| 1 | M | 58.7 | Low | 78.5 | Confident | 207 Ų | 207 | 118.8 Ų | 118.8 | 100% | 1.02 | 63% | 0.625 | S | S | * | * | | | | 0 | 101.4 | 0 | -89.5 | 67.8 | 179.1 | 0 | 0 | 106.6 | I3 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.48Å; M1-I3 VanDerWaalsContact O-N 3.15Å |
| 2 | D | 65.2 | Low | 79.7 | Confident | 138 Ų | 138 | 117.3 Ų | 117.3 | 74% | 0.738 | 62% | 0.624 | S | S | * | * | | | trans | -101.5 | 71.8 | -156.4 | -61.4 | -99.5 | 0 | 0 | 0 | 107.1 | Y4 D5 | D2-Y4 PolarHBondContact O-N 3.48Å; D2-D5 PolarHBondContact O-N 3.38Å |
| 3 | I | 65.1 | Low | 80.8 | Confident | 128 Ų | 128 | 115.2 Ų | 115.2 | 66% | 0.656 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -13.6 | -174.3 | -62.7 | 165.9 | 0 | 0 | 0 | 111.8 | M1 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.48Å; M1-I3 VanDerWaalsContact O-N 3.15Å |
| 4 | Y | 71.9 | Confident | 81.7 | Confident | 201 Ų | 201 | 116.4 Ų | 116.4 | 79% | 0.788 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 10.7 | 178.9 | -62.7 | -77.4 | 0 | 0 | 0 | 114.6 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.48Å; Y4-T6 PolarHBondContact O-N 2.85Å |
| 5 | D | 84.4 | Confident | 82.7 | Confident | 67 Ų | 67 | 110.7 Ų | 110.7 | 36% | 0.358 | 60% | 0.595 | S | S | . | * | | | trans | -56.4 | 124 | 166.2 | 161.4 | 49.2 | 0 | 0 | 0 | 110.4 | D2 Q7 T8 L9 | D2-D5 PolarHBondContact O-N 3.38Å; D5-Q7 PolarHBondContact O-N 3.39Å; D5-Q7 PolarHBondContact OD1-N 3.36Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.49Å; D5-T8 PolarHBondContact O-N 3.5Å; D5-T8 VanDerWaalsContact OD2-CB 3.27Å; D5-T8 WeakPolarHBondContact OD2-CB 3.42Å; D5-T8 PolarHBondContact OD2-N 3.43Å; D5-T8 PolarHBondContact OD2-OG1 3.32Å; D5-L9 WeakPolarHBondContact O-CB 3.45Å; D5-L9 PolarHBondContact O-N 3.31Å |
| 6 | T | 82.1 | Confident | 83.6 | Confident | 121 Ų | 121 | 105.9 Ų | 105.9 | 74% | 0.742 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.1 | -32.3 | -176 | -48.6 | 0 | 0 | 0 | 0 | 112.6 | Y4 G10 | Y4-T6 PolarHBondContact O-N 2.85Å; T6-G10 PolarHBondContact O-N 3.17Å |
| 7 | Q | 82.2 | Confident | 84.3 | Confident | 156 Ų | 156 | 108 Ų | 108 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.1 | -48.8 | 176.5 | 179.3 | 175 | 90.7 | 0 | 0 | 110.7 | D5 G10 V11 | D5-Q7 PolarHBondContact O-N 3.39Å; D5-Q7 PolarHBondContact OD1-N 3.36Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.49Å; Q7-G10 PolarHBondContact O-N 2.92Å; Q7-V11 WeakPolarHBondContact O-CG2 3.36Å; Q7-V11 PolarHBondContact O-N 3.32Å |
| 8 | T | 85 | Confident | 85 | Confident | 69 Ų | 69 | 107.7 Ų | 107.7 | 42% | 0.423 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.7 | -46.3 | 175.9 | -60 | 0 | 0 | 0 | 0 | 111.5 | D5 G10 V11 V12 | D5-T8 PolarHBondContact O-N 3.5Å; D5-T8 VanDerWaalsContact OD2-CB 3.27Å; D5-T8 WeakPolarHBondContact OD2-CB 3.42Å; D5-T8 PolarHBondContact OD2-N 3.43Å; D5-T8 PolarHBondContact OD2-OG1 3.32Å; T8-G10 VanDerWaalsContact C-N 3.34Å; T8-G10 PolarHBondContact O-N 3.06Å; T8-V11 PolarHBondContact O-N 3.15Å; T8-V12 WeakPolarHBondContact O-CG2 3.19Å; T8-V12 PolarHBondContact O-N 3.31Å |
| 9 | L | 88.1 | Confident | 85.6 | Confident | 83 Ų | 83 | 106.7 Ų | 106.7 | 44% | 0.435 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.4 | -38.5 | 177.2 | -170.6 | 135.1 | 0 | 0 | 0 | 111.6 | D5 V12 V13 | D5-L9 WeakPolarHBondContact O-CB 3.45Å; D5-L9 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.38Å; L9-V13 HydrophobicContact CD2-CG2 4.2Å; L9-V13 HydrophobicContact CG-CG2 4.46Å; L9-V13 WeakPolarHBondContact O-CB 3.43Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 3.39Å |
| 10 | G | 90.9 | Very high | 86.2 | Confident | 37 Ų | 37 | 106.4 Ų | 106.4 | 38% | 0.381 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.5 | -44.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T6 Q7 T8 F14 | T6-G10 PolarHBondContact O-N 3.17Å; Q7-G10 PolarHBondContact O-N 2.92Å; T8-G10 VanDerWaalsContact C-N 3.34Å; T8-G10 PolarHBondContact O-N 3.06Å; G10-F14 WeakPolarHBondContact O-CB 3.41Å; G10-F14 PolarHBondContact O-N 3.46Å |
| 11 | V | 90 | Very high | 86.7 | Confident | 100 Ų | 100 | 103.1 Ų | 103.1 | 61% | 0.606 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -41 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | Q7 T8 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.36Å; Q7-V11 PolarHBondContact O-N 3.32Å; T8-V11 PolarHBondContact O-N 3.15Å; V11-G15 WeakPolarHBondContact O-CA 3.46Å; V11-G15 PolarHBondContact O-N 3.12Å |
| 12 | V | 92.7 | Very high | 88.5 | Confident | 100 Ų | 100 | 96.1 Ų | 96.1 | 61% | 0.606 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.8 | -44.4 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | T8 L9 G16 | T8-V12 WeakPolarHBondContact O-CG2 3.19Å; T8-V12 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.38Å; V12-G16 WeakPolarHBondContact O-CA 3.36Å; V12-G16 PolarHBondContact O-N 2.95Å |
| 13 | V | 93.9 | Very high | 90 | Very high | 90 Ų | 90 | 93.9 Ų | 93.9 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.9 | -46.4 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L9 F17 | L9-V13 HydrophobicContact CD2-CG2 4.2Å; L9-V13 HydrophobicContact CG-CG2 4.46Å; L9-V13 WeakPolarHBondContact O-CB 3.43Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 3.39Å; V13-F17 WeakPolarHBondContact O-CB 3.43Å; V13-F17 PolarHBondContact O-N 2.98Å |
| 14 | F | 93.3 | Very high | 91.5 | Very high | 133 Ų | 133 | 89.3 Ų | 89.3 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.6 | -43.4 | 179.6 | -176.1 | -100.9 | 0 | 0 | 0 | 112.2 | G10 F17 M18 | G10-F14 WeakPolarHBondContact O-CB 3.41Å; G10-F14 PolarHBondContact O-N 3.46Å; F14-F17 PolarHBondContact O-N 3.27Å; F14-M18 HydrophobicContact CD1-CG 4.34Å; F14-M18 HydrophobicContact CE1-CE 3.95Å; F14-M18 HydrophobicContact CE1-CG 4.06Å; F14-M18 HydrophobicContact CE2-CE 4.06Å; F14-M18 HydrophobicContact CZ-CE 3.41Å; F14-M18 VanDerWaalsContact CZ-CE 3.41Å; F14-M18 HydrophobicContact CZ-CG 4.26Å; F14-M18 WeakPolarHBondContact O-CB 3.27Å; F14-M18 WeakPolarHBondContact O-CG 3.14Å; F14-M18 PolarHBondContact O-N 3.43Å |
| 15 | G | 96.3 | Very high | 92.5 | Very high | 31 Ų | 31 | 85.1 Ų | 85.1 | 32% | 0.32 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V11 M18 V19 | V11-G15 WeakPolarHBondContact O-CA 3.46Å; V11-G15 PolarHBondContact O-N 3.12Å; G15-M18 PolarHBondContact O-N 2.82Å; G15-V19 WeakPolarHBondContact O-CG2 3.32Å; G15-V19 PolarHBondContact O-N 3.14Å |
| 16 | G | 97.1 | Very high | 93 | Very high | 34 Ų | 34 | 88.5 Ų | 88.5 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V12 V19 V20 | V12-G16 WeakPolarHBondContact O-CA 3.36Å; V12-G16 PolarHBondContact O-N 2.95Å; G16-V19 PolarHBondContact O-N 3.42Å; G16-V20 WeakPolarHBondContact O-CB 3.34Å; G16-V20 VanDerWaalsContact O-CG2 3.32Å; G16-V20 WeakPolarHBondContact O-CG2 3.16Å; G16-V20 PolarHBondContact O-N 3.17Å |
| 17 | F | 96.3 | Very high | 93.5 | Very high | 141 Ų | 141 | 86.8 Ų | 86.8 | 62% | 0.618 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 176.5 | -177 | -98.1 | 0 | 0 | 0 | 112.5 | V13 F14 S21 | V13-F17 WeakPolarHBondContact O-CB 3.43Å; V13-F17 PolarHBondContact O-N 2.98Å; F14-F17 PolarHBondContact O-N 3.27Å; F17-S21 WeakPolarHBondContact O-CB 3.03Å; F17-S21 PolarHBondContact O-N 3.38Å; F17-S21 PolarHBondContact O-OG 2.92Å |
| 18 | M | 96.7 | Very high | 93.9 | Very high | 103 Ų | 103 | 84 Ų | 84 | 51% | 0.507 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 173.1 | -84.8 | -73.7 | -177.1 | 0 | 0 | 111.9 | F14 G15 S21 A22 | F14-M18 HydrophobicContact CD1-CG 4.34Å; F14-M18 HydrophobicContact CE1-CE 3.95Å; F14-M18 HydrophobicContact CE1-CG 4.06Å; F14-M18 HydrophobicContact CE2-CE 4.06Å; F14-M18 HydrophobicContact CZ-CE 3.41Å; F14-M18 VanDerWaalsContact CZ-CE 3.41Å; F14-M18 HydrophobicContact CZ-CG 4.26Å; F14-M18 WeakPolarHBondContact O-CB 3.27Å; F14-M18 WeakPolarHBondContact O-CG 3.14Å; F14-M18 PolarHBondContact O-N 3.43Å; G15-M18 PolarHBondContact O-N 2.82Å; M18-S21 PolarHBondContact O-N 2.8Å; M18-A22 VanDerWaalsContact O-CB 3.31Å; M18-A22 WeakPolarHBondContact O-CB 3.3Å; M18-A22 PolarHBondContact O-N 3.3Å |
| 19 | V | 97.4 | Very high | 94.1 | Very high | 88 Ų | 88 | 83.8 Ų | 83.8 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -46 | 179.3 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.32Å; G15-V19 PolarHBondContact O-N 3.14Å; G16-V19 PolarHBondContact O-N 3.42Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.39Å; V19-A22 PolarHBondContact O-N 3.12Å; V19-I23 HydrophobicContact CG1-CD1 3.76Å; V19-I23 WeakPolarHBondContact O-CB 3.1Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.15Å; V19-I23 PolarHBondContact O-N 3.4Å |
| 20 | V | 97.1 | Very high | 94 | Very high | 101 Ų | 101 | 82.6 Ų | 82.6 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | G16 I23 G24 | G16-V20 WeakPolarHBondContact O-CB 3.34Å; G16-V20 VanDerWaalsContact O-CG2 3.32Å; G16-V20 WeakPolarHBondContact O-CG2 3.16Å; G16-V20 PolarHBondContact O-N 3.17Å; V20-I23 PolarHBondContact O-N 3.47Å; V20-G24 PolarHBondContact O-N 3.01Å |
| 21 | S | 96.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 86.8 Ų | 86.8 | 27% | 0.266 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.5 | -61.6 | 0 | 0 | 0 | 0 | 112 | F17 M18 V19 G24 I25 | F17-S21 WeakPolarHBondContact O-CB 3.03Å; F17-S21 PolarHBondContact O-N 3.38Å; F17-S21 PolarHBondContact O-OG 2.92Å; M18-S21 PolarHBondContact O-N 2.8Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.39Å; S21-G24 PolarHBondContact O-N 3.36Å; S21-I25 WeakPolarHBondContact O-CB 3.15Å; S21-I25 VanDerWaalsContact O-CG1 3.27Å; S21-I25 WeakPolarHBondContact O-CG1 3.4Å; S21-I25 PolarHBondContact O-N 2.89Å |
| 22 | A | 96.4 | Very high | 93.1 | Very high | 59 Ų | 59 | 85.2 Ų | 85.2 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M18 V19 F26 | M18-A22 VanDerWaalsContact O-CB 3.31Å; M18-A22 WeakPolarHBondContact O-CB 3.3Å; M18-A22 PolarHBondContact O-N 3.3Å; V19-A22 PolarHBondContact O-N 3.12Å; A22-F26 WeakPolarHBondContact O-CB 3.43Å; A22-F26 PolarHBondContact O-N 3.2Å |
| 23 | I | 96.5 | Very high | 92 | Very high | 91 Ų | 91 | 87 Ų | 87 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 173.8 | -68.2 | 166.3 | 0 | 0 | 0 | 110.7 | V19 V20 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.76Å; V19-I23 WeakPolarHBondContact O-CB 3.1Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.15Å; V19-I23 PolarHBondContact O-N 3.4Å; V20-I23 PolarHBondContact O-N 3.47Å; I23-F26 PolarHBondContact O-N 3.47Å; I23-L27 HydrophobicContact CG2-CD1 3.83Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.44Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.47Å; I23-L27 PolarHBondContact O-N 3.46Å |
| 24 | G | 96.3 | Very high | 90.6 | Very high | 33 Ų | 33 | 90 Ų | 90 | 34% | 0.34 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V20 S21 L27 V28 | V20-G24 PolarHBondContact O-N 3.01Å; S21-G24 PolarHBondContact O-N 3.36Å; G24-L27 PolarHBondContact O-N 3.4Å; G24-V28 WeakPolarHBondContact O-CB 3.37Å; G24-V28 WeakPolarHBondContact O-CG2 3.21Å; G24-V28 PolarHBondContact O-N 3.02Å |
| 25 | I | 94 | Very high | 89.1 | Confident | 112 Ų | 112 | 90.2 Ų | 90.2 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | 176 | -65.9 | 163.9 | 0 | 0 | 0 | 110.9 | S21 S29 | S21-I25 WeakPolarHBondContact O-CB 3.15Å; S21-I25 VanDerWaalsContact O-CG1 3.27Å; S21-I25 WeakPolarHBondContact O-CG1 3.4Å; S21-I25 PolarHBondContact O-N 2.89Å; I25-S29 VanDerWaalsContact O-CB 3.22Å; I25-S29 WeakPolarHBondContact O-CB 3.22Å; I25-S29 PolarHBondContact O-N 2.79Å; I25-S29 PolarHBondContact O-OG 3.23Å |
| 26 | F | 93.7 | Very high | 87.4 | Confident | 138 Ų | 138 | 93.3 Ų | 93.3 | 61% | 0.605 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 175.8 | 179 | -95.8 | 0 | 0 | 0 | 112 | A22 I23 S29 T30 | A22-F26 WeakPolarHBondContact O-CB 3.43Å; A22-F26 PolarHBondContact O-N 3.2Å; I23-F26 PolarHBondContact O-N 3.47Å; F26-S29 PolarHBondContact O-N 2.99Å; F26-T30 HydrophobicContact CE1-CG2 4.48Å; F26-T30 VanDerWaalsContact O-CB 3.3Å; F26-T30 WeakPolarHBondContact O-CB 3.29Å; F26-T30 WeakPolarHBondContact O-CG2 3.48Å; F26-T30 PolarHBondContact O-N 3.09Å |
| 27 | L | 93.5 | Very high | 86 | Confident | 86 Ų | 86 | 95 Ų | 95 | 45% | 0.45 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 176.5 | -74 | 174.3 | 0 | 0 | 0 | 111.5 | I23 G24 S29 T30 F31 | I23-L27 HydrophobicContact CG2-CD1 3.83Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.44Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.47Å; I23-L27 PolarHBondContact O-N 3.46Å; G24-L27 PolarHBondContact O-N 3.4Å; L27-S29 PolarHBondContact O-N 3.34Å; L27-T30 PolarHBondContact O-N 2.96Å; L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 WeakPolarHBondContact O-CD2 3.37Å; L27-F31 PolarHBondContact O-N 3.48Å |
| 28 | V | 90.6 | Very high | 84.4 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 58% | 0.582 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -45.6 | 174.4 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | G24 S32 | G24-V28 WeakPolarHBondContact O-CB 3.37Å; G24-V28 WeakPolarHBondContact O-CG2 3.21Å; G24-V28 PolarHBondContact O-N 3.02Å; V28-S32 VanDerWaalsContact O-CB 3.29Å; V28-S32 WeakPolarHBondContact O-CB 3.39Å; V28-S32 PolarHBondContact O-N 2.89Å; V28-S32 PolarHBondContact O-OG 3.09Å |
| 29 | S | 89.3 | Confident | 83.2 | Confident | 66 Ų | 66 | 97.7 Ų | 97.7 | 46% | 0.462 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | I25 F26 L27 M33 | I25-S29 VanDerWaalsContact O-CB 3.22Å; I25-S29 WeakPolarHBondContact O-CB 3.22Å; I25-S29 PolarHBondContact O-N 2.79Å; I25-S29 PolarHBondContact O-OG 3.23Å; F26-S29 PolarHBondContact O-N 2.99Å; L27-S29 PolarHBondContact O-N 3.34Å; S29-M33 WeakPolarHBondContact O-CB 3.27Å; S29-M33 PolarHBondContact O-N 2.82Å |
| 30 | T | 86.6 | Confident | 81.8 | Confident | 58 Ų | 58 | 98.9 Ų | 98.9 | 36% | 0.356 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71 | -36.9 | -179.3 | -155.3 | 0 | 0 | 0 | 0 | 111.6 | F26 L27 K34 | F26-T30 HydrophobicContact CE1-CG2 4.48Å; F26-T30 VanDerWaalsContact O-CB 3.3Å; F26-T30 WeakPolarHBondContact O-CB 3.29Å; F26-T30 WeakPolarHBondContact O-CG2 3.48Å; F26-T30 PolarHBondContact O-N 3.09Å; L27-T30 PolarHBondContact O-N 2.96Å; T30-K34 WeakPolarHBondContact O-CB 3.46Å; T30-K34 PolarHBondContact O-N 2.9Å |
| 31 | F | 82.3 | Confident | 80.5 | Confident | 124 Ų | 124 | 96.8 Ų | 96.8 | 54% | 0.544 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -51.4 | 170.5 | -91.2 | -92 | 0 | 0 | 0 | 111.3 | L27 M33 K34 E35 | L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 WeakPolarHBondContact O-CD2 3.37Å; L27-F31 PolarHBondContact O-N 3.48Å; F31-M33 VanDerWaalsContact C-N 3.27Å; F31-M33 PolarHBondContact O-N 2.68Å; F31-K34 PolarHBondContact O-N 3.43Å; F31-E35 WeakPolarHBondContact O-CB 3.48Å; F31-E35 WeakPolarHBondContact O-CG 3.31Å; F31-E35 PolarHBondContact O-N 3.48Å |
| 32 | S | 79.9 | Confident | 79.3 | Confident | 67 Ų | 67 | 98.6 Ų | 98.6 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -55.9 | -40.7 | 177.7 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | V28 T36 | V28-S32 VanDerWaalsContact O-CB 3.29Å; V28-S32 WeakPolarHBondContact O-CB 3.39Å; V28-S32 PolarHBondContact O-N 2.89Å; V28-S32 PolarHBondContact O-OG 3.09Å; S32-T36 WeakPolarHBondContact O-CB 3.35Å; S32-T36 WeakPolarHBondContact O-CG2 3.28Å; S32-T36 PolarHBondContact O-N 3.36Å; S32-T36 VanDerWaalsContact O-N 3.09Å; S32-T36 PolarHBondContact O-OG1 2.8Å |
| 33 | M | 69.5 | Low | 78.4 | Confident | 137 Ų | 137 | 96.8 Ų | 96.8 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.8 | -34.7 | 176.8 | -173.7 | 176.2 | 178.8 | 0 | 0 | 112.5 | S29 F31 T36 S37 | S29-M33 WeakPolarHBondContact O-CB 3.27Å; S29-M33 PolarHBondContact O-N 2.82Å; F31-M33 VanDerWaalsContact C-N 3.27Å; F31-M33 PolarHBondContact O-N 2.68Å; M33-T36 PolarHBondContact O-OG1 2.8Å; M33-S37 WeakPolarHBondContact O-CB 3.32Å; M33-S37 PolarHBondContact O-N 3.47Å |
| 34 | K | 64.7 | Low | 77.4 | Confident | 153 Ų | 153 | 95.6 Ų | 95.6 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -78.4 | -38.2 | 179.6 | -168.4 | 172.8 | -176.6 | -179.5 | 0 | 112.6 | T30 F31 Y38 | T30-K34 WeakPolarHBondContact O-CB 3.46Å; T30-K34 PolarHBondContact O-N 2.9Å; F31-K34 PolarHBondContact O-N 3.43Å; K34-Y38 WeakPolarHBondContact O-CB 3.43Å; K34-Y38 PolarHBondContact O-N 2.74Å |
| 35 | E | 61.5 | Low | 76.4 | Confident | 139 Ų | 139 | 99.1 Ų | 99.1 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -51 | 172.6 | -65.7 | -84.6 | 108.6 | 0 | 0 | 110.3 | F31 E39 | F31-E35 WeakPolarHBondContact O-CB 3.48Å; F31-E35 WeakPolarHBondContact O-CG 3.31Å; F31-E35 PolarHBondContact O-N 3.48Å; E35-E39 PolarHBondContact O-N 2.97Å |
| 36 | T | 60.5 | Low | 75.5 | Confident | 95 Ų | 95 | 101.7 Ų | 101.7 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.9 | -44 | -178.5 | 52 | 0 | 0 | 0 | 0 | 113.5 | S32 M33 Y38 E39 E40 | S32-T36 WeakPolarHBondContact O-CB 3.35Å; S32-T36 WeakPolarHBondContact O-CG2 3.28Å; S32-T36 PolarHBondContact O-N 3.36Å; S32-T36 VanDerWaalsContact O-N 3.09Å; S32-T36 PolarHBondContact O-OG1 2.8Å; M33-T36 PolarHBondContact O-OG1 2.8Å; T36-Y38 PolarHBondContact O-N 2.82Å; T36-E39 PolarHBondContact O-N 2.89Å; T36-E40 PolarHBondContact O-N 3.46Å; T36-E40 VanDerWaalsContact O-N 3.09Å |
| 37 | S | 67.8 | Low | 74.7 | Confident | 70 Ų | 70 | 99.9 Ų | 99.9 | 49% | 0.49 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.3 | -32.4 | -177.8 | -176 | 0 | 0 | 0 | 0 | 113 | M33 A41 | M33-S37 WeakPolarHBondContact O-CB 3.32Å; M33-S37 PolarHBondContact O-N 3.47Å; S37-A41 WeakPolarHBondContact O-CB 3.17Å; S37-A41 PolarHBondContact O-N 3.3Å |
| 38 | Y | 62.7 | Low | 73.4 | Confident | 166 Ų | 166 | 102.1 Ų | 102.1 | 65% | 0.651 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.5 | -39.1 | 177.5 | -170.7 | -102.3 | 0 | 0 | 0 | 112.2 | K34 T36 A41 L42 | K34-Y38 WeakPolarHBondContact O-CB 3.43Å; K34-Y38 PolarHBondContact O-N 2.74Å; T36-Y38 PolarHBondContact O-N 2.82Å; Y38-A41 PolarHBondContact O-N 2.88Å; Y38-L42 PolarHBondContact O-N 3.29Å; Y38-L42 VanDerWaalsContact O-N 3.12Å |
| 39 | E | 70.9 | Confident | 71.9 | Confident | 135 Ų | 135 | 102.3 Ų | 102.3 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 172.9 | -141.5 | -72.2 | 133.1 | 0 | 0 | 110.5 | E35 T36 A41 L42 A43 | E35-E39 PolarHBondContact O-N 2.97Å; T36-E39 PolarHBondContact O-N 2.89Å; E39-A41 PolarHBondContact O-N 2.87Å; E39-L42 PolarHBondContact O-N 2.83Å; E39-A43 WeakPolarHBondContact O-CB 3.34Å; E39-A43 PolarHBondContact O-N 2.88Å |
| 40 | E | 67.4 | Low | 70.7 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -39 | 179.5 | -153 | -156 | 141.8 | 0 | 0 | 112.6 | T36 A43 N44 | T36-E40 PolarHBondContact O-N 3.46Å; T36-E40 VanDerWaalsContact O-N 3.09Å; E40-A43 PolarHBondContact O-N 3.31Å; E40-N44 VanDerWaalsContact O-CB 3.27Å; E40-N44 WeakPolarHBondContact O-CB 3.36Å; E40-N44 VanDerWaalsContact O-CG 3.29Å; E40-N44 PolarHBondContact O-N 3.37Å; E40-N44 PolarHBondContact O-ND2 2.91Å; E40-N44 PolarHBondContact OE1-ND2 3.32Å |
| 41 | A | 70.5 | Confident | 69.5 | Low | 56 Ų | 56 | 106.2 Ų | 106.2 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S37 Y38 E39 N44 Q45 | S37-A41 WeakPolarHBondContact O-CB 3.17Å; S37-A41 PolarHBondContact O-N 3.3Å; Y38-A41 PolarHBondContact O-N 2.88Å; E39-A41 PolarHBondContact O-N 2.87Å; A41-N44 PolarHBondContact O-N 2.95Å; A41-Q45 WeakPolarHBondContact O-CB 3.36Å; A41-Q45 PolarHBondContact O-N 2.87Å |
| 42 | L | 71.1 | Confident | 68.3 | Low | 77 Ų | 77 | 104.6 Ų | 104.6 | 40% | 0.403 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 177.2 | -138.5 | 84.1 | 0 | 0 | 0 | 111.5 | Y38 E39 R46 | Y38-L42 PolarHBondContact O-N 3.29Å; Y38-L42 VanDerWaalsContact O-N 3.12Å; E39-L42 PolarHBondContact O-N 2.83Å; L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 2.85Å; L42-R46 VanDerWaalsContact O-N 3.17Å |
| 43 | A | 76.1 | Confident | 67 | Low | 20 Ų | 20 | 109 Ų | 109 | 17% | 0.165 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E39 E40 K47 | E39-A43 WeakPolarHBondContact O-CB 3.34Å; E39-A43 PolarHBondContact O-N 2.88Å; E40-A43 PolarHBondContact O-N 3.31Å; A43-K47 WeakPolarHBondContact O-CB 3.2Å; A43-K47 WeakPolarHBondContact O-CD 3.33Å; A43-K47 WeakPolarHBondContact O-CG 3.27Å; A43-K47 PolarHBondContact O-N 2.73Å |
| 44 | N | 76.8 | Confident | 66.1 | Low | 66 Ų | 66 | 110 Ų | 110 | 35% | 0.353 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 177.9 | -76.6 | -24.7 | 0 | 0 | 0 | 111.8 | E40 A41 R46 K47 E48 | E40-N44 VanDerWaalsContact O-CB 3.27Å; E40-N44 WeakPolarHBondContact O-CB 3.36Å; E40-N44 VanDerWaalsContact O-CG 3.29Å; E40-N44 PolarHBondContact O-N 3.37Å; E40-N44 PolarHBondContact O-ND2 2.91Å; E40-N44 PolarHBondContact OE1-ND2 3.32Å; A41-N44 PolarHBondContact O-N 2.95Å; N44-R46 VanDerWaalsContact C-N 3.34Å; N44-R46 PolarHBondContact O-N 3.44Å; N44-K47 CarbonylContact O-C 3.59Å; N44-K47 PolarHBondContact O-N 2.88Å; N44-K47 VanDerWaalsContact O-N 3.14Å; N44-E48 WeakPolarHBondContact O-CB 3.44Å; N44-E48 PolarHBondContact O-N 2.86Å |
| 45 | Q | 75.3 | Confident | 65.5 | Low | 107 Ų | 107 | 109.8 Ų | 109.8 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 175.6 | -160.9 | -84.4 | -23.2 | 0 | 0 | 111.5 | A41 E48 M49 | A41-Q45 WeakPolarHBondContact O-CB 3.36Å; A41-Q45 PolarHBondContact O-N 2.87Å; Q45-E48 PolarHBondContact O-N 3.47Å; Q45-M49 PolarHBondContact NE2-SD 3.47Å; Q45-M49 WeakPolarHBondContact O-CG 3.16Å; Q45-M49 PolarHBondContact O-N 3.37Å; Q45-M49 VanDerWaalsContact O-N 3.17Å |
| 46 | R | 73.7 | Confident | 64.6 | Low | 166 Ų | 166 | 112.7 Ų | 112.7 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -44.9 | 170.3 | -72.7 | 175.5 | 174.2 | 174.4 | -1.1 | 113.1 | L42 N44 E48 A50 | L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 2.85Å; L42-R46 VanDerWaalsContact O-N 3.17Å; N44-R46 VanDerWaalsContact C-N 3.34Å; N44-R46 PolarHBondContact O-N 3.44Å; R46-E48 VanDerWaalsContact C-N 3.32Å; R46-E48 PolarHBondContact O-N 2.83Å; R46-A50 PolarHBondContact O-N 2.9Å; R46-A50 VanDerWaalsContact O-N 3.12Å |
| 47 | K | 78 | Confident | 63.9 | Low | 101 Ų | 101 | 111.3 Ų | 111.3 | 44% | 0.439 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.9 | -33.2 | 178.1 | -72.8 | 161.1 | -169.6 | 164 | 0 | 112.4 | A43 N44 K51 | A43-K47 WeakPolarHBondContact O-CB 3.2Å; A43-K47 WeakPolarHBondContact O-CD 3.33Å; A43-K47 WeakPolarHBondContact O-CG 3.27Å; A43-K47 PolarHBondContact O-N 2.73Å; N44-K47 CarbonylContact O-C 3.59Å; N44-K47 PolarHBondContact O-N 2.88Å; N44-K47 VanDerWaalsContact O-N 3.14Å; K47-K51 WeakPolarHBondContact O-CB 3.44Å; K47-K51 WeakPolarHBondContact O-CD 3.41Å; K47-K51 WeakPolarHBondContact O-CG 3.31Å; K47-K51 PolarHBondContact O-N 3.22Å; K47-K51 VanDerWaalsContact O-N 3.15Å |
| 48 | E | 66.6 | Low | 62.9 | Low | 133 Ų | 133 | 116.7 Ų | 116.7 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.3 | -50.9 | 178.2 | -168.8 | 176.3 | 146.7 | 0 | 0 | 111 | N44 Q45 R46 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.44Å; N44-E48 PolarHBondContact O-N 2.86Å; Q45-E48 PolarHBondContact O-N 3.47Å; R46-E48 VanDerWaalsContact C-N 3.32Å; R46-E48 PolarHBondContact O-N 2.83Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 2.87Å; E48-K51 PolarHBondContact O-N 2.73Å; E48-T52 WeakPolarHBondContact O-CG2 3.43Å; E48-T52 PolarHBondContact O-N 2.71Å; E48-T52 PolarHBondContact O-OG1 2.95Å |
| 49 | M | 58.6 | Low | 62.2 | Low | 99 Ų | 99 | 117.6 Ų | 117.6 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -54.9 | -45.8 | 175.2 | -68.3 | -172.4 | -60.7 | 0 | 0 | 111.7 | Q45 K51 T52 H53 | Q45-M49 PolarHBondContact NE2-SD 3.47Å; Q45-M49 WeakPolarHBondContact O-CG 3.16Å; Q45-M49 PolarHBondContact O-N 3.37Å; Q45-M49 VanDerWaalsContact O-N 3.17Å; M49-K51 PolarHBondContact O-N 2.89Å; M49-T52 PolarHBondContact O-N 2.66Å; M49-T52 PolarHBondContact O-OG1 3.46Å; M49-H53 PolarHBondContact O-N 3.26Å |
| 50 | A | 63.2 | Low | 60.9 | Low | 65 Ų | 65 | 121 Ų | 121 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.1 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R46 E48 | R46-A50 PolarHBondContact O-N 2.9Å; R46-A50 VanDerWaalsContact O-N 3.12Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 2.87Å |
| 51 | K | 61.7 | Low | 59.9 | Low | 141 Ų | 141 | 125.5 Ų | 125.5 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.3 | -33 | 179.8 | -73.4 | 168.8 | -173.9 | 176.7 | 0 | 113.1 | K47 E48 M49 H53 H54 Q55 | K47-K51 WeakPolarHBondContact O-CB 3.44Å; K47-K51 WeakPolarHBondContact O-CD 3.41Å; K47-K51 WeakPolarHBondContact O-CG 3.31Å; K47-K51 PolarHBondContact O-N 3.22Å; K47-K51 VanDerWaalsContact O-N 3.15Å; E48-K51 PolarHBondContact O-N 2.73Å; M49-K51 PolarHBondContact O-N 2.89Å; K51-H53 VanDerWaalsContact C-N 3.27Å; K51-H53 PolarHBondContact O-N 2.94Å; K51-H54 PolarHBondContact O-N 2.84Å; K51-Q55 PolarHBondContact O-N 3.18Å |
| 52 | T | 56.9 | Low | 58.6 | Low | 90 Ų | 90 | 133.1 Ų | 133.1 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67 | -25.6 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | E48 M49 | E48-T52 WeakPolarHBondContact O-CG2 3.43Å; E48-T52 PolarHBondContact O-N 2.71Å; E48-T52 PolarHBondContact O-OG1 2.95Å; M49-T52 PolarHBondContact O-N 2.66Å; M49-T52 PolarHBondContact O-OG1 3.46Å |
| 53 | H | 52.9 | Low | 57.5 | Low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.745 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.8 | -43.3 | 173.8 | -164.5 | -100.5 | 0 | 0 | 0 | 112.5 | M49 K51 | M49-H53 PolarHBondContact O-N 3.26Å; K51-H53 VanDerWaalsContact C-N 3.27Å; K51-H53 PolarHBondContact O-N 2.94Å |
| 54 | H | 51.3 | Low | 56.1 | Low | 157 Ų | 157 | 144.7 Ų | 144.7 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -81.5 | -23.9 | -170 | -116.3 | -69.2 | 0 | 0 | 0 | 115.5 | K51 K56 | K51-H54 PolarHBondContact O-N 2.84Å; H54-K56 PolarHBondContact O-N 2.79Å |
| 55 | Q | 51.4 | Low | 54.7 | Low | 149 Ų | 149 | 148.6 Ų | 148.6 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 2.1 | -171.6 | -145.4 | -174.3 | 109.3 | 0 | 0 | 115.4 | K51 | K51-Q55 PolarHBondContact O-N 3.18Š|
| 56 | K | 43.8 | Very low | 53.5 | Low | 200 Ų | 200 | 149.5 Ų | 149.5 | 87% | 0.87 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -4 | 177.6 | -82.2 | -173.2 | 173.9 | 179.8 | 0 | 115 | H54 | H54-K56 PolarHBondContact O-N 2.79Š|
| 57 | G | 46 | Very low | 52.4 | Low | 66 Ų | 66 | 149.9 Ų | 149.9 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -88 | -33.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 58 | E | 46 | Very low | 51.2 | Low | 182 Ų | 182 | 155.3 Ų | 155.3 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -116.1 | 44.1 | -154 | -63.2 | -168.1 | 96.6 | 0 | 0 | 116.2 | | |
| 59 | K | 47.8 | Very low | 50.1 | Low | 185 Ų | 185 | 159.2 Ų | 159.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -128.9 | 32.4 | 179 | -83.5 | -174.7 | 174.6 | 171.3 | 0 | 116 | | |
| 60 | K | 44.3 | Very low | 49.7 | Very low | 207 Ų | 207 | 158.3 Ų | 158.3 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -127 | 25.5 | -178.2 | -147.7 | -176.2 | 177.7 | -179.4 | 0 | 116.8 | | |
| 61 | K | 46.9 | Very low | 48.6 | Very low | 208 Ų | 208 | 165.2 Ų | 165.2 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -158.3 | 67 | 174 | -158.5 | 175.4 | -178.4 | 176.4 | 0 | 116.3 | | |
| 62 | K | 42.8 | Very low | 47.9 | Very low | 216 Ų | 216 | 165.6 Ų | 165.6 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | | | trans | -157.3 | 86.2 | 158.8 | -151.3 | 167.6 | -172.3 | 174.6 | 0 | 115 | | |
| 63 | E | 47.7 | Very low | 47.4 | Very low | 164 Ų | 164 | 171 Ų | 171 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | | | trans | -137 | 156.4 | 159.3 | -150.9 | -160.7 | 119.6 | 0 | 0 | 108.6 | | |
| 64 | K | 45.5 | Very low | 47.1 | Very low | 176 Ų | 176 | 173 Ų | 173 | 77% | 0.765 | 84% | 0.842 | S | S | * | * | | | trans | 53.5 | 94.7 | 176.7 | -59.3 | -178.3 | -175.6 | 177.6 | 0 | 116.6 | | |
| 65 | T | 49.3 | Very low | 46.6 | Very low | 148 Ų | 148 | 174.2 Ų | 174.2 | 91% | 0.908 | 85% | 0.845 | S | S | * | * | | | | -164.7 | 127.4 | 118.6 | -71.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 66 | V | 50 | Low | 46.1 | Very low | 126 Ų | 126 | 174.4 Ų | 174.4 | 76% | 0.764 | 85% | 0.846 | S | S | * | * | | | trans | -121.6 | 153.4 | 174.8 | 82.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 67 | E | 50.7 | Low | 46 | Very low | 174 Ų | 174 | 173.6 Ų | 173.6 | 81% | 0.813 | 85% | 0.845 | S | S | * | * | | | trans | 53.4 | 107.9 | 172.5 | -59 | -163.3 | 118.2 | 0 | 0 | 119.3 | | |
| 68 | K | 51.2 | Low | 46.3 | Very low | 214 Ų | 214 | 178.7 Ų | 178.7 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | | | | -163.3 | 151.7 | 102.6 | -107 | 169.2 | -177.6 | 174.5 | 0 | 112.6 | | |
| 69 | K | 43.3 | Very low | 46.6 | Very low | 216 Ų | 216 | 176.3 Ų | 176.3 | 94% | 0.939 | 85% | 0.848 | S | S | * | * | | | trans | -80.5 | 143.5 | 175.1 | -68 | 172 | 178.8 | 168.2 | 0 | 110.4 | | |
| 70 | G | 50.4 | Low | 45.8 | Very low | 79 Ų | 79 | 174.9 Ų | 174.9 | 81% | 0.814 | 85% | 0.849 | S | S | * | * | | | trans | -160.5 | 111.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 71 | K | 40.4 | Very low | 46.1 | Very low | 211 Ų | 211 | 168.4 Ų | 168.4 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | | | trans | -98.5 | 121 | 174.3 | -88 | -177.2 | 174.6 | 176.9 | 0 | 109.9 | | |
| 72 | T | 48 | Very low | 46.2 | Very low | 149 Ų | 149 | 167.6 Ų | 167.6 | 91% | 0.914 | 84% | 0.838 | S | S | * | * | | | trans | -148.4 | 152 | 149.9 | -13.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 73 | K | 44.9 | Very low | 46.8 | Very low | 202 Ų | 202 | 164.6 Ų | 164.6 | 88% | 0.878 | 83% | 0.831 | S | S | * | * | | | trans | -94.8 | 159.1 | -178.7 | -65.3 | 179.6 | 176.7 | 178.4 | 0 | 111.6 | | |
| 74 | K | 47.5 | Very low | 47.6 | Very low | 205 Ų | 205 | 162.5 Ų | 162.5 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | | | | 118.3 | 143.1 | 123 | -153.8 | 177.3 | -175.6 | -174.3 | 0 | 116.1 | | |
| 75 | K | 41.5 | Very low | 47.6 | Very low | 182 Ų | 182 | 163.2 Ų | 163.2 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | | | trans | 82.9 | 77 | 161.7 | -144.7 | -172.3 | 178.9 | -159.5 | 0 | 118.8 | | |
| 76 | E | 39.7 | Very low | 47.7 | Very low | 153 Ų | 153 | 164.3 Ų | 164.3 | 72% | 0.715 | 83% | 0.832 | S | S | * | * | | | | 7.8 | 122.8 | 121.6 | -178 | -179.1 | -170.8 | 0 | 0 | 118.6 | | |
| 77 | E | 41.4 | Very low | 47.3 | Very low | 183 Ų | 183 | 164.9 Ų | 164.9 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | | | trans | -147.5 | 163.7 | 139.1 | -151.3 | 165.5 | 122.8 | 0 | 0 | 109.5 | | |
| 78 | K | 52.3 | Low | 47.6 | Very low | 173 Ų | 173 | 163.6 Ų | 163.6 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | | | trans | -101.2 | 151.3 | -164.5 | -73 | 175.6 | -177.1 | 168.8 | 0 | 113.5 | | |
| 79 | P | 52.4 | Low | 47.3 | Very low | 131 Ų | 131 | 159.9 Ų | 159.9 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -81.1 | 140.6 | -173.8 | 32.6 | -35.6 | 0 | 0 | 0 | 113.1 | | |
| 80 | N | 32.6 | Very low | 47.5 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | trans | -150.2 | 111.2 | 160.2 | -168.9 | 8.3 | 0 | 0 | 0 | 109.5 | | |
| 81 | G | 48.7 | Very low | 47.4 | Very low | 71 Ų | 71 | 159 Ų | 159 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | -144.1 | 122 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 82 | K | 49 | Very low | 48 | Very low | 192 Ų | 192 | 154.3 Ų | 154.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -84.5 | 146.3 | -165.9 | -58.4 | -178.1 | -177.8 | -179.5 | 0 | 112.1 | P84 | K82-P84 WeakPolarHBondContact O-CD 3.5Š|
| 83 | I | 56.1 | Low | 47.7 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -80.6 | 127 | 160.9 | -58 | 165.1 | 0 | 0 | 0 | 107.5 | E85 | I83-E85 HydrophobicContact CG2-CG 4.33Š|
| 84 | P | 65.3 | Low | 48.1 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -97.8 | 104.4 | 161.6 | 10.7 | 10 | 0 | 0 | 0 | 108.9 | K82 | K82-P84 WeakPolarHBondContact O-CD 3.5Š|
| 85 | E | 44 | Very low | 48.4 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -90.2 | 134.5 | 149.2 | -69.4 | -163.7 | 134.2 | 0 | 0 | 107.3 | I83 | I83-E85 HydrophobicContact CG2-CG 4.33Š|
| 86 | H | 53.1 | Low | 48.6 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | | | trans | -134.3 | 110.3 | 170.4 | -160.7 | -62 | 0 | 0 | 0 | 108 | | |
| 87 | D | 41.7 | Very low | 48.9 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -63.6 | 150.3 | 172.1 | -163.3 | -100.8 | 0 | 0 | 0 | 110.1 | | |
| 88 | L | 55.7 | Low | 48.7 | Very low | 147 Ų | 147 | 147 Ų | 147 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -140 | 81.1 | 179.4 | -99.8 | 172.2 | 0 | 0 | 0 | 111.7 | | |
| 89 | D | 44.8 | Very low | 48.5 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | 49.3 | 121.7 | 150.4 | -81.8 | -72.9 | 0 | 0 | 0 | 120.9 | | |
| 90 | P | 49.1 | Very low | 47.9 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -87.4 | 133.1 | 169.6 | 34.6 | -31.8 | 0 | 0 | 0 | 112.4 | | |
| 91 | N | 47.9 | Very low | 48.5 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -154.8 | 165.3 | 172.4 | -144.2 | -41.1 | 0 | 0 | 0 | 114.5 | | |
| 92 | V | 53.1 | Low | 48.2 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | | | trans | 71.5 | 82.2 | 169.8 | -162.2 | 0 | 0 | 0 | 0 | 117.7 | I94 | V92-I94 HydrophobicContact CG1-CG1 4.34Å; V92-I94 PolarHBondContact O-N 2.88Å |
| 93 | T | 41.2 | Very low | 48 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -55.9 | 118.7 | 156 | -61.3 | 0 | 0 | 0 | 0 | 113.7 | I95 | T93-I95 HydrophobicContact CG2-CD1 4.45Å; T93-I95 HydrophobicContact CG2-CG1 4.07Å |
| 94 | I | 53.2 | Low | 47.4 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -140.9 | 101.5 | 153.7 | -58 | -176.9 | 0 | 0 | 0 | 106.1 | V92 | V92-I94 HydrophobicContact CG1-CG1 4.34Å; V92-I94 PolarHBondContact O-N 2.88Å |
| 95 | I | 53.9 | Low | 46.8 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | | | | 80.6 | 125.5 | 69.8 | -66.7 | 169.5 | 0 | 0 | 0 | 113.5 | T93 | T93-I95 HydrophobicContact CG2-CD1 4.45Å; T93-I95 HydrophobicContact CG2-CG1 4.07Å |
| 96 | L | 44.6 | Very low | 46.8 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | 71.6 | 98.7 | 166.9 | -106.6 | 64.5 | 0 | 0 | 0 | 121.1 | | |
| 97 | K | 47.4 | Very low | 46.9 | Very low | 187 Ų | 187 | 140 Ų | 140 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | | 45.3 | 124.9 | 113.9 | -166.7 | 118.5 | 68.5 | 175.3 | 0 | 119.7 | | |
| 98 | E | 36.9 | Very low | 47 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -51.8 | 146.8 | 161.1 | -61.4 | 176.8 | 104.8 | 0 | 0 | 113.6 | | |
| 99 | P | 48 | Very low | 46.7 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | | -136.6 | 146.1 | 128.4 | 36.7 | -26.4 | 0 | 0 | 0 | 114.3 | | |
| 100 | V | 40.5 | Very low | 46.9 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | trans | -56.3 | 134.5 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 112 | | |
| 101 | R | 43.9 | Very low | 46.6 | Very low | 239 Ų | 239 | 136.8 Ų | 136.8 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -138.2 | 135.4 | 149.1 | -69.9 | -165 | -176.1 | -175.5 | 3.9 | 111 | | |
| 102 | V | 42.6 | Very low | 46.4 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | -81 | 139.4 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 103 | S | 45.5 | Very low | 46 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -120 | 115.6 | 166 | -171 | 0 | 0 | 0 | 0 | 109 | | |
| 104 | A | 42.7 | Very low | 46 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -120.8 | 120.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 105 | V | 54.2 | Low | 45.7 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -124.7 | 119 | 168.6 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 106 | A | 42.6 | Very low | 45.2 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | -99.7 | 140.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 107 | V | 56.3 | Low | 45.1 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -136.7 | 132.3 | 156 | -171.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 108 | A | 43.7 | Very low | 45.1 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -111.5 | 163.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 109 | P | 48.5 | Very low | 45.2 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -97.7 | 153.7 | -159.9 | 36.9 | -35.9 | 0 | 0 | 0 | 115.1 | | |
| 110 | T | 49.3 | Very low | 45.5 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | -170 | 137.5 | 149.4 | 3.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 111 | S | 43.7 | Very low | 45.9 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -178.9 | 154 | 130.7 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 112 | V | 41.9 | Very low | 45.8 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | -144 | 142.2 | -179 | -70.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 113 | H | 45.8 | Very low | 46.1 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -179.5 | 140.9 | 156.1 | -107.5 | -140 | 0 | 0 | 0 | 107.4 | | |
| 114 | S | 41.3 | Very low | 46.6 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | cis | 102.2 | 85.3 | 23.4 | -63.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 115 | S | 46.8 | Very low | 46.7 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -172.5 | 121.8 | 154.6 | -164.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 116 | V | 44.1 | Very low | 46.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | cis | 80.1 | 120.5 | 34 | -171.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 117 | G | 42.3 | Very low | 47.1 | Very low | 57 Ų | 57 | 127.2 Ų | 127.2 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | | | trans | 85.2 | 142.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 118 | H | 46.6 | Very low | 46.5 | Very low | 188 Ų | 188 | 126 Ų | 126 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | cis | -150.6 | 160 | -10 | -72.3 | 121.2 | 0 | 0 | 0 | 111.2 | | |
| 119 | T | 40 | Very low | 46.6 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -68.3 | 170.7 | 162 | 41.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 120 | P | 53.2 | Low | 46.2 | Very low | 105 Ų | 105 | 131 Ų | 131 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | cis | -156.9 | -174.8 | 39.5 | 46.1 | -23.4 | 0 | 0 | 0 | 120.2 | | |
| 121 | I | 49.5 | Very low | 45.6 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 40.3 | 109.1 | 140.9 | -68.4 | 162.9 | 0 | 0 | 0 | 117.2 | | |
| 122 | A | 41.7 | Very low | 45.5 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | | 80.1 | 116.3 | 58 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 123 | T | 49.5 | Very low | 45.5 | Very low | 144 Ų | 144 | 133 Ų | 133 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -144.4 | 131.4 | 171.3 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 124 | V | 54.5 | Low | 45.6 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -158.8 | 156.3 | -174.4 | 171.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 125 | P | 45.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | cis | -120 | -177.3 | -12.7 | 37.2 | -22.3 | 0 | 0 | 0 | 113.5 | | |
| 126 | A | 53.7 | Low | 46 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -154.6 | 121.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 127 | M | 51.4 | Low | 46.3 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | -155.9 | 122 | 170.6 | -95.2 | -91.9 | -73.1 | 0 | 0 | 108 | | |
| 128 | P | 43.9 | Very low | 46.6 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -145.5 | 132.3 | 138.6 | 32.5 | -14.9 | 0 | 0 | 0 | 115.6 | | |
| 129 | Q | 44.6 | Very low | 46.9 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | | | trans | 46.7 | 139.6 | 138.1 | -86.4 | 170.8 | -110.3 | 0 | 0 | 125.6 | | |
| 130 | E | 41.3 | Very low | 47.3 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | 83.2 | 107.5 | 138.8 | -74.7 | -178.3 | 100.4 | 0 | 0 | 124.4 | | |
| 131 | K | 36.8 | Very low | 47 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | | 38.6 | 113.6 | 116.9 | -94.1 | -179 | 172.7 | 177.5 | 0 | 118.5 | | |
| 132 | L | 40.4 | Very low | 46.9 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | | | | 177.4 | 142.4 | 103.1 | -94.6 | 165 | 0 | 0 | 0 | 115.2 | | |
| 133 | A | 42.3 | Very low | 47.3 | Very low | 83 Ų | 83 | 149.9 Ų | 149.9 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | | | trans | 22.4 | 130.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 134 | S | 47.9 | Very low | 47.1 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | | 95.8 | 115.4 | 125.6 | 70.3 | 0 | 0 | 0 | 0 | 124.2 | | |
| 135 | S | 43.3 | Very low | 46.8 | Very low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | 20.4 | 131.9 | 142.6 | -52 | 0 | 0 | 0 | 0 | 124.8 | | |
| 136 | P | 52.8 | Low | 46.4 | Very low | 137 Ų | 137 | 154.1 Ų | 154.1 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -75.5 | 179.4 | 163.8 | -18.7 | 34.2 | 0 | 0 | 0 | 117 | | |
| 137 | K | 51.3 | Low | 46.1 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -115.1 | 159.5 | -162.6 | -66.2 | 177 | 176 | 173.1 | 0 | 117.4 | | |
| 138 | D | 49 | Very low | 45.9 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | 16.4 | 142.4 | 150.4 | -74.4 | -98.2 | 0 | 0 | 0 | 124.4 | | |
| 139 | R | 52 | Low | 45.8 | Very low | 246 Ų | 246 | 154.7 Ų | 154.7 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | | | | -177.8 | 87.5 | 106.9 | -97.7 | 175.5 | 175.2 | -161.7 | -1.6 | 118.3 | | |
| 140 | K | 47.6 | Very low | 45.7 | Very low | 178 Ų | 178 | 155.2 Ų | 155.2 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | | | | 27.1 | 139.6 | 127.8 | -153.7 | 166.5 | -169.3 | 163.5 | 0 | 124.4 | | |
| 141 | K | 48.4 | Very low | 46 | Very low | 182 Ų | 182 | 154 Ų | 154 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 80.7 | 152.7 | 153.7 | -103.4 | 179.1 | 178.7 | 177.3 | 0 | 118.8 | | |
| 142 | K | 47.2 | Very low | 46.2 | Very low | 170 Ų | 170 | 150 Ų | 150 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | | | cis | -153.9 | 160.2 | 3.8 | -166.7 | -176.8 | 171.5 | -166.5 | 0 | 113.3 | | |
| 143 | E | 49 | Very low | 46.8 | Very low | 135 Ų | 135 | 148 Ų | 148 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | | | trans | -65 | -176.4 | 173.3 | -42.1 | 156.8 | 77.5 | 0 | 0 | 116.2 | | |
| 144 | K | 46.8 | Very low | 47 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | cis | -170.7 | 168.8 | 22.6 | -149 | -179.3 | -174.8 | 92.4 | 0 | 114.5 | | |
| 145 | K | 46.6 | Very low | 47.3 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | | | trans | 74.1 | 137.7 | 163.1 | -58.8 | -172.6 | 177.8 | -173.1 | 0 | 117.8 | | |
| 146 | V | 38.8 | Very low | 47.6 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | | | cis | 98.7 | 105.9 | 4.4 | -173.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 147 | A | 47.2 | Very low | 46.9 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | 161.2 | 165.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 148 | K | 45.7 | Very low | 46.7 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | | -172.3 | 159.9 | -50.9 | 167.2 | 147.1 | 173.6 | 165.3 | 0 | 107.3 | | |
| 149 | V | 42.4 | Very low | 46.9 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | trans | 81.3 | 140.6 | 171.6 | -170.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 150 | E | 43.8 | Very low | 47 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | cis | -155.3 | 164.4 | -31.8 | -109.4 | -168 | 145.7 | 0 | 0 | 109.9 | | |
| 151 | P | 46.3 | Very low | 46.7 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -117.5 | 151.9 | 177.4 | 39.6 | -28.4 | 0 | 0 | 0 | 115.3 | | |
| 152 | A | 42.2 | Very low | 46.3 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | | | trans | -158.2 | 165 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 153 | V | 51.3 | Low | 46.1 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | 74.3 | 92.3 | 164.6 | -161.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 154 | S | 47.5 | Very low | 45.6 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | | 41.3 | 144.1 | 119.7 | -42.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 155 | S | 54.3 | Low | 45.7 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | cis | -176.2 | 165.1 | 44.9 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 156 | I | 48.5 | Very low | 45.6 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | 66.9 | 108.4 | 156 | -62.2 | 153.8 | 0 | 0 | 0 | 117.6 | | |
| 157 | V | 39.1 | Very low | 45.9 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | | | trans | -104.8 | 139.8 | 152 | 170.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 158 | N | 47.3 | Very low | 45.6 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | trans | -115.4 | 159.2 | 168.7 | -154.3 | -7.6 | 0 | 0 | 0 | 110.5 | | |
| 159 | S | 52.1 | Low | 45.7 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | | | trans | -116.1 | -171.8 | -144.4 | -165.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 160 | I | 54.2 | Low | 45.8 | Very low | 142 Ų | 142 | 137 Ų | 137 | 73% | 0.728 | 81% | 0.807 | S | S | * | * | | | trans | 74.5 | 105.8 | 170.1 | -47.1 | 173.4 | 0 | 0 | 0 | 112.9 | V162 | I160-V162 HydrophobicContact CG2-CG2 3.94Š|
| 161 | Q | 41.6 | Very low | 45.6 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | cis | 74.1 | 71.2 | 29.4 | -154.7 | -160.8 | 110.7 | 0 | 0 | 115.4 | | |
| 162 | V | 40.6 | Very low | 45.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -144.2 | 125.4 | 158.4 | -166.1 | 0 | 0 | 0 | 0 | 109.9 | I160 | I160-V162 HydrophobicContact CG2-CG2 3.94Š|
| 163 | L | 42.4 | Very low | 45.7 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | | | trans | 155.6 | 86 | 146.4 | -106.4 | 77.5 | 0 | 0 | 0 | 110.5 | | |
| 164 | A | 39.3 | Very low | 45.3 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | trans | -158.1 | 94.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 165 | S | 48.7 | Very low | 46 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | | | trans | -166.7 | 129.4 | 161.4 | -84.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 166 | K | 44.6 | Very low | 45.5 | Very low | 215 Ų | 215 | 145.4 Ų | 145.4 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | | | trans | -146.3 | 121.9 | 165.1 | -97.2 | -165.5 | 174 | -172.9 | 0 | 109 | | |
| 167 | S | 44.2 | Very low | 45.3 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | trans | -144.1 | 111 | 169.8 | 48.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 168 | A | 42.1 | Very low | 45.7 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | | 73.3 | 107.2 | 86 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 169 | I | 46.8 | Very low | 45.7 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | | | trans | -132.6 | 115.7 | 179.7 | -62.7 | 169.7 | 0 | 0 | 0 | 107.2 | | |
| 170 | L | 44.2 | Very low | 45.8 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | | | trans | -155.1 | 97.9 | 170.7 | -95.6 | 179.1 | 0 | 0 | 0 | 109 | | |
| 171 | E | 40.6 | Very low | 45.3 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -166.1 | 130.4 | 151 | -135.8 | -176.3 | 107.6 | 0 | 0 | 110.9 | | |
| 172 | A | 46.4 | Very low | 45.9 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -168.5 | 80.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 173 | T | 43.4 | Very low | 46.7 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | trans | -144.5 | 138.9 | 165.1 | 52.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 174 | P | 44.1 | Very low | 47.7 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | | | | -155 | 170.5 | 73.8 | 40.9 | -22.2 | 0 | 0 | 0 | 116.9 | | |
| 175 | K | 61.4 | Low | 48.1 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | trans | 174.9 | 153.7 | 134.7 | -99.5 | 165.8 | -176.9 | 179.7 | 0 | 113.3 | | |
| 176 | E | 43.4 | Very low | 48 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -118.6 | -169.2 | 169.7 | -57.8 | 165 | 75.3 | 0 | 0 | 108.2 | | |
| 177 | V | 45.1 | Very low | 48.5 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | cis | -158.5 | 179.3 | 13.7 | -123.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 178 | P | 46.7 | Very low | 48.7 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | cis | -131.4 | -165 | -12.7 | 36.2 | -15.2 | 0 | 0 | 0 | 113.2 | | |
| 179 | M | 47.1 | Very low | 48.7 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -80.7 | 146.1 | 174.8 | -55 | 175.8 | 179.8 | 0 | 0 | 113.8 | | |
| 180 | V | 54.5 | Low | 48.7 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -145.6 | 130.3 | 166.3 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 181 | A | 43.3 | Very low | 48.8 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | trans | 52.7 | 109.7 | 156 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 182 | V | 55 | Low | 49.1 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | trans | -85.7 | 174 | 131.7 | -131 | 0 | 0 | 0 | 0 | 107.8 | | |
| 183 | P | 57 | Low | 48.9 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | | -151.9 | -134.2 | 55.1 | 40.1 | -11.3 | 0 | 0 | 0 | 115 | | |
| 184 | P | 64.9 | Low | 48.7 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | | | | -138.6 | 171.2 | -119.1 | 42.8 | -21.8 | 0 | 0 | 0 | 118.7 | | |
| 185 | V | 47.8 | Very low | 48.5 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | | | trans | -150.1 | 127.2 | 160.5 | -163.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 186 | G | 46.5 | Very low | 47.5 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | 73.2 | 151.4 | 142 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 187 | S | 54.1 | Low | 47.5 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | cis | -159.9 | 114.6 | -9.5 | -81.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 188 | K | 47.5 | Very low | 47.4 | Very low | 205 Ų | 205 | 122.3 Ų | 122.3 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | 45.1 | 141.4 | 142.6 | -60.9 | -173.3 | 177 | -176.5 | 0 | 123.9 | | |
| 189 | A | 43.9 | Very low | 47.2 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | 75.5 | 145.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 190 | S | 45.7 | Very low | 47 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | cis | -161.9 | 154.7 | -18.6 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 191 | S | 46 | Very low | 46.4 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -83.1 | -166.1 | -178.4 | -46.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 192 | P | 48.4 | Very low | 46.2 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | | -128.9 | -177.6 | -77.5 | 39.7 | -23.6 | 0 | 0 | 0 | 112.8 | | |
| 193 | A | 40.5 | Very low | 45.5 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | 173.5 | 124.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 194 | T | 39 | Very low | 44.8 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | | | | 46.2 | 142.1 | 126.9 | -42.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 195 | S | 40.1 | Very low | 43.8 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | 95.2 | 149.9 | 166.3 | 80.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 196 | S | 40.8 | Very low | 43.5 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 60% | 0.601 | 80% | 0.804 | S | S | * | * | | | cis | -165.6 | 153.2 | -28.3 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 197 | Q | 44.7 | Very low | 43.4 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | | | trans | 56.5 | 129.7 | 163.4 | -70 | 148.2 | -72.8 | 0 | 0 | 119.6 | | |
| 198 | G | 42.1 | Very low | 42.8 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | -151.7 | -14.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 199 | K | 43.3 | Very low | 42.7 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | | | trans | 63.1 | 124.7 | 177.2 | -62.2 | 172.9 | 178.2 | 169.2 | 0 | 118.8 | | |
| 200 | K | 42.9 | Very low | 42.7 | Very low | 213 Ų | 213 | 139.4 Ų | 139.4 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | | | trans | 60.3 | 141.8 | 149.2 | -58.3 | -179.4 | 178.9 | -172.5 | 0 | 118.2 | | |
| 201 | G | 41.3 | Very low | 42.4 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | cis | -179.4 | 160.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 202 | Q | 38.7 | Very low | 42.2 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 98% | 0.981 | 83% | 0.831 | S | S | * | * | | | trans | -72.4 | 147.7 | 179.1 | -68.6 | 177.1 | -10.9 | 0 | 0 | 112.1 | | |
| 203 | G | 41 | Very low | 41.8 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | | | trans | -159.2 | 139.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 204 | A | 42.3 | Very low | 41.8 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | trans | -78.4 | 144.4 | -161 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 205 | Q | 43.2 | Very low | 42 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 77% | 0.771 | 83% | 0.825 | S | S | * | * | | | trans | -13 | 119 | 134.8 | 176.2 | -162.5 | -15 | 0 | 0 | 115.9 | | |
| 206 | N | 42.8 | Very low | 41.8 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 83% | 0.826 | S | S | * | * | | | | -178.6 | 168.1 | 116.4 | -103.2 | -39.5 | 0 | 0 | 0 | 113.8 | | |
| 207 | Q | 43.5 | Very low | 41.8 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | | | trans | -79.5 | 145 | -177.9 | -58.7 | 175.8 | 5.3 | 0 | 0 | 112.7 | | |
| 208 | A | 40.9 | Very low | 41.6 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | | | trans | -150.2 | 102.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 209 | K | 46.5 | Very low | 41.5 | Very low | 203 Ų | 203 | 149.5 Ų | 149.5 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | | | trans | -172.2 | 94.7 | 152.8 | -104.9 | 162.3 | -175.5 | 178.5 | 0 | 107.1 | | |
| 210 | K | 42.2 | Very low | 41.2 | Very low | 213 Ų | 213 | 149.7 Ų | 149.7 | 93% | 0.926 | 85% | 0.846 | S | S | * | * | | | | 56.5 | 110.4 | 93.2 | -78 | -163.3 | 171.3 | -171.3 | 0 | 113 | | |
| 211 | G | 40 | Very low | 41 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | | | trans | 175.6 | 38.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 212 | E | 42.7 | Very low | 41 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 95% | 0.949 | 85% | 0.846 | S | S | * | * | | | trans | -89.3 | 124.5 | 176.5 | -172.9 | 176.6 | -179.1 | 0 | 0 | 109.3 | | |
| 213 | G | 40.1 | Very low | 40.9 | Very low | 70 Ų | 70 | 142.4 Ų | 142.4 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | | | trans | 178.5 | 91.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 214 | A | 39.6 | Very low | 40.7 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | | | trans | 47.8 | 122.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 215 | Q | 42.7 | Very low | 40.6 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 83% | 0.827 | 84% | 0.839 | S | S | * | * | | | trans | 69.8 | 119 | 131 | -71 | 178.9 | -115.3 | 0 | 0 | 122.9 | | |
| 216 | N | 37.2 | Very low | 40.4 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 84% | 0.843 | S | S | * | * | | | trans | -56.5 | 128.5 | 140.3 | -90.5 | -49.7 | 0 | 0 | 0 | 111.5 | | |
| 217 | Q | 40.1 | Very low | 40.4 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 91% | 0.911 | 84% | 0.844 | S | S | * | * | | | | 171.4 | 141.5 | 124.5 | -95.6 | 177.5 | 79.5 | 0 | 0 | 110.7 | | |
| 218 | G | 39.8 | Very low | 40 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | trans | 169.4 | 69.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 219 | K | 41.8 | Very low | 39.9 | Very low | 204 Ų | 204 | 147.6 Ų | 147.6 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | | | trans | -86.1 | 137 | 166.3 | -85.2 | -175 | 176.3 | 177.4 | 0 | 110.1 | | |
| 220 | K | 36.5 | Very low | 39.5 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | | | trans | 55.7 | 121.1 | 162.8 | -73.7 | -168.6 | 161.8 | -159.5 | 0 | 117.7 | | |
| 221 | G | 38.8 | Very low | 39.4 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | trans | -145.8 | 113.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 222 | E | 40.4 | Very low | 39.5 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | | | trans | -80.5 | 136.7 | 165.3 | -79.2 | 172.4 | 75.8 | 0 | 0 | 108.7 | | |
| 223 | G | 37.1 | Very low | 39.2 | Very low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | -151.4 | 71.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q225 | G223-Q225 PolarHBondContact O-N 3.15Š|
| 224 | A | 37.1 | Very low | 39 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | | | trans | -76.5 | 105.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 225 | Q | 40.8 | Very low | 39.1 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 84% | 0.84 | S | S | * | * | | | trans | -127.4 | 84.1 | 172.3 | -166.6 | 168.8 | -3 | 0 | 0 | 111.4 | G223 Q227 | G223-Q225 PolarHBondContact O-N 3.15Å; Q225-Q227 HydrophobicContact CG-CG 4.42Å |
| 226 | N | 37.3 | Very low | 38.9 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | | | trans | -90.9 | 97.5 | 168.9 | -171.3 | 10.5 | 0 | 0 | 0 | 108.8 | | |
| 227 | Q | 42.7 | Very low | 39.3 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 84% | 0.841 | S | S | * | * | | | trans | -128.5 | 125.4 | 170.9 | -73.9 | -163.8 | 15.3 | 0 | 0 | 110.8 | Q225 | Q225-Q227 HydrophobicContact CG-CG 4.42Š|
| 228 | A | 35.8 | Very low | 39.1 | Very low | 87 Ų | 87 | 142 Ų | 142 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | | | trans | -109.8 | 131.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 229 | K | 39.6 | Very low | 39.1 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | | | trans | 174.8 | 130.5 | 135.9 | -97.8 | 157.5 | -175.2 | 177.2 | 0 | 114.2 | | |
| 230 | K | 37.8 | Very low | 39.1 | Very low | 203 Ų | 203 | 148.6 Ų | 148.6 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | | | trans | 67.9 | 163.1 | 150.1 | -66.9 | -167.2 | 168.6 | -163.3 | 0 | 119.3 | | |
| 231 | G | 39.8 | Very low | 39 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | | | trans | 101.5 | 68.8 | -159.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 232 | E | 41.1 | Very low | 39 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | | | | 68.2 | 119.6 | 55.2 | -164.2 | 166.9 | -175.1 | 0 | 0 | 112.9 | | |
| 233 | G | 37.6 | Very low | 38.9 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | | | trans | 144.9 | 119 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 234 | A | 36.4 | Very low | 38.7 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 88% | 0.876 | 84% | 0.84 | S | S | * | * | | | trans | -104.1 | 142.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 235 | Q | 40.5 | Very low | 38.9 | Very low | 192 Ų | 192 | 148 Ų | 148 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | | | trans | -147.8 | 116.9 | 144.9 | -141.8 | 173 | -4.6 | 0 | 0 | 110.6 | | |
| 236 | N | 38.4 | Very low | 38.5 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | | | trans | -133.6 | 109.7 | 179.4 | -177 | 9.7 | 0 | 0 | 0 | 108.6 | | |
| 237 | Q | 45.9 | Very low | 38.8 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | | | trans | -136.6 | 97.7 | 167.4 | -75.5 | -158.3 | 16.9 | 0 | 0 | 110 | | |
| 238 | A | 35.6 | Very low | 38.4 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | | | trans | -88.4 | 127.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 239 | K | 41 | Very low | 38.5 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | | | trans | -172.2 | 94 | 153 | -111.4 | 169.3 | -174.6 | 179.5 | 0 | 113.2 | | |
| 240 | K | 40.1 | Very low | 38.4 | Very low | 218 Ų | 218 | 150.4 Ų | 150.4 | 95% | 0.948 | 85% | 0.847 | S | S | * | * | | | | 175.1 | 141.8 | 120.8 | -97.8 | -177.7 | 176.2 | -170.1 | 0 | 110 | | |
| 241 | G | 35 | Very low | 38.4 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | | | trans | -155.5 | 116.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 242 | E | 39.7 | Very low | 38.2 | Very low | 206 Ų | 206 | 150.6 Ų | 150.6 | 96% | 0.963 | 85% | 0.852 | S | S | * | * | | | trans | -160.9 | 148.2 | 168.9 | -90.2 | -179.4 | 112.5 | 0 | 0 | 104.8 | | |
| 243 | G | 36.9 | Very low | 38.1 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | | | cis | -150.7 | 175 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 244 | A | 34.4 | Very low | 37.8 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 88% | 0.876 | 85% | 0.851 | S | S | * | * | | | trans | -83.1 | 145 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 245 | Q | 40.1 | Very low | 38.1 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 84% | 0.841 | 85% | 0.852 | S | S | * | * | | | trans | -148.3 | 127.7 | 143.9 | -139 | 173.5 | -12.7 | 0 | 0 | 111.2 | | |
| 246 | N | 34 | Very low | 37.8 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 85% | 0.845 | S | S | * | * | | | trans | -137.5 | 100.5 | -179.6 | -173.2 | -0.1 | 0 | 0 | 0 | 109.6 | | |
| 247 | Q | 42.2 | Very low | 37.7 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 81% | 0.813 | 85% | 0.847 | S | S | * | * | | | trans | -147.2 | 146.5 | 170.3 | -63 | -173.3 | 11.6 | 0 | 0 | 108.2 | | |
| 248 | G | 35.5 | Very low | 37.4 | Very low | 67 Ų | 67 | 144.6 Ų | 144.6 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | | | cis | 147.3 | 94.7 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 249 | K | 37.6 | Very low | 37.6 | Very low | 208 Ų | 208 | 149.4 Ų | 149.4 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | | | trans | 70.6 | 110.7 | 168.1 | -54 | -179.4 | 178.1 | -177.6 | 0 | 118.9 | | |
| 250 | K | 37.8 | Very low | 37.3 | Very low | 215 Ų | 215 | 149.5 Ų | 149.5 | 94% | 0.935 | 84% | 0.842 | S | S | * | * | | | | 168.7 | 145.5 | 129.1 | -93.1 | 168.8 | -176.6 | -178.6 | 0 | 107.9 | | |
| 251 | G | 36.5 | Very low | 37 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | | | cis | -159.9 | -179.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 252 | E | 36.2 | Very low | 37.2 | Very low | 206 Ų | 206 | 148.9 Ų | 148.9 | 96% | 0.963 | 84% | 0.84 | S | S | * | * | | | trans | -71.8 | 155.4 | -173.2 | -68.9 | 156.3 | 90.9 | 0 | 0 | 114.5 | | |
| 253 | G | 38.2 | Very low | 37.1 | Very low | 82 Ų | 82 | 143 Ų | 143 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | | | trans | -163.3 | 49.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 254 | A | 32.9 | Very low | 36.9 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | | | trans | -77.5 | 127.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 255 | Q | 41.4 | Very low | 37.1 | Very low | 196 Ų | 196 | 148 Ų | 148 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | | | trans | -131.7 | 138.9 | 158.3 | -158.4 | 167 | -1.3 | 0 | 0 | 109.8 | | |
| 256 | N | 34.8 | Very low | 36.7 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 84% | 0.841 | S | S | * | * | | | trans | -139.8 | 162.9 | -159.2 | -172 | 1 | 0 | 0 | 0 | 109.6 | | |
| 257 | Q | 37.2 | Very low | 36.9 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 85% | 0.845 | S | S | * | * | | | trans | 74 | 143.4 | -178.6 | -42.1 | -179.9 | 45 | 0 | 0 | 113.2 | | |
| 258 | A | 37.8 | Very low | 36.6 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 66% | 0.661 | 85% | 0.85 | S | S | * | * | | | cis | -153.1 | 155 | 26.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 259 | K | 40.6 | Very low | 36.7 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 83% | 0.826 | 86% | 0.859 | S | S | * | * | | | trans | 54.5 | 119.7 | 150.8 | -66.8 | 172.8 | -175.7 | 176.5 | 0 | 118.3 | | |
| 260 | K | 34.2 | Very low | 36.5 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 91% | 0.913 | 86% | 0.861 | S | S | * | * | | | | 56.5 | 124.8 | 78.2 | -70 | -169.5 | 175.5 | -171 | 0 | 113.3 | | |
| 261 | G | 34.5 | Very low | 36.4 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 85% | 0.853 | S | S | * | * | | | cis | 171.3 | -166.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 262 | E | 39.4 | Very low | 36.2 | Very low | 211 Ų | 211 | 152.7 Ų | 152.7 | 99% | 0.986 | 87% | 0.865 | S | S | * | * | | | trans | 65.6 | 144.4 | 178.3 | -55.5 | -178 | 106.6 | 0 | 0 | 115.5 | | |
| 263 | G | 36.4 | Very low | 36.2 | Very low | 82 Ų | 82 | 146.2 Ų | 146.2 | 85% | 0.845 | 85% | 0.853 | S | S | * | * | | | cis | -162.8 | 140 | -9.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 264 | G | 32.6 | Very low | 35.9 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 84% | 0.835 | 86% | 0.858 | S | S | * | * | | | trans | -108.1 | 139.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 265 | Q | 39 | Very low | 36 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 97% | 0.972 | 86% | 0.856 | S | S | * | * | | | trans | -147.1 | 111.3 | 161.7 | -119 | 171.8 | 2.9 | 0 | 0 | 111.3 | | |
| 266 | N | 32.5 | Very low | 35.6 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 85% | 0.845 | 85% | 0.852 | S | S | * | * | | | trans | -108 | 108.3 | 178.5 | -146.7 | 3.6 | 0 | 0 | 0 | 107.3 | | |
| 267 | Q | 37.6 | Very low | 35.7 | Very low | 198 Ų | 198 | 148 Ų | 148 | 93% | 0.925 | 86% | 0.855 | S | S | * | * | | | trans | 179 | 114.4 | 160.1 | -108.9 | 167.1 | 99.8 | 0 | 0 | 113.3 | | |
| 268 | A | 35.5 | Very low | 35.7 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 91% | 0.909 | 85% | 0.849 | S | S | * | * | | | trans | -176.9 | 151.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 269 | K | 39 | Very low | 35.5 | Very low | 203 Ų | 203 | 153.3 Ų | 153.3 | 88% | 0.883 | 86% | 0.86 | S | S | * | * | | | trans | -140 | 142.2 | -179.8 | -161.2 | 178 | -172 | 178.2 | 0 | 109.4 | | |
| 270 | K | 33.2 | Very low | 35.2 | Very low | 216 Ų | 216 | 154.5 Ų | 154.5 | 94% | 0.939 | 87% | 0.865 | S | S | * | * | | | trans | 73.5 | 145.8 | -173.2 | -58 | -176.1 | 171.8 | -174.2 | 0 | 115.5 | | |
| 271 | G | 34.7 | Very low | 35.3 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 86% | 0.855 | S | S | * | * | | | trans | 135 | 96.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G273 | G271-G273 PolarHBondContact O-N 3.04Š|
| 272 | E | 33.5 | Very low | 35.4 | Very low | 212 Ų | 212 | 153.8 Ų | 153.8 | 99% | 0.991 | 86% | 0.86 | S | S | * | * | | | trans | -69.2 | 116.7 | 160.4 | -81.4 | 179.7 | 91.6 | 0 | 0 | 107.9 | | |
| 273 | G | 35.2 | Very low | 35.3 | Very low | 70 Ų | 70 | 148.7 Ų | 148.7 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | | | trans | -161.3 | 110.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110 | G271 S275 | G271-G273 PolarHBondContact O-N 3.04Å; G273-S275 PolarHBondContact O-N 3.22Å |
| 274 | A | 31.8 | Very low | 35.4 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 94% | 0.942 | 85% | 0.845 | S | S | * | * | | | trans | -71.7 | 116.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 275 | S | 34.8 | Very low | 35.7 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 84% | 0.839 | S | S | * | * | | | trans | -136.9 | 125.8 | 164.1 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | G273 | G273-S275 PolarHBondContact O-N 3.22Š|
| 276 | N | 33.2 | Very low | 35.6 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | -76.2 | 179.8 | 172.5 | -84 | -45.5 | 0 | 0 | 0 | 111.2 | | |
| 277 | Q | 37.9 | Very low | 36.2 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | 105.4 | 127.4 | 177.6 | -61.5 | -165.1 | 5.7 | 0 | 0 | 113.2 | | |
| 278 | N | 36.2 | Very low | 36.3 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | cis | -156.1 | 168 | 0.6 | -114.4 | -18.2 | 0 | 0 | 0 | 112.4 | | |
| 279 | R | 32.9 | Very low | 36.2 | Very low | 237 Ų | 237 | 144.3 Ų | 144.3 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | | | trans | 73.8 | 75.9 | 171.3 | -51 | -175.9 | -174 | 123.3 | 0.9 | 117.8 | | |
| 280 | K | 35.1 | Very low | 36.3 | Very low | 214 Ų | 214 | 143.4 Ų | 143.4 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | | | trans | -159.8 | 70.7 | 136.7 | -114.4 | 172.8 | -174.2 | -179.2 | 0 | 112.3 | | |
| 281 | T | 35.5 | Very low | 36.6 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | -120.7 | 155.8 | 154.2 | 65.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 282 | D | 38 | Very low | 36.5 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | cis | -126.3 | 162.5 | 25.5 | -99.4 | -73.1 | 0 | 0 | 0 | 118.3 | | |
| 283 | T | 37.2 | Very low | 36.7 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 63% | 0.632 | 79% | 0.788 | S | S | * | * | | | trans | -86.9 | 142.6 | -172.4 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | A285 | T283-A285 HydrophobicContact CG2-CB 4.05Š|
| 284 | V | 37.6 | Very low | 36.6 | Very low | 147 Ų | 147 | 142 Ų | 142 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -131 | 110.4 | 139.7 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 285 | A | 39.5 | Very low | 36.9 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | trans | -123.4 | 143.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107 | T283 | T283-A285 HydrophobicContact CG2-CB 4.05Š|
| 286 | N | 37.6 | Very low | 36.8 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | -150.7 | 100.7 | 176.6 | -153.4 | 14.6 | 0 | 0 | 0 | 113.3 | | |
| 287 | Q | 44.7 | Very low | 37.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | 61.2 | 153.1 | 155.2 | -64.6 | 173.6 | 75.8 | 0 | 0 | 118.6 | | |
| 288 | G | 39.5 | Very low | 37.2 | Very low | 72 Ų | 72 | 141.3 Ų | 141.3 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | cis | -150 | 158.7 | 2.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 289 | T | 34.1 | Very low | 37.3 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -78 | 140.8 | -174.4 | 51.8 | 0 | 0 | 0 | 0 | 114 | | |
| 290 | K | 39.7 | Very low | 37.6 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 149.1 | 158 | 133.4 | -83.7 | 168.2 | -178.2 | -176.2 | 0 | 110.3 | | |
| 291 | Q | 39.2 | Very low | 37.8 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | | | cis | -173 | 146.7 | -29 | 176.7 | 170.3 | -11.5 | 0 | 0 | 105.5 | | |
| 292 | E | 33.4 | Very low | 37.8 | Very low | 169 Ų | 169 | 140 Ų | 140 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | 12.1 | 124.7 | 164 | -60 | 163.7 | 121.6 | 0 | 0 | 120 | | |
| 293 | G | 37.4 | Very low | 38 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -173.1 | 90.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 294 | V | 32.8 | Very low | 37.9 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -92.3 | 118.7 | 176.1 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 295 | S | 39 | Very low | 38.2 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -160 | 142.6 | 146.9 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 296 | N | 33.1 | Very low | 38.2 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -81.6 | 151.9 | 162 | -59.5 | -64 | 0 | 0 | 0 | 109.7 | | |
| 297 | Q | 41.3 | Very low | 38.4 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | | -178.6 | 151.4 | 123.6 | -103.9 | 179.8 | 83.1 | 0 | 0 | 114.6 | | |
| 298 | V | 37.5 | Very low | 38.2 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | | | trans | 53 | 109.6 | 151.5 | 177.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 299 | K | 39.4 | Very low | 38.3 | Very low | 190 Ų | 190 | 142 Ų | 142 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | | 72.8 | 134.7 | 62.8 | -85.3 | -171.9 | 171 | 178.1 | 0 | 116.2 | | |
| 300 | K | 37.5 | Very low | 38.4 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | | | trans | 73.6 | 151.8 | 173.9 | -62.2 | -170.6 | 176.3 | -168 | 0 | 114.7 | | |
| 301 | S | 40.8 | Very low | 38.5 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | | | cis | -149.3 | 140.8 | 1.6 | 33.8 | 0 | 0 | 0 | 0 | 113 | | |
| 302 | E | 35.2 | Very low | 38.4 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | 39.8 | 129.8 | 131 | -59.8 | 161.8 | 120.5 | 0 | 0 | 121.8 | | |
| 303 | G | 41.2 | Very low | 38.8 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | -177.2 | 110.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 304 | S | 35.8 | Very low | 38.8 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -89.1 | 143.2 | -168.8 | -169.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 305 | P | 43.4 | Very low | 39.7 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | | | trans | -84.3 | 151.7 | 171 | 34.7 | -34.9 | 0 | 0 | 0 | 112.2 | | |
| 306 | N | 39.2 | Very low | 39.7 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | -159.6 | 135.8 | 163.2 | -146.1 | 9.8 | 0 | 0 | 0 | 116.3 | | |
| 307 | Q | 41.4 | Very low | 40.1 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | | | trans | 39.9 | 132.7 | 148.8 | -77.1 | 169.7 | 68.7 | 0 | 0 | 124.6 | | |
| 308 | G | 41.8 | Very low | 40.2 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -179.2 | 131.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 309 | K | 40.3 | Very low | 40.4 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -139.5 | 154.9 | -177.5 | -78 | -169.1 | 177 | -177 | 0 | 112.7 | | |
| 310 | K | 37.8 | Very low | 40.6 | Very low | 209 Ų | 209 | 140 Ų | 140 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | 67.5 | 162.1 | 170.3 | -57.6 | -176.1 | 173 | -171.8 | 0 | 114.4 | | |
| 311 | A | 42.2 | Very low | 40.9 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | | | cis | -143.3 | 146 | -2.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 312 | E | 37 | Very low | 40.8 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | | | | 80.7 | 134.9 | 95 | -169.1 | 169.8 | -169.2 | 0 | 0 | 115.8 | | |
| 313 | G | 41.6 | Very low | 41.1 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | trans | 157.3 | 118.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 314 | A | 36.4 | Very low | 40.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -108.9 | 164.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 315 | P | 51 | Low | 41.4 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | -96.5 | 175.2 | -164.7 | 38.9 | -37.2 | 0 | 0 | 0 | 114.9 | | |
| 316 | N | 39.3 | Very low | 40.8 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -145.3 | 168 | 165.6 | -149.5 | -14.1 | 0 | 0 | 0 | 113.7 | | |
| 317 | Q | 41.9 | Very low | 40.7 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -90.2 | 163.5 | -161.9 | -56.2 | 175.4 | 40.9 | 0 | 0 | 115.4 | | |
| 318 | G | 42.8 | Very low | 40.4 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -147.1 | 72.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 319 | K | 41.4 | Very low | 40 | Very low | 173 Ų | 173 | 137 Ų | 137 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -74.1 | 143.4 | 173.9 | -63.7 | -178.9 | -178 | 179 | 0 | 111.8 | | |
| 320 | K | 44.2 | Very low | 40 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | 176.2 | 152 | 148.2 | -99.3 | 159.2 | -179.6 | -174 | 0 | 109.6 | | |
| 321 | K | 43.6 | Very low | 39.9 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 65% | 0.648 | 78% | 0.776 | S | S | * | * | | | cis | -176.8 | 151.5 | -28.6 | -129.5 | 179.4 | 145.9 | -71.9 | 0 | 108.4 | | |
| 322 | D | 39.3 | Very low | 39.6 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | 58 | 150.9 | 158.9 | -42.7 | -36.9 | 0 | 0 | 0 | 116.6 | | |
| 323 | G | 40.7 | Very low | 39.4 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | cis | 174.4 | 172.4 | -4.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 324 | S | 34.2 | Very low | 38.9 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | cis | -160.1 | 151.2 | -8.8 | -166.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 325 | P | 50.9 | Low | 39.1 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | trans | -98.9 | 144.7 | -167.5 | 36.6 | -34.7 | 0 | 0 | 0 | 115.9 | | |
| 326 | S | 30.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 177.6 | 159.4 | 165.4 | -87.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 327 | Q | 36.7 | Very low | 38.5 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | cis | -154.9 | 128.1 | -8.8 | -111.6 | 162.6 | 68.1 | 0 | 0 | 105.6 | | |
| 328 | A | 34.3 | Very low | 38.5 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | | | | 81 | 148 | 86 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 329 | K | 34.8 | Very low | 38.5 | Very low | 181 Ų | 181 | 135 Ų | 135 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | | | trans | 84.1 | 130.2 | 159.3 | -71.1 | 169.7 | 176.3 | 167.9 | 0 | 121.2 | | |
| 330 | K | 38.9 | Very low | 38.5 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | | | trans | 75.3 | 126 | 154 | -63.9 | 157.8 | 177 | -70.6 | 0 | 115.7 | | |
| 331 | V | 36.7 | Very low | 38.5 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | | | cis | 69.8 | 124.9 | 36.2 | -51.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 332 | D | 35.4 | Very low | 38.4 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | | | trans | 92.1 | 155.6 | 151.1 | -110.1 | -58.8 | 0 | 0 | 0 | 123.1 | | |
| 333 | A | 32.2 | Very low | 38.6 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | | | trans | 64.5 | 101.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 334 | A | 32.9 | Very low | 38.9 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | | 52.8 | 164.4 | 115.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 335 | A | 39.3 | Very low | 39.6 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | 70.5 | 128.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 336 | N | 37.2 | Very low | 38.9 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | cis | 93.1 | 145.8 | 33.7 | -163.6 | 11.5 | 0 | 0 | 0 | 113.4 | | |
| 337 | Q | 41.6 | Very low | 39.6 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | 78.4 | 134.7 | -165.2 | -50.9 | -175 | 58.4 | 0 | 0 | 115.2 | | |
| 338 | G | 41.3 | Very low | 39.9 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | | | cis | 154.6 | 161.1 | -12.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 339 | K | 43.6 | Very low | 40.5 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | 71.9 | 142.6 | 178.6 | -47 | 156.6 | -170.9 | 171.5 | 0 | 112.4 | | |
| 340 | K | 40 | Very low | 40.9 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | cis | -158.9 | 163.8 | -9.1 | -117.1 | -147.2 | 151.4 | -156.2 | 0 | 105.2 | E342 | K340-E342 IonicContact NZ-OE1 2.73Å; K340-E342 PolarHBondContact NZ-OE1 2.99Å; K340-E342 IonicContact NZ-OE2 2.71Å; K340-E342 PolarHBondContact NZ-OE2 3.21Å |
| 341 | S | 45.7 | Very low | 41.3 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | | | cis | -170 | -155.4 | -2.2 | 46.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 342 | E | 41.6 | Very low | 41.7 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 59% | 0.593 | 77% | 0.765 | S | S | * | * | | | cis | -150.1 | -95.4 | 9.2 | -158 | 72.4 | 74.8 | 0 | 0 | 113.9 | K340 | K340-E342 IonicContact NZ-OE1 2.73Å; K340-E342 PolarHBondContact NZ-OE1 2.99Å; K340-E342 IonicContact NZ-OE2 2.71Å; K340-E342 PolarHBondContact NZ-OE2 3.21Å |
| 343 | M | 43 | Very low | 42.5 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | -120.7 | 117.7 | -156.1 | -88 | 158.1 | 62.8 | 0 | 0 | 116.1 | | |
| 344 | A | 45.6 | Very low | 43.3 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | | | | 61.2 | 161.1 | 108.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 345 | P | 48.8 | Very low | 43.9 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | | | cis | -128.6 | -179.7 | 8.5 | 42.6 | -27.2 | 0 | 0 | 0 | 116.2 | | |
| 346 | A | 38.2 | Very low | 44.5 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | | | trans | -147.8 | 152.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 347 | Q | 43.4 | Very low | 44.9 | Very low | 201 Ų | 201 | 132.1 Ų | 132.1 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | | | trans | -165.8 | 156 | 165.5 | -116 | -178.3 | 14.1 | 0 | 0 | 113.7 | | |
| 348 | G | 43.4 | Very low | 44.8 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | | | trans | 84.5 | 104.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 349 | Q | 46.7 | Very low | 45 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | | | cis | 66 | 134.3 | 43.8 | -54.3 | -164.4 | 34.5 | 0 | 0 | 113.6 | | |
| 350 | K | 43 | Very low | 45.2 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | | | cis | -167.9 | 159 | 1.5 | -122.5 | 172.4 | -173.4 | 155 | 0 | 111.2 | | |
| 351 | A | 48.3 | Very low | 45.7 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | trans | 60.7 | 150.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 352 | S | 44.4 | Very low | 45.7 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | cis | -162.6 | -166.3 | -11.8 | 54.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 353 | M | 51.6 | Low | 45.9 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | cis | -154.1 | 153.7 | 2.1 | -125.6 | 136.5 | 74 | 0 | 0 | 106.7 | | |
| 354 | V | 49.2 | Very low | 46.4 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | | 51.8 | 123.5 | 94.4 | -172.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 355 | Q | 47.1 | Very low | 46.7 | Very low | 169 Ų | 169 | 134 Ų | 134 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | cis | -159.3 | 165.8 | 28.2 | -144.2 | 152.9 | 6.7 | 0 | 0 | 114.5 | | |
| 356 | S | 50.5 | Low | 46.9 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | | | trans | 63 | 128.3 | 154.9 | -71.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 357 | Q | 45.7 | Very low | 47.3 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | | 68.4 | 138 | 69.2 | -66.5 | 175.3 | 165.2 | 0 | 0 | 112.8 | | |
| 358 | E | 40.4 | Very low | 47.9 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | cis | -155.1 | -177.9 | 4.8 | -137.6 | 166.1 | 112.7 | 0 | 0 | 111.3 | | |
| 359 | A | 45.2 | Very low | 48 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | | | trans | -131.4 | -174.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 360 | P | 48.1 | Very low | 48.3 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | | | cis | -124.3 | -176.8 | -22.7 | 37.7 | -22.3 | 0 | 0 | 0 | 111.6 | | |
| 361 | K | 50.6 | Low | 48.4 | Very low | 195 Ų | 195 | 138.2 Ų | 138.2 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | | 171.2 | 164.7 | 127.7 | -94.1 | 159.4 | -173.4 | 175 | 0 | 113.9 | | |
| 362 | Q | 44.2 | Very low | 48.8 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -81.2 | 152.7 | 172.9 | -57.3 | 142.8 | -79.2 | 0 | 0 | 110.3 | | |
| 363 | D | 45.8 | Very low | 49.3 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | | | | -163.2 | 172.2 | 116.2 | -125.9 | -52 | 0 | 0 | 0 | 112.3 | | |
| 364 | A | 54.1 | Low | 49.5 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | | | trans | -109.1 | -148.9 | -160.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 365 | P | 51.4 | Low | 49.8 | Very low | 128 Ų | 128 | 151 Ų | 151 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | | -119.5 | 148.5 | -116.1 | 35.1 | -17.6 | 0 | 0 | 0 | 116 | | |
| 366 | A | 54 | Low | 50.4 | Low | 96 Ų | 96 | 146.6 Ų | 146.6 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | | | trans | -123.2 | 115.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 367 | K | 47.1 | Very low | 50.6 | Low | 209 Ų | 209 | 151.5 Ų | 151.5 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -73.7 | 131.4 | 166.9 | -63.3 | 171.4 | -178.4 | 170.7 | 0 | 109.9 | | |
| 368 | K | 54.6 | Low | 51.2 | Low | 193 Ų | 193 | 148.9 Ų | 148.9 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | -135.2 | 88.1 | 160.9 | -76.5 | -167.6 | 176.4 | 179.8 | 0 | 112.3 | S370 | K368-S370 PolarHBondContact O-N 3.24Š|
| 369 | K | 45.6 | Very low | 52 | Low | 221 Ų | 221 | 146.9 Ų | 146.9 | 96% | 0.961 | 81% | 0.812 | S | S | * | * | | | trans | -68.5 | 112.5 | 151 | -96.7 | -171.5 | 172.5 | -175.1 | 0 | 106.8 | | |
| 370 | S | 53.6 | Low | 52.6 | Low | 108 Ų | 108 | 152.8 Ų | 152.8 | 76% | 0.755 | 85% | 0.846 | S | S | * | * | | | trans | -119.1 | 89 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | K368 | K368-S370 PolarHBondContact O-N 3.24Š|
| 371 | G | 45.9 | Very low | 52.8 | Low | 85 Ų | 85 | 155 Ų | 155 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | | | trans | -84.3 | 116.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 372 | S | 55.3 | Low | 53 | Low | 98 Ų | 98 | 152.9 Ų | 152.9 | 69% | 0.685 | 85% | 0.853 | S | S | * | * | | | trans | -134.5 | 114 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 373 | R | 56.6 | Low | 53.4 | Low | 231 Ų | 231 | 151.5 Ų | 151.5 | 87% | 0.872 | 85% | 0.854 | S | S | * | * | | | trans | 11.7 | 139.3 | 131.4 | -47 | 174.3 | 180 | -177.6 | -2.8 | 114.9 | | |
| 374 | K | 55.1 | Low | 53.9 | Low | 194 Ų | 194 | 150.5 Ų | 150.5 | 84% | 0.843 | 85% | 0.852 | S | S | * | * | | | cis | -175.8 | 162.3 | 45 | -160.8 | 176.8 | 179.6 | 179.4 | 0 | 112.3 | | |
| 375 | K | 54.7 | Low | 53.9 | Low | 210 Ų | 210 | 154.7 Ų | 154.7 | 91% | 0.913 | 86% | 0.862 | S | S | * | * | | | trans | 85.6 | 120.2 | 149.9 | -142.8 | -175.6 | -174 | -167.6 | 0 | 117.6 | | |
| 376 | G | 59.3 | Low | 54 | Low | 78 Ų | 78 | 156.5 Ų | 156.5 | 80% | 0.804 | 86% | 0.864 | S | S | * | * | | | trans | 159.4 | 119.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 377 | E | 56.1 | Low | 54.1 | Low | 188 Ų | 188 | 160.8 Ų | 160.8 | 88% | 0.879 | 87% | 0.869 | S | S | * | * | | | trans | -88 | 175.6 | 179.2 | -112 | 174.2 | 90.8 | 0 | 0 | 111.1 | | |
| 378 | P | 56.9 | Low | 54.6 | Low | 109 Ų | 109 | 157.1 Ų | 157.1 | 71% | 0.708 | 87% | 0.866 | S | S | * | * | | | cis | -150.1 | -169.1 | 41.5 | 33.6 | -6.8 | 0 | 0 | 0 | 118.2 | | |
| 379 | V | 58.9 | Low | 54.6 | Low | 125 Ų | 125 | 154.1 Ų | 154.1 | 76% | 0.758 | 87% | 0.868 | S | S | * | * | | | trans | 81.6 | 95.5 | 160 | -163.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 380 | C | 57.2 | Low | 55.4 | Low | 202 Ų | 202 | 148 Ų | 148 | 100% | 1.365 | 86% | 0.86 | S | S | * | * | | | | -161.3 | 0 | 109.9 | -90.9 | 0 | 0 | 0 | 0 | 109.7 | | |