ų | 136 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -170 | 125.6 | 168 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 342 | S | 34.3 | Very low | 40.4 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -75.2 | 171.6 | -171.4 | -106.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 343 | P | 45.8 | Very low | 40.9 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -95.5 | 175.2 | -165 | 38.8 | -38.5 | 0 | 0 | 0 | 116.4 | | |
| 344 | S | 32.9 | Very low | 41.1 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 78.4 | 101.1 | 152.9 | -159.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 345 | Q | 43.6 | Very low | 41.4 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -142.6 | 133.7 | 143 | -64 | -170.1 | 10.5 | 0 | 0 | 107.3 | | |
| 346 | A | 37.6 | Very low | 41.6 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | | | cis | 88.6 | 87.8 | 34.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 347 | K | 45.3 | Very low | 41.9 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 81% | 0.809 | 82% | 0.816 | S | S | * | * | | | trans | 175.9 | 138.7 | 163.9 | -95.9 | 143.2 | -173.7 | 168 | 0 | 107 | | |
| 348 | K | 45 | Very low | 42.1 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | | | cis | -136.5 | 141.6 | 0.7 | -90.7 | 150 | 163.9 | -80.1 | 0 | 110.6 | | |
| 349 | V | 41.8 | Very low | 42.7 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -41.4 | 146.7 | 148.2 | -78 | 0 | 0 | 0 | 0 | 115.3 | | |
| 350 | D | 46.8 | Very low | 42.8 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | | -149.6 | 162.1 | 129.4 | -144.3 | -60.3 | 0 | 0 | 0 | 109 | | |
| 351 | A | 41.3 | Very low | 43.4 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -156.8 | 124.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 352 | A | 43.9 | Very low | 44 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | trans | -149.1 | 121.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 353 | A | 48.3 | Very low | 44.7 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | cis | 79.9 | 88.3 | 48.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 354 | N | 46.2 | Very low | 44.7 | Very low | 164 Ų | 164 | 140 Ų | 140 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -146.9 | 150.3 | 141.6 | -149.7 | -24.3 | 0 | 0 | 0 | 110.6 | | |
| 355 | Q | 46.3 | Very low | 45.3 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -113.6 | 149.4 | -177.7 | -57.3 | -179.5 | 14.4 | 0 | 0 | 109.9 | | |
| 356 | G | 43.7 | Very low | 45.5 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -167.3 | 83.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 357 | K | 46.2 | Very low | 46 | Very low | 209 Ų | 209 | 145.2 Ų | 145.2 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | | | trans | -77.6 | 130.8 | 172.6 | -58.6 | 174.3 | -175.9 | 175 | 0 | 110.1 | | |
| 358 | K | 44.4 | Very low | 45.8 | Very low | 211 Ų | 211 | 146.6 Ų | 146.6 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | | | trans | -156.1 | 155.8 | 137.7 | -124.4 | 178.8 | -178.9 | -175.4 | 0 | 112.4 | | |
| 359 | S | 48 | Very low | 46 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | | | trans | -115.8 | 179.9 | -172.7 | 49 | 0 | 0 | 0 | 0 | 111.4 | | |
| 360 | E | 42 | Very low | 46 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | trans | 95 | 148.7 | 152.8 | -141 | 173.8 | 122.9 | 0 | 0 | 118.1 | | |
| 361 | M | 48.2 | Very low | 46.3 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | | | trans | 65.4 | 131.2 | 177 | -53.8 | 176.6 | 76.2 | 0 | 0 | 116.5 | | |
| 362 | A | 52.5 | Low | 46.6 | Very low | 81 Ų | 81 | 143 Ų | 143 | 67% | 0.669 | 83% | 0.833 | S | S | * | * | | | cis | -163.6 | 160.5 | -12.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 363 | P | 48.4 | Very low | 47 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | | | trans | -119.9 | 111.8 | 149.6 | 33.2 | -21.5 | 0 | 0 | 0 | 110.6 | | |
| 364 | A | 46.9 | Very low | 47.2 | Very low | 99 Ų | 99 | 146 Ų | 146 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -102.8 | 156.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 365 | Q | 43.9 | Very low | 47.5 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | | | trans | -81.8 | 144.3 | -168.5 | -62 | 165.9 | -52.8 | 0 | 0 | 113.6 | | |
| 366 | G | 47.7 | Very low | 47.4 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -118.5 | 129.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 367 | Q | 49.1 | Very low | 48 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | trans | -77.5 | 162.6 | -160.9 | -65.3 | 168.5 | -16.6 | 0 | 0 | 115.3 | | |
| 368 | K | 41.5 | Very low | 48.3 | Very low | 214 Ų | 214 | 140.9 Ų | 140.9 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | -88.3 | 127.9 | 163.8 | -64.5 | -178.6 | -179.2 | -179.8 | 0 | 110.6 | | |
| 369 | A | 48.6 | Very low | 48.7 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | trans | -153.3 | 123.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 370 | S | 42.3 | Very low | 48.8 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | | 61.1 | 84.9 | 55.7 | 80.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 371 | M | 52 | Low | 49.3 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | | | trans | -144.7 | 134.6 | 159 | -157.8 | 161.4 | -178.5 | 0 | 0 | 110 | | |
| 372 | V | 49.3 | Very low | 49.8 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | | | trans | -116.5 | 124.8 | -174.9 | 171.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 373 | Q | 50.9 | Low | 49.8 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | trans | -138.4 | 122.6 | 156.3 | -78 | 178.2 | -34.2 | 0 | 0 | 105.8 | | |
| 374 | S | 54.1 | Low | 50 | Low | 91 Ų | 91 | 139.9 Ų | 139.9 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | | | cis | 72.4 | 82.9 | 34.5 | -52.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 375 | Q | 51.2 | Low | 50.3 | Low | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -154.2 | 116.8 | 134.3 | -101.7 | 145.3 | 99.1 | 0 | 0 | 105.7 | | |
| 376 | E | 43.6 | Very low | 50.8 | Low | 171 Ų | 171 | 145.2 Ų | 145.2 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | | 90.4 | 99.7 | 78 | -163.7 | 170.1 | 152.7 | 0 | 0 | 109.5 | | |
| 377 | A | 57.9 | Low | 51 | Low | 88 Ų | 88 | 150.8 Ų | 150.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | | 86.9 | 163.4 | 51.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 378 | P | 51.4 | Low | 51.4 | Low | 100 Ų | 100 | 146.7 Ų | 146.7 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | | -141.7 | 178.4 | -57.3 | 42.6 | -28.5 | 0 | 0 | 0 | 115.3 | | |
| 379 | K | 53.6 | Low | 52 | Low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | 65.9 | 126.3 | 153.9 | -68.5 | 161.8 | -174.7 | 176.6 | 0 | 121.4 | | |
| 380 | Q | 49.8 | Very low | 52.3 | Low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | | 175.3 | 123.7 | 125.3 | -96.2 | 172.3 | 17.2 | 0 | 0 | 106.9 | | |
| 381 | D | 51.8 | Low | 52.8 | Low | 152 Ų | 152 | 146.9 Ų | 146.9 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | cis | 67.4 | 87 | 26.9 | -79.1 | -52.3 | 0 | 0 | 0 | 116.5 | | |
| 382 | A | 59.1 | Low | 53 | Low | 101 Ų | 101 | 147.9 Ų | 147.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -165.7 | 146.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 383 | P | 53.5 | Low | 53.4 | Low | 132 Ų | 132 | 151.8 Ų | 151.8 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | | | trans | -117.6 | 177.2 | -168.3 | 42.7 | -34 | 0 | 0 | 0 | 116.8 | | |
| 384 | A | 51.3 | Low | 53.7 | Low | 94 Ų | 94 | 146.6 Ų | 146.6 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -47 | 148.9 | -177 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 385 | K | 53.9 | Low | 54.1 | Low | 212 Ų | 212 | 150.2 Ų | 150.2 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | | | trans | -156.8 | 143.8 | 144.1 | -111.1 | 151.5 | -170 | 171.1 | 0 | 115.6 | | |
| 386 | K | 53.9 | Low | 54.5 | Low | 198 Ų | 198 | 148.2 Ų | 148.2 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -50.7 | 144.2 | 179.5 | -51.5 | 163.1 | 179.1 | 179.1 | 0 | 115.5 | | |
| 387 | K | 52.7 | Low | 55.4 | Low | 194 Ų | 194 | 145.9 Ų | 145.9 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | | -176.3 | 119.5 | 127.4 | -103.5 | 173.7 | -178.3 | -177.4 | 0 | 110.1 | | |
| 388 | S | 56.8 | Low | 55.5 | Low | 112 Ų | 112 | 151.6 Ų | 151.6 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | | | | 61 | 127.6 | 99.7 | 73.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 389 | G | 54.3 | Low | 55.7 | Low | 73 Ų | 73 | 154.2 Ų | 154.2 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | | | cis | 163 | -165.5 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 390 | S | 54.3 | Low | 55.8 | Low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 85% | 0.851 | S | S | * | * | | | trans | 58.2 | 106.1 | 171.7 | -154.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 391 | R | 54.1 | Low | 56.1 | Low | 237 Ų | 237 | 150.7 Ų | 150.7 | 89% | 0.894 | 85% | 0.85 | S | S | * | * | | | | 55.3 | 93.2 | 77.1 | -66.7 | -173.3 | 173 | -171.3 | -0.9 | 115.9 | | |
| 392 | K | 55.3 | Low | 56.4 | Low | 203 Ų | 203 | 150.6 Ų | 150.6 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | | | trans | -160 | 130.4 | 136.9 | -104.8 | -178.8 | 175.3 | -177.3 | 0 | 105.2 | | |
| 393 | K | 57.3 | Low | 56.2 | Low | 205 Ų | 205 | 153.7 Ų | 153.7 | 89% | 0.891 | 85% | 0.853 | S | S | * | * | | | cis | 75.1 | 122.4 | 25.7 | -155.6 | -172.3 | -179.9 | -168.8 | 0 | 113.9 | | |
| 394 | G | 57.7 | Low | 56.4 | Low | 62 Ų | 62 | 155.1 Ų | 155.1 | 64% | 0.639 | 85% | 0.852 | S | S | * | * | | | trans | 91.3 | 128.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 395 | E | 62.9 | Low | 56.8 | Low | 167 Ų | 167 | 159.5 Ų | 159.5 | 78% | 0.78 | 86% | 0.858 | S | S | * | * | | | cis | -168.9 | 158.8 | -14.9 | -133.6 | 160.6 | 135.6 | 0 | 0 | 108.2 | | |
| 396 | P | 58.7 | Low | 57 | Low | 128 Ų | 128 | 155.5 Ų | 155.5 | 83% | 0.831 | 85% | 0.853 | S | S | * | * | | | trans | -143.8 | 83 | 148.3 | 35.3 | -17.6 | 0 | 0 | 0 | 112.4 | | |
| 397 | V | 63 | Low | 57.2 | Low | 121 Ų | 121 | 151.9 Ų | 151.9 | 73% | 0.733 | 85% | 0.852 | S | S | * | * | | | trans | -144.8 | 90.7 | 170.1 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 398 | C | 59.9 | Low | 57.6 | Low | 209 Ų | 209 | 148.1 Ų | 148.1 | 100% | 1.412 | 85% | 0.853 | S | S | * | * | | | trans | -178.1 | 0 | 144.5 | -110.4 | 0 | 0 | 0 | 0 | 109.7 | | |