| 1 | M | 56.3 | Low | 78.8 | Confident | 228 Ų | 228 | 103.8 Ų | 103.8 | 100% | 1.123 | 53% | 0.526 | S | S | * | . | | | | 0 | 127.1 | 0 | -98 | 155.3 | 179.4 | 0 | 0 | 108.9 | A3 | M1-A3 PolarHBondContact O-N 3.07Š|
| 2 | A | 80.8 | Confident | 79.2 | Confident | 50 Ų | 50 | 105.1 Ų | 105.1 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | | | trans | -75.2 | 120.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | R4 E5 | A2-R4 PolarHBondContact O-N 3.19Å; A2-E5 HydrophobicContact CB-CG 4.16Å; A2-E5 WeakPolarHBondContact O-CB 3.41Å; A2-E5 PolarHBondContact O-N 3.13Å |
| 3 | A | 83.1 | Confident | 79.4 | Confident | 65 Ų | 65 | 102.2 Ų | 102.2 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -49.7 | -23.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 I7 | M1-A3 PolarHBondContact O-N 3.07Å; A3-I7 VanDerWaalsContact O-CD1 3.25Å; A3-I7 WeakPolarHBondContact O-CD1 3.41Å; A3-I7 WeakPolarHBondContact O-CG1 3.38Å; A3-I7 PolarHBondContact O-N 2.94Å |
| 4 | R | 79 | Confident | 80 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 40% | 0.396 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.3 | -34.1 | 176 | -162 | -178.9 | -78.5 | 157.8 | -8.4 | 114 | A2 A8 E15 V18 | A2-R4 PolarHBondContact O-N 3.19Å; R4-A8 WeakPolarHBondContact O-CB 3.41Å; R4-A8 PolarHBondContact O-N 3.01Å; R4-A8 VanDerWaalsContact O-N 3.1Å; R4-E15 WeakPolarHBondContact CD-OE1 3.37Å; R4-E15 HydrophobicContact CG-CG 3.72Å; R4-E15 IonicContact CZ-OE1 3.97Å; R4-E15 IonicContact NE-OE1 3.98Å; R4-E15 IonicContact NH1-OE1 3.11Å; R4-E15 PolarHBondContact NH1-OE1 3.1Å; R4-E15 VanDerWaalsContact NH1-OE1 3.11Å; R4-V18 HydrophobicContact CG-CG1 4.16Å |
| 5 | E | 73.3 | Confident | 80.3 | Confident | 105 Ų | 105 | 99.4 Ų | 99.4 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71 | -41.6 | 177 | -66.2 | 170.3 | 162.4 | 0 | 0 | 110.6 | A2 I7 A8 L9 | A2-E5 HydrophobicContact CB-CG 4.16Å; A2-E5 WeakPolarHBondContact O-CB 3.41Å; A2-E5 PolarHBondContact O-N 3.13Å; E5-I7 PolarHBondContact O-N 3.17Å; E5-A8 WeakPolarHBondContact O-CB 3.37Å; E5-A8 PolarHBondContact O-N 3.2Å; E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 3.01Å; E5-L9 VanDerWaalsContact O-N 3.1Å |
| 6 | E | 80.5 | Confident | 80.8 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.2 | -53.3 | 172.9 | -174.9 | 176.8 | -176.1 | 0 | 0 | 110.1 | A8 L9 W10 | E6-A8 VanDerWaalsContact C-N 3.26Å; E6-A8 PolarHBondContact O-N 3.06Å; E6-L9 WeakPolarHBondContact O-CB 3.22Å; E6-L9 PolarHBondContact O-N 2.89Å; E6-W10 PolarHBondContact O-N 3.16Å; E6-W10 VanDerWaalsContact O-N 3.12Å |
| 7 | I | 83.4 | Confident | 81.4 | Confident | 52 Ų | 52 | 102.1 Ų | 102.1 | 27% | 0.267 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -36 | 179.8 | -62.5 | 158.9 | 0 | 0 | 0 | 112.2 | A3 E5 L9 W10 T11 V18 F22 | A3-I7 VanDerWaalsContact O-CD1 3.25Å; A3-I7 WeakPolarHBondContact O-CD1 3.41Å; A3-I7 WeakPolarHBondContact O-CG1 3.38Å; A3-I7 PolarHBondContact O-N 2.94Å; E5-I7 PolarHBondContact O-N 3.17Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 3.04Å; I7-W10 PolarHBondContact O-N 3.14Å; I7-T11 HydrophobicContact CG2-CG2 4.04Å; I7-T11 WeakPolarHBondContact O-CB 3.22Å; I7-T11 WeakPolarHBondContact O-CG2 3.44Å; I7-T11 PolarHBondContact O-N 3.04Å; I7-T11 PolarHBondContact O-OG1 3.44Å; I7-V18 HydrophobicContact CB-CG1 4.34Å; I7-V18 HydrophobicContact CG2-CG1 3.85Å; I7-V18 HydrophobicContact CG2-CG2 4.43Å; I7-F22 HydrophobicContact CD1-CE2 3.84Å; I7-F22 HydrophobicContact CD1-CZ 3.83Å; I7-F22 HydrophobicContact CG2-CE2 4.02Å; I7-F22 HydrophobicContact CG2-CZ 4.42Å |
| 8 | A | 81.5 | Confident | 81.8 | Confident | 20 Ų | 20 | 96.4 Ų | 96.4 | 17% | 0.165 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R4 E5 E6 S12 L13 V18 | R4-A8 WeakPolarHBondContact O-CB 3.41Å; R4-A8 PolarHBondContact O-N 3.01Å; R4-A8 VanDerWaalsContact O-N 3.1Å; E5-A8 WeakPolarHBondContact O-CB 3.37Å; E5-A8 PolarHBondContact O-N 3.2Å; E6-A8 VanDerWaalsContact C-N 3.26Å; E6-A8 PolarHBondContact O-N 3.06Å; A8-S12 PolarHBondContact O-N 3.43Å; A8-S12 VanDerWaalsContact O-N 3.12Å; A8-L13 WeakPolarHBondContact CA-O 3.5Å; A8-L13 WeakPolarHBondContact CB-O 3.25Å; A8-L13 PolarHBondContact O-N 3.12Å; A8-V18 HydrophobicContact CB-CG2 4.17Å |
| 9 | L | 80 | Confident | 82.2 | Confident | 146 Ų | 146 | 98.3 Ų | 98.3 | 76% | 0.764 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -48.4 | 176.1 | -66.8 | 166.2 | 0 | 0 | 0 | 111.6 | E5 E6 I7 T11 | E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 3.01Å; E5-L9 VanDerWaalsContact O-N 3.1Å; E6-L9 WeakPolarHBondContact O-CB 3.22Å; E6-L9 PolarHBondContact O-N 2.89Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 3.04Å; L9-T11 VanDerWaalsContact C-N 3.35Å; L9-T11 PolarHBondContact O-N 3.15Å |
| 10 | W | 84.3 | Confident | 82.7 | Confident | 209 Ų | 209 | 96.5 Ų | 96.5 | 79% | 0.792 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.9 | -28.8 | -178.6 | -68.9 | 96.5 | 0 | 0 | 0 | 113.5 | E6 I7 | E6-W10 PolarHBondContact O-N 3.16Å; E6-W10 VanDerWaalsContact O-N 3.12Å; I7-W10 PolarHBondContact O-N 3.14Å |
| 11 | T | 84.4 | Confident | 83.2 | Confident | 54 Ų | 54 | 97.8 Ų | 97.8 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -102.5 | 0.5 | -173.8 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | I7 L9 L13 | I7-T11 HydrophobicContact CG2-CG2 4.04Å; I7-T11 WeakPolarHBondContact O-CB 3.22Å; I7-T11 WeakPolarHBondContact O-CG2 3.44Å; I7-T11 PolarHBondContact O-N 3.04Å; I7-T11 PolarHBondContact O-OG1 3.44Å; L9-T11 VanDerWaalsContact C-N 3.35Å; L9-T11 PolarHBondContact O-N 3.15Å; T11-L13 PolarHBondContact O-N 3.12Å; T11-L13 VanDerWaalsContact O-N 3.08Å |
| 12 | S | 84.1 | Confident | 85 | Confident | 119 Ų | 119 | 91 Ų | 91 | 83% | 0.832 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 22.3 | -175 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | A8 | A8-S12 PolarHBondContact O-N 3.43Å; A8-S12 VanDerWaalsContact O-N 3.12Å |
| 13 | L | 81.6 | Confident | 85.6 | Confident | 67 Ų | 67 | 95.3 Ų | 95.3 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | | | trans | -108.5 | 137 | -179.7 | -70.3 | 173.5 | 0 | 0 | 0 | 109.7 | A8 T11 R17 V18 | A8-L13 WeakPolarHBondContact CA-O 3.5Å; A8-L13 WeakPolarHBondContact CB-O 3.25Å; A8-L13 PolarHBondContact O-N 3.12Å; T11-L13 PolarHBondContact O-N 3.12Å; T11-L13 VanDerWaalsContact O-N 3.08Å; L13-R17 HydrophobicContact CB-CB 4.09Å; L13-R17 HydrophobicContact CD2-CB 4.2Å; L13-V18 HydrophobicContact CB-CG2 3.85Å |
| 14 | T | 87.1 | Confident | 86.2 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | | | trans | -63 | 153 | 174.8 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | P16 R17 V18 | T14-P16 VanDerWaalsContact C-N 3.29Å; T14-P16 VanDerWaalsContact O-N 3.14Å; T14-R17 WeakPolarHBondContact O-CA 3.31Å; T14-R17 WeakPolarHBondContact O-CB 3.41Å; T14-R17 PolarHBondContact O-N 2.86Å; T14-R17 VanDerWaalsContact OG1-CG 3.29Å; T14-R17 WeakPolarHBondContact OG1-CG 3.1Å; T14-V18 PolarHBondContact O-N 3.21Å |
| 15 | E | 85.5 | Confident | 86.9 | Confident | 73 Ų | 73 | 97.7 Ų | 97.7 | 34% | 0.341 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -49 | -42.4 | -179.2 | -160.4 | -151.1 | 144.2 | 0 | 0 | 113.6 | R4 R17 V18 R19 | R4-E15 WeakPolarHBondContact CD-OE1 3.37Å; R4-E15 HydrophobicContact CG-CG 3.72Å; R4-E15 IonicContact CZ-OE1 3.97Å; R4-E15 IonicContact NE-OE1 3.98Å; R4-E15 IonicContact NH1-OE1 3.11Å; R4-E15 PolarHBondContact NH1-OE1 3.1Å; R4-E15 VanDerWaalsContact NH1-OE1 3.11Å; E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 2.65Å; E15-V18 PolarHBondContact O-N 3.22Å; E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.04Å; E15-R19 VanDerWaalsContact O-N 3.15Å; E15-R19 IonicContact OE1-CZ 3.32Å; E15-R19 VanDerWaalsContact OE1-CZ 3.32Å; E15-R19 IonicContact OE1-NE 3.17Å; E15-R19 PolarHBondContact OE1-NE 3.49Å; E15-R19 VanDerWaalsContact OE1-NE 3.17Å; E15-R19 IonicContact OE1-NH2 2.67Å; E15-R19 PolarHBondContact OE1-NH2 3.28Å |
| 16 | P | 87.4 | Confident | 87.8 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.7 | -36 | 175 | -22.1 | 34.8 | 0 | 0 | 0 | 113.4 | T14 R19 V20 | T14-P16 VanDerWaalsContact C-N 3.29Å; T14-P16 VanDerWaalsContact O-N 3.14Å; P16-R19 WeakPolarHBondContact O-CB 3.29Å; P16-R19 PolarHBondContact O-N 3.1Å; P16-V20 WeakPolarHBondContact O-CG2 3.3Å; P16-V20 PolarHBondContact O-N 3.49Å; P16-V20 VanDerWaalsContact O-N 3.17Å |
| 17 | R | 90.7 | Very high | 88.3 | Confident | 163 Ų | 163 | 97.4 Ų | 97.4 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.6 | -40.2 | 178.1 | -67.6 | -63.9 | -170.6 | -173.4 | 2.2 | 111.4 | L13 T14 E15 R19 V20 W21 | L13-R17 HydrophobicContact CB-CB 4.09Å; L13-R17 HydrophobicContact CD2-CB 4.2Å; T14-R17 WeakPolarHBondContact O-CA 3.31Å; T14-R17 WeakPolarHBondContact O-CB 3.41Å; T14-R17 PolarHBondContact O-N 2.86Å; T14-R17 VanDerWaalsContact OG1-CG 3.29Å; T14-R17 WeakPolarHBondContact OG1-CG 3.1Å; E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 2.65Å; R17-R19 VanDerWaalsContact C-N 3.32Å; R17-R19 PolarHBondContact O-N 3.08Å; R17-V20 PolarHBondContact O-N 2.98Å; R17-W21 VanDerWaalsContact O-CB 3.31Å; R17-W21 WeakPolarHBondContact O-CB 3.42Å; R17-W21 PolarHBondContact O-N 3.47Å |
| 18 | V | 89.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 101.5 Ų | 101.5 | 1% | 0.006 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 173.1 | 176 | 0 | 0 | 0 | 0 | 110.5 | R4 I7 A8 L13 T14 E15 V20 W21 F22 | R4-V18 HydrophobicContact CG-CG1 4.16Å; I7-V18 HydrophobicContact CB-CG1 4.34Å; I7-V18 HydrophobicContact CG2-CG1 3.85Å; I7-V18 HydrophobicContact CG2-CG2 4.43Å; A8-V18 HydrophobicContact CB-CG2 4.17Å; L13-V18 HydrophobicContact CB-CG2 3.85Å; T14-V18 PolarHBondContact O-N 3.21Å; E15-V18 PolarHBondContact O-N 3.22Å; V18-V20 PolarHBondContact O-N 3.2Å; V18-W21 PolarHBondContact O-N 3.42Å; V18-F22 HydrophobicContact CG1-CD2 3.61Å; V18-F22 HydrophobicContact CG1-CE2 3.55Å; V18-F22 VanDerWaalsContact O-CD2 3.3Å; V18-F22 WeakPolarHBondContact O-CD2 3.33Å; V18-F22 PolarHBondContact O-N 3Å |
| 19 | R | 90 | Very high | 89.1 | Confident | 132 Ų | 132 | 108.3 Ų | 108.3 | 50% | 0.498 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.8 | -49 | 176 | -66.6 | 176.5 | -169.2 | -163.4 | -2.5 | 112.2 | E15 P16 R17 K23 | E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.04Å; E15-R19 VanDerWaalsContact O-N 3.15Å; E15-R19 IonicContact OE1-CZ 3.32Å; E15-R19 VanDerWaalsContact OE1-CZ 3.32Å; E15-R19 IonicContact OE1-NE 3.17Å; E15-R19 PolarHBondContact OE1-NE 3.49Å; E15-R19 VanDerWaalsContact OE1-NE 3.17Å; E15-R19 IonicContact OE1-NH2 2.67Å; E15-R19 PolarHBondContact OE1-NH2 3.28Å; P16-R19 WeakPolarHBondContact O-CB 3.29Å; P16-R19 PolarHBondContact O-N 3.1Å; R17-R19 VanDerWaalsContact C-N 3.32Å; R17-R19 PolarHBondContact O-N 3.08Å; R19-K23 PolarHBondContact O-N 2.83Å; R19-K23 VanDerWaalsContact O-N 3.09Å |
| 20 | V | 92.1 | Very high | 89.7 | Confident | 62 Ų | 62 | 106.7 Ų | 106.7 | 38% | 0.376 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 179.8 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | P16 R17 V18 K23 N24 | P16-V20 WeakPolarHBondContact O-CG2 3.3Å; P16-V20 PolarHBondContact O-N 3.49Å; P16-V20 VanDerWaalsContact O-N 3.17Å; R17-V20 PolarHBondContact O-N 2.98Å; V18-V20 PolarHBondContact O-N 3.2Å; V20-K23 WeakPolarHBondContact O-CB 3.46Å; V20-K23 PolarHBondContact O-N 3.25Å; V20-N24 PolarHBondContact O-N 2.82Å |
| 21 | W | 93.4 | Very high | 89.8 | Confident | 123 Ų | 123 | 102.9 Ų | 102.9 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 177.8 | 178.6 | 84 | 0 | 0 | 0 | 111.7 | R17 V18 K23 N24 R25 | R17-W21 VanDerWaalsContact O-CB 3.31Å; R17-W21 WeakPolarHBondContact O-CB 3.42Å; R17-W21 PolarHBondContact O-N 3.47Å; V18-W21 PolarHBondContact O-N 3.42Å; W21-K23 VanDerWaalsContact C-N 3.31Å; W21-K23 PolarHBondContact O-N 3.43Å; W21-N24 PolarHBondContact O-N 2.83Å; W21-R25 WeakPolarHBondContact O-CB 3.35Å; W21-R25 PolarHBondContact O-N 3.38Å |
| 22 | F | 93.1 | Very high | 89.9 | Confident | 86 Ų | 86 | 106.8 Ų | 106.8 | 38% | 0.377 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 175.8 | -85.8 | -72.2 | 0 | 0 | 0 | 112.3 | I7 V18 R25 R26 | I7-F22 HydrophobicContact CD1-CE2 3.84Å; I7-F22 HydrophobicContact CD1-CZ 3.83Å; I7-F22 HydrophobicContact CG2-CE2 4.02Å; I7-F22 HydrophobicContact CG2-CZ 4.42Å; V18-F22 HydrophobicContact CG1-CD2 3.61Å; V18-F22 HydrophobicContact CG1-CE2 3.55Å; V18-F22 VanDerWaalsContact O-CD2 3.3Å; V18-F22 WeakPolarHBondContact O-CD2 3.33Å; V18-F22 PolarHBondContact O-N 3Å; F22-R25 PolarHBondContact O-N 3.42Å; F22-R26 VanDerWaalsContact O-CB 3.27Å; F22-R26 WeakPolarHBondContact O-CB 3.47Å; F22-R26 PolarHBondContact O-N 3.15Å |
| 23 | K | 93.8 | Very high | 89.7 | Confident | 140 Ų | 140 | 106.7 Ų | 106.7 | 61% | 0.609 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.7 | -49.3 | 174.9 | -171.3 | 174.4 | 68.6 | 174.8 | 0 | 111.2 | R19 V20 W21 A27 | R19-K23 PolarHBondContact O-N 2.83Å; R19-K23 VanDerWaalsContact O-N 3.09Å; V20-K23 WeakPolarHBondContact O-CB 3.46Å; V20-K23 PolarHBondContact O-N 3.25Å; W21-K23 VanDerWaalsContact C-N 3.31Å; W21-K23 PolarHBondContact O-N 3.43Å; K23-A27 WeakPolarHBondContact O-CB 3.49Å; K23-A27 PolarHBondContact O-N 3.17Å |
| 24 | N | 95.6 | Very high | 89.6 | Confident | 84 Ų | 84 | 111 Ų | 111 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 179.5 | -72.5 | -12.2 | 0 | 0 | 0 | 112.1 | V20 W21 A27 K28 | V20-N24 PolarHBondContact O-N 2.82Å; W21-N24 PolarHBondContact O-N 2.83Å; N24-A27 PolarHBondContact O-N 3.11Å; N24-K28 WeakPolarHBondContact O-CG 3.27Å; N24-K28 PolarHBondContact O-N 2.67Å |
| 25 | R | 93.9 | Very high | 88.8 | Confident | 136 Ų | 136 | 111.3 Ų | 111.3 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 177.3 | -171.8 | 64.3 | 175.9 | 161.7 | -1.7 | 111.2 | W21 F22 A27 K28 W29 | W21-R25 WeakPolarHBondContact O-CB 3.35Å; W21-R25 PolarHBondContact O-N 3.38Å; F22-R25 PolarHBondContact O-N 3.42Å; R25-A27 VanDerWaalsContact C-N 3.33Å; R25-A27 PolarHBondContact O-N 2.84Å; R25-K28 PolarHBondContact O-N 3.41Å; R25-W29 PolarHBondContact O-N 3.29Å |
| 26 | R | 91.8 | Very high | 87.8 | Confident | 161 Ų | 161 | 113.6 Ų | 113.6 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -35.6 | 175.5 | -162.6 | -175.1 | -72.7 | -171.8 | -5.6 | 111.8 | F22 W29 R30 | F22-R26 VanDerWaalsContact O-CB 3.27Å; F22-R26 WeakPolarHBondContact O-CB 3.47Å; F22-R26 PolarHBondContact O-N 3.15Å; R26-W29 PolarHBondContact O-N 3.09Å; R26-R30 WeakPolarHBondContact O-CG 3.33Å; R26-R30 PolarHBondContact O-N 3.22Å; R26-R30 VanDerWaalsContact O-N 3.16Å |
| 27 | A | 92 | Very high | 86.7 | Confident | 47 Ų | 47 | 114.9 Ų | 114.9 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | K23 N24 R25 W29 R30 K31 | K23-A27 WeakPolarHBondContact O-CB 3.49Å; K23-A27 PolarHBondContact O-N 3.17Å; N24-A27 PolarHBondContact O-N 3.11Å; R25-A27 VanDerWaalsContact C-N 3.33Å; R25-A27 PolarHBondContact O-N 2.84Å; A27-W29 VanDerWaalsContact C-N 3.32Å; A27-W29 PolarHBondContact O-N 2.96Å; A27-R30 PolarHBondContact O-N 3.28Å; A27-K31 PolarHBondContact O-N 3.17Å |
| 28 | K | 92.5 | Very high | 85.3 | Confident | 137 Ų | 137 | 109.5 Ų | 109.5 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 174.9 | -72.3 | 178.8 | -170.4 | -172.9 | 0 | 111.9 | N24 R25 K31 R32 | N24-K28 WeakPolarHBondContact O-CG 3.27Å; N24-K28 PolarHBondContact O-N 2.67Å; R25-K28 PolarHBondContact O-N 3.41Å; K28-K31 PolarHBondContact O-N 3.35Å; K28-R32 PolarHBondContact O-N 3.39Å |
| 29 | W | 89.4 | Confident | 83.8 | Confident | 164 Ų | 164 | 115 Ų | 115 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.7 | -54.3 | 175.7 | -178.2 | -89.5 | 0 | 0 | 0 | 111.4 | R25 R26 A27 K31 R32 E33 | R25-W29 PolarHBondContact O-N 3.29Å; R26-W29 PolarHBondContact O-N 3.09Å; A27-W29 VanDerWaalsContact C-N 3.32Å; A27-W29 PolarHBondContact O-N 2.96Å; W29-K31 VanDerWaalsContact C-N 3.27Å; W29-K31 PolarHBondContact O-N 2.81Å; W29-R32 PolarHBondContact O-N 2.99Å; W29-E33 PolarHBondContact O-N 3Å |
| 30 | R | 91.2 | Very high | 82.2 | Confident | 112 Ų | 112 | 114.2 Ų | 114.2 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 178.3 | -64.5 | -171.9 | -164.5 | 102.6 | -15.1 | 113 | R26 A27 R34 | R26-R30 WeakPolarHBondContact O-CG 3.33Å; R26-R30 PolarHBondContact O-N 3.22Å; R26-R30 VanDerWaalsContact O-N 3.16Å; A27-R30 PolarHBondContact O-N 3.28Å; R30-R34 WeakPolarHBondContact O-CG 3.48Å; R30-R34 PolarHBondContact O-N 2.94Å; R30-R34 PolarHBondContact O-NH1 3.43Å |
| 31 | K | 87.3 | Confident | 80.6 | Confident | 128 Ų | 128 | 121.3 Ų | 121.3 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.4 | -43.8 | 177.3 | -171.5 | 164.9 | -177.1 | 179.5 | 0 | 110.7 | A27 K28 W29 E33 R34 H35 | A27-K31 PolarHBondContact O-N 3.17Å; K28-K31 PolarHBondContact O-N 3.35Å; W29-K31 VanDerWaalsContact C-N 3.27Å; W29-K31 PolarHBondContact O-N 2.81Å; K31-E33 PolarHBondContact O-N 3.28Å; K31-R34 PolarHBondContact O-N 3.4Å; K31-H35 WeakPolarHBondContact CE-NE2 3.2Å; K31-H35 PolarHBondContact O-CD2 3.34Å; K31-H35 PolarHBondContact O-N 3.31Å; K31-H35 VanDerWaalsContact O-N 3.11Å |
| 32 | R | 86.6 | Confident | 78.9 | Confident | 136 Ų | 136 | 117.8 Ų | 117.8 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 178.8 | -170.7 | -175.4 | -64.5 | 150.6 | -6.8 | 112.4 | K28 W29 R34 H35 L36 | K28-R32 PolarHBondContact O-N 3.39Å; W29-R32 PolarHBondContact O-N 2.99Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.44Å; R32-H35 PolarHBondContact O-N 3.42Å; R32-L36 PolarHBondContact O-N 3.26Å; R32-L36 VanDerWaalsContact O-N 3.16Å |
| 33 | E | 78.4 | Confident | 77.1 | Confident | 117 Ų | 117 | 119.9 Ų | 119.9 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.5 | -39.3 | 179.1 | -168 | 172.8 | -170.6 | 0 | 0 | 112.3 | W29 K31 L36 V37 | W29-E33 PolarHBondContact O-N 3Å; K31-E33 PolarHBondContact O-N 3.28Å; E33-L36 PolarHBondContact O-N 2.9Å; E33-V37 PolarHBondContact O-N 2.88Å |
| 34 | R | 80.6 | Confident | 75.4 | Confident | 157 Ų | 157 | 121.2 Ų | 121.2 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.3 | -34.2 | 175 | -66.7 | -174.6 | -157.8 | 102.4 | -7.5 | 113.5 | R30 K31 R32 V37 A38 | R30-R34 WeakPolarHBondContact O-CG 3.48Å; R30-R34 PolarHBondContact O-N 2.94Å; R30-R34 PolarHBondContact O-NH1 3.43Å; K31-R34 PolarHBondContact O-N 3.4Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.44Å; R34-V37 PolarHBondContact O-N 3.39Å; R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.42Å; R34-A38 PolarHBondContact O-N 2.91Å |
| 35 | H | 69.5 | Low | 73.5 | Confident | 98 Ų | 98 | 119.4 Ų | 119.4 | 45% | 0.454 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70 | -34.7 | 177.3 | -79.4 | -75 | 0 | 0 | 0 | 112.1 | K31 R32 V37 A38 E39 | K31-H35 WeakPolarHBondContact CE-NE2 3.2Å; K31-H35 PolarHBondContact O-CD2 3.34Å; K31-H35 PolarHBondContact O-N 3.31Å; K31-H35 VanDerWaalsContact O-N 3.11Å; R32-H35 PolarHBondContact O-N 3.42Å; H35-V37 VanDerWaalsContact C-N 3.33Å; H35-V37 PolarHBondContact O-N 3.39Å; H35-A38 PolarHBondContact O-N 3.47Å; H35-E39 WeakPolarHBondContact O-CB 3.35Å; H35-E39 WeakPolarHBondContact O-CG 3.04Å; H35-E39 PolarHBondContact O-N 3.09Å |
| 36 | L | 65.6 | Low | 71.8 | Confident | 120 Ų | 120 | 118.4 Ų | 118.4 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.2 | -37.4 | 175.2 | -67.3 | 172.2 | 0 | 0 | 0 | 112.4 | R32 E33 V40 | R32-L36 PolarHBondContact O-N 3.26Å; R32-L36 VanDerWaalsContact O-N 3.16Å; E33-L36 PolarHBondContact O-N 2.9Å; L36-V40 WeakPolarHBondContact O-CG2 3.39Å |
| 37 | V | 63.3 | Low | 69.8 | Low | 108 Ų | 108 | 113.7 Ų | 113.7 | 66% | 0.655 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -75.4 | -34.1 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | E33 R34 H35 | E33-V37 PolarHBondContact O-N 2.88Å; R34-V37 PolarHBondContact O-N 3.39Å; H35-V37 VanDerWaalsContact C-N 3.33Å; H35-V37 PolarHBondContact O-N 3.39Å |
| 38 | A | 61.8 | Low | 67.9 | Low | 51 Ų | 51 | 119.1 Ų | 119.1 | 42% | 0.421 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.7 | -38 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R34 H35 V40 R41 S42 | R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.42Å; R34-A38 PolarHBondContact O-N 2.91Å; H35-A38 PolarHBondContact O-N 3.47Å; A38-V40 VanDerWaalsContact C-N 3.34Å; A38-V40 PolarHBondContact O-N 3.37Å; A38-R41 PolarHBondContact O-N 3.44Å; A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 3.44Å |
| 39 | E | 56.9 | Low | 65.8 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.8 | -35.2 | 179.9 | -67.4 | -101.6 | 107.7 | 0 | 0 | 111.6 | H35 R41 S42 N43 | H35-E39 WeakPolarHBondContact O-CB 3.35Å; H35-E39 WeakPolarHBondContact O-CG 3.04Å; H35-E39 PolarHBondContact O-N 3.09Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.14Å; E39-S42 PolarHBondContact O-N 3.2Å; E39-N43 WeakPolarHBondContact O-CB 3.16Å; E39-N43 PolarHBondContact O-N 3.21Å; E39-N43 VanDerWaalsContact O-N 3.11Å; E39-N43 PolarHBondContact O-ND2 3.43Å |
| 40 | V | 57.2 | Low | 63.8 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68 | -32.2 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | L36 A38 | L36-V40 WeakPolarHBondContact O-CG2 3.39Å; A38-V40 VanDerWaalsContact C-N 3.34Å; A38-V40 PolarHBondContact O-N 3.37Å |
| 41 | R | 57.8 | Low | 61.6 | Low | 210 Ų | 210 | 120 Ų | 120 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -86.2 | -28.4 | 177.6 | -157.9 | 176.5 | -177.1 | 100 | -0.2 | 113.1 | A38 E39 A45 | A38-R41 PolarHBondContact O-N 3.44Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.14Å; R41-A45 PolarHBondContact O-N 3.19Å |
| 42 | S | 58.6 | Low | 59.9 | Low | 50 Ų | 50 | 120.6 Ų | 120.6 | 35% | 0.35 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -75.2 | -39.4 | 179.9 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | A38 E39 M44 A45 V46 | A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 3.44Å; E39-S42 PolarHBondContact O-N 3.2Å; S42-M44 PolarHBondContact O-N 3.16Å; S42-A45 PolarHBondContact O-N 3.11Å; S42-V46 WeakPolarHBondContact O-CG2 3.28Å; S42-V46 PolarHBondContact O-N 3.29Å |
| 43 | N | 56 | Low | 58 | Low | 129 Ų | 129 | 117.5 Ų | 117.5 | 69% | 0.69 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -12 | 177.2 | -74 | -50.6 | 0 | 0 | 0 | 113.6 | E39 | E39-N43 WeakPolarHBondContact O-CB 3.16Å; E39-N43 PolarHBondContact O-N 3.21Å; E39-N43 VanDerWaalsContact O-N 3.11Å; E39-N43 PolarHBondContact O-ND2 3.43Å |
| 44 | M | 56.4 | Low | 56.8 | Low | 169 Ų | 169 | 120.5 Ų | 120.5 | 83% | 0.833 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -9.2 | 171.6 | -154.8 | 156.9 | -169 | 0 | 0 | 113.4 | S42 | S42-M44 PolarHBondContact O-N 3.16Š|
| 45 | A | 56.5 | Low | 55.4 | Low | 45 Ų | 45 | 119.8 Ų | 119.8 | 37% | 0.372 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.4 | -21.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R41 S42 G47 Q49 | R41-A45 PolarHBondContact O-N 3.19Å; S42-A45 PolarHBondContact O-N 3.11Å; A45-G47 PolarHBondContact O-N 2.95Å; A45-Q49 VanDerWaalsContact O-CD 3.26Å; A45-Q49 PolarHBondContact O-NE2 3.28Å |
| 46 | V | 57.4 | Low | 54.3 | Low | 115 Ų | 115 | 123.6 Ų | 123.6 | 70% | 0.697 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 55 | 173.2 | -178.6 | 0 | 0 | 0 | 0 | 110 | S42 | S42-V46 WeakPolarHBondContact O-CG2 3.28Å; S42-V46 PolarHBondContact O-N 3.29Å |
| 47 | G | 50.3 | Low | 53.6 | Low | 62 Ų | 62 | 125.7 Ų | 125.7 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | -4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | A45 | A45-G47 PolarHBondContact O-N 2.95Š|
| 48 | H | 51.9 | Low | 52.5 | Low | 161 Ų | 161 | 128.6 Ų | 128.6 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -133 | 18.5 | -168.9 | -72 | 89.7 | 0 | 0 | 0 | 115.2 | | |
| 49 | Q | 50.2 | Low | 51.8 | Low | 144 Ų | 144 | 129.4 Ų | 129.4 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -132.5 | 16.2 | -174.7 | 31.9 | -112.7 | 35 | 0 | 0 | 116.7 | A45 | A45-Q49 VanDerWaalsContact O-CD 3.26Å; A45-Q49 PolarHBondContact O-NE2 3.28Å |
| 50 | F | 45.3 | Very low | 51.2 | Low | 221 Ų | 221 | 130.6 Ų | 130.6 | 97% | 0.969 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -121.1 | 85.9 | 170.7 | -133.7 | -91.3 | 0 | 0 | 0 | 110.1 | | |
| 51 | G | 46.5 | Very low | 50.5 | Low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 116.4 | 78 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 52 | T | 52.1 | Low | 49.7 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | | | trans | -158.2 | 60.4 | 154.1 | -6.8 | 0 | 0 | 0 | 0 | 110 | | |
| 53 | G | 45.8 | Very low | 49 | Very low | 70 Ų | 70 | 124.7 Ų | 124.7 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | -83.2 | 133.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 54 | M | 53.4 | Low | 47.9 | Very low | 181 Ų | 181 | 126.3 Ų | 126.3 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | | | trans | 102.7 | 133.8 | 174.6 | -57.9 | -158.7 | 109.7 | 0 | 0 | 117.5 | | |
| 55 | T | 50.3 | Low | 47.3 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | | | trans | 97.7 | 92 | 158.3 | -148.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 56 | M | 47.4 | Very low | 46.3 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | trans | -67 | 141.6 | 156.9 | -61 | -113.5 | -81.2 | 0 | 0 | 110.1 | | |
| 57 | M | 50.4 | Low | 45.4 | Very low | 164 Ų | 164 | 131 Ų | 131 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | 153 | 115.2 | 150.4 | -94.3 | -168.5 | 172.2 | 0 | 0 | 107.9 | | |
| 58 | Q | 40 | Very low | 45.2 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | | 78.4 | 129.2 | 95.9 | -174.8 | 165.6 | -7.3 | 0 | 0 | 109.7 | | |
| 59 | A | 46.9 | Very low | 44.6 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 55% | 0.554 | 80% | 0.798 | S | S | * | * | | | cis | -167 | 147.9 | 18.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 60 | T | 45 | Very low | 44.8 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | | 49.7 | 129.8 | 128.8 | 65 | 0 | 0 | 0 | 0 | 122 | | |
| 61 | G | 42.8 | Very low | 44.7 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | 108.8 | 123 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 62 | G | 39.6 | Very low | 44.3 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | cis | 141.8 | 143 | 19.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 63 | A | 44.2 | Very low | 44.3 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | 66.3 | 110.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 64 | Q | 33.7 | Very low | 44.1 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | | 57.6 | 128.1 | 67.5 | -151.9 | -145.3 | -24.9 | 0 | 0 | 112.1 | | |
| 65 | L | 43.2 | Very low | 43.6 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | 99.1 | 120.6 | 158.5 | -55.3 | 174.2 | 0 | 0 | 0 | 117.6 | | |
| 66 | E | 36.2 | Very low | 43.6 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | 114.5 | 92.1 | 142.5 | -55.1 | -120 | 101.5 | 0 | 0 | 115.5 | | |
| 67 | A | 37.5 | Very low | 43.5 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | | | trans | -77 | 111.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 68 | A | 46.9 | Very low | 43 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -156.6 | 129.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 69 | D | 39.6 | Very low | 43.6 | Very low | 152 Ų | 152 | 123.7 Ų | 123.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | 31.7 | 106.9 | 149.8 | -87.1 | -87 | 0 | 0 | 0 | 119.4 | | |
| 70 | V | 53 | Low | 43.8 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | | -150.3 | 107.6 | 127.5 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 71 | A | 43.6 | Very low | 43.7 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | | | trans | 44.1 | 116.5 | 137.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 72 | G | 39.3 | Very low | 44 | Very low | 58 Ų | 58 | 124.2 Ų | 124.2 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | | | trans | 97.5 | 149.7 | 130.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 73 | H | 50.7 | Low | 44.6 | Very low | 171 Ų | 171 | 131 Ų | 131 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | 78.7 | 83.7 | 163 | -17.5 | -63.5 | 0 | 0 | 0 | 116 | | |
| 74 | N | 41.4 | Very low | 45 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | | 163.4 | 86.8 | 114.6 | -87.1 | -71.2 | 0 | 0 | 0 | 109.6 | | |
| 75 | L | 44.3 | Very low | 45.5 | Very low | 165 Ų | 165 | 133 Ų | 133 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -59.3 | 132.9 | 155.7 | -61.1 | 166.4 | 0 | 0 | 0 | 106.6 | | |
| 76 | Y | 50.7 | Low | 45.7 | Very low | 242 Ų | 242 | 137 Ų | 137 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | | | trans | 93.4 | 40.5 | -170.9 | -61.4 | -86 | 0 | 0 | 0 | 117.7 | | |
| 77 | A | 44.3 | Very low | 46.1 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | trans | -113.4 | 92.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | P79 | A77-P79 VanDerWaalsContact O-CD 3.29Å; A77-P79 WeakPolarHBondContact O-CD 3.48Å |
| 78 | C | 40.8 | Very low | 46.4 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | trans | -77.1 | 114.2 | 169.2 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | T80 | C78-T80 PolarHBondContact O-N 3.2Å; C78-T80 VanDerWaalsContact O-N 3.17Å; C78-T80 VanDerWaalsContact SG-CG2 3.54Å; C78-T80 PolarHBondContact SG-O 3.36Å |
| 79 | P | 51.3 | Low | 46 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -81.8 | 17.7 | 180 | 18.7 | -5.6 | 0 | 0 | 0 | 112.9 | A77 | A77-P79 VanDerWaalsContact O-CD 3.29Å; A77-P79 WeakPolarHBondContact O-CD 3.48Å |
| 80 | T | 52.2 | Low | 46.2 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | trans | -146.7 | 77 | -171.2 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | C78 | C78-T80 PolarHBondContact O-N 3.2Å; C78-T80 VanDerWaalsContact O-N 3.17Å; C78-T80 VanDerWaalsContact SG-CG2 3.54Å; C78-T80 PolarHBondContact SG-O 3.36Å |
| 81 | S | 41.8 | Very low | 45.6 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | trans | -143.3 | 99 | 164.2 | -168 | 0 | 0 | 0 | 0 | 110.7 | Y83 | S81-Y83 PolarHBondContact O-N 3.35Š|
| 82 | T | 50.6 | Low | 45.7 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 63% | 0.632 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -69 | 7.6 | -175.7 | -63.2 | 0 | 0 | 0 | 0 | 114 | S84 | T82-S84 VanDerWaalsContact C-N 3.34Å; T82-S84 PolarHBondContact O-N 3.19Å |
| 83 | Y | 51.2 | Low | 45.8 | Very low | 216 Ų | 216 | 134 Ų | 134 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -79.1 | -9.3 | -174.4 | -164.8 | -108.6 | 0 | 0 | 0 | 114.9 | S81 R85 | S81-Y83 PolarHBondContact O-N 3.35Å; Y83-R85 VanDerWaalsContact C-N 3.35Å; Y83-R85 PolarHBondContact O-N 3.16Å |
| 84 | S | 53.5 | Low | 45.2 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -86.3 | 6.5 | -178.1 | -58.1 | 0 | 0 | 0 | 0 | 115.3 | T82 W86 | T82-S84 VanDerWaalsContact C-N 3.34Å; T82-S84 PolarHBondContact O-N 3.19Å; S84-W86 PolarHBondContact O-N 3.16Å |
| 85 | R | 44.2 | Very low | 45.2 | Very low | 194 Ų | 194 | 130.3 Ų | 130.3 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | | | trans | -94 | 76.7 | 177.1 | -84.3 | -168.9 | -83.4 | -175.3 | -7.6 | 111.4 | Y83 S87 | Y83-R85 VanDerWaalsContact C-N 3.35Å; Y83-R85 PolarHBondContact O-N 3.16Å; R85-S87 PolarHBondContact O-N 3.11Å |
| 86 | W | 45.9 | Very low | 45 | Very low | 217 Ų | 217 | 125.7 Ų | 125.7 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | -81.2 | 110 | 152.1 | 50.8 | -80.4 | 0 | 0 | 0 | 107.1 | S84 N88 | S84-W86 PolarHBondContact O-N 3.16Å; W86-N88 PolarHBondContact O-N 3.2Å |
| 87 | S | 45.5 | Very low | 44.7 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -65.2 | 97.9 | -175.8 | -36.7 | 0 | 0 | 0 | 0 | 110 | R85 | R85-S87 PolarHBondContact O-N 3.11Š|
| 88 | N | 44.3 | Very low | 44.4 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | | | trans | -76.3 | 125.5 | 149.1 | -160.6 | 14.7 | 0 | 0 | 0 | 105.9 | W86 G90 | W86-N88 PolarHBondContact O-N 3.2Å; N88-G90 PolarHBondContact O-N 3.1Å |
| 89 | G | 37.9 | Very low | 45 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -47.9 | 124.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 90 | G | 43.1 | Very low | 44.8 | Very low | 60 Ų | 60 | 130.8 Ų | 130.8 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | | | trans | 167.2 | 67.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | N88 | N88-G90 PolarHBondContact O-N 3.1Š|
| 91 | T | 41.4 | Very low | 44.1 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | 22.7 | 113 | 144.4 | 133.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 92 | V | 46.4 | Very low | 44.3 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -145 | 87.4 | 139.2 | -116.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 93 | G | 39.6 | Very low | 44.2 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -88.7 | 116.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S95 | G93-S95 PolarHBondContact O-N 3.01Š|
| 94 | C | 38.4 | Very low | 44.2 | Very low | 130 Ų | 130 | 133 Ų | 133 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | trans | -76 | 86.8 | 163.7 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 95 | S | 42.7 | Very low | 44.4 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 177 | 116.9 | 160 | 45.7 | 0 | 0 | 0 | 0 | 106.8 | G93 Q97 | G93-S95 PolarHBondContact O-N 3.01Å; S95-Q97 PolarHBondContact O-N 2.82Å |
| 96 | G | 38.4 | Very low | 44.5 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -53.2 | 132.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 97 | Q | 45.2 | Very low | 44.2 | Very low | 166 Ų | 166 | 126 Ų | 126 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -167.1 | 138.5 | 136.6 | -80.9 | -42.8 | -64.1 | 0 | 0 | 107.7 | S95 V99 | S95-Q97 PolarHBondContact O-N 2.82Å; Q97-V99 PolarHBondContact O-N 3.38Å |
| 98 | P | 38.9 | Very low | 44.4 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -87.1 | 108.9 | 177.5 | 33 | -27.6 | 0 | 0 | 0 | 109.5 | | |
| 99 | V | 52.3 | Low | 44.5 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | | | trans | -122.7 | 105.9 | 171.9 | -72.3 | 0 | 0 | 0 | 0 | 111.3 | Q97 | Q97-V99 PolarHBondContact O-N 3.38Š|
| 100 | R | 47.1 | Very low | 45.2 | Very low | 241 Ų | 241 | 135 Ų | 135 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | 26.6 | 119.2 | 149 | -58.4 | -77.2 | -144.3 | -123.7 | -3.7 | 118.1 | | |
| 101 | V | 38.3 | Very low | 45.3 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | | | trans | -54 | 129.3 | 168.7 | -174.8 | 0 | 0 | 0 | 0 | 112 | | |
| 102 | C | 46.2 | Very low | 45.6 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | trans | -126.7 | 124 | 156.2 | -97 | 0 | 0 | 0 | 0 | 108.4 | | |
| 103 | E | 49 | Very low | 45.7 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -61 | 144 | -176.2 | -74.8 | 149.9 | 85.5 | 0 | 0 | 114.4 | | |
| 104 | P | 50.4 | Low | 46.2 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -97.2 | 113.6 | 164.3 | 32.5 | -22.2 | 0 | 0 | 0 | 110.6 | | |
| 105 | L | 57.1 | Low | 47.2 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | | | trans | -58.8 | 149.4 | 170.3 | -79.1 | 158 | 0 | 0 | 0 | 112.1 | | |
| 106 | P | 47.6 | Very low | 47.6 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -82 | 141.6 | -167.7 | 33.5 | -33.4 | 0 | 0 | 0 | 112.2 | | |
| 107 | G | 38.2 | Very low | 48.3 | Very low | 80 Ų | 80 | 151.8 Ų | 151.8 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | 69.8 | 90.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 108 | R | 50 | Low | 48.6 | Very low | 240 Ų | 240 | 148.7 Ų | 148.7 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | | | trans | -126.4 | 90.7 | 154.1 | -157.9 | 165.9 | 165.6 | -137.7 | -2 | 110.1 | V110 | R108-V110 PolarHBondContact O-N 2.86Š|
| 109 | N | 46.8 | Very low | 49.4 | Very low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | | | trans | -50.9 | 114.8 | 164.7 | -97.1 | -74 | 0 | 0 | 0 | 109.3 | A111 | N109-A111 PolarHBondContact O-N 3.15Š|
| 110 | V | 53.1 | Low | 50.1 | Low | 131 Ų | 131 | 146.3 Ų | 146.3 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -80.6 | 74.6 | 167 | -74.6 | 0 | 0 | 0 | 0 | 108.8 | R108 W112 | R108-V110 PolarHBondContact O-N 2.86Å; V110-W112 PolarHBondContact O-N 3.43Å |
| 111 | A | 45 | Very low | 51.4 | Low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | -70.8 | 122.6 | 167 | 0 | 0 | 0 | 0 | 0 | 108.6 | N109 G113 | N109-A111 PolarHBondContact O-N 3.15Å; A111-G113 PolarHBondContact O-N 3.47Å |
| 112 | W | 47.2 | Very low | 52.9 | Low | 243 Ų | 243 | 139.1 Ų | 139.1 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | | | trans | -70.9 | 69.1 | 169.4 | -70.7 | 88.4 | 0 | 0 | 0 | 109.5 | V110 W114 | V110-W112 PolarHBondContact O-N 3.43Å; W112-W114 PolarHBondContact O-N 3.42Å |
| 113 | G | 47.9 | Very low | 53.3 | Low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | | | trans | -74.2 | 113.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | A111 | A111-G113 PolarHBondContact O-N 3.47Š|
| 114 | W | 50.2 | Low | 53.7 | Low | 233 Ų | 233 | 140.7 Ų | 140.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -57.5 | 143.1 | 162 | -64.7 | 18.4 | 0 | 0 | 0 | 106.9 | W112 S116 | W112-W114 PolarHBondContact O-N 3.42Å; W114-S116 PolarHBondContact O-N 3.29Å |
| 115 | P | 59.2 | Low | 53.6 | Low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -62.6 | 106.6 | 174.1 | 27 | -30.9 | 0 | 0 | 0 | 106.6 | K117 | P115-K117 PolarHBondContact O-N 3.44Å; P115-K117 VanDerWaalsContact O-N 3.09Å |
| 116 | S | 51.1 | Low | 53 | Low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -51 | 121.5 | 163.3 | -69 | 0 | 0 | 0 | 0 | 105.8 | W114 A118 | W114-S116 PolarHBondContact O-N 3.29Å; S116-A118 PolarHBondContact O-N 2.8Å; S116-A118 VanDerWaalsContact O-N 3.14Å |
| 117 | K | 54.7 | Low | 53.3 | Low | 201 Ų | 201 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -23.5 | 116.5 | 173.1 | -74 | 159.6 | 166.3 | -101.8 | 0 | 110.2 | P115 A119 | P115-K117 PolarHBondContact O-N 3.44Å; P115-K117 VanDerWaalsContact O-N 3.09Å; K117-A119 PolarHBondContact O-N 2.96Å |
| 118 | A | 49.6 | Very low | 53.8 | Low | 100 Ų | 100 | 142.5 Ų | 142.5 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 116.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S116 | S116-A118 PolarHBondContact O-N 2.8Å; S116-A118 VanDerWaalsContact O-N 3.14Å |
| 119 | A | 57 | Low | 53.3 | Low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 136.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | K117 | K117-A119 PolarHBondContact O-N 2.96Š|
| 120 | P | 66.9 | Low | 53.3 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 142.8 | 174.2 | 27.5 | -31.9 | 0 | 0 | 0 | 109.4 | | |
| 121 | P | 73.6 | Confident | 53 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 147.7 | 173.6 | 26.1 | -33.2 | 0 | 0 | 0 | 110.3 | M123 | P121-M123 PolarHBondContact O-N 2.89Š|
| 122 | P | 69.8 | Low | 52.8 | Low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.1 | 173.9 | 27.3 | -32.4 | 0 | 0 | 0 | 108.8 | L124 | P122-L124 PolarHBondContact O-N 3.11Å; P122-L124 VanDerWaalsContact O-N 3.1Å |
| 123 | M | 55.6 | Low | 52.7 | Low | 169 Ų | 169 | 124.7 Ų | 124.7 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | | | trans | -55.6 | 108.9 | 168.3 | 52.7 | -146.5 | 100.8 | 0 | 0 | 109.7 | P121 S125 | P121-M123 PolarHBondContact O-N 2.89Å; M123-S125 PolarHBondContact O-N 3.5Å |
| 124 | L | 56 | Low | 52.6 | Low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -72.4 | 104 | 167.2 | -73.3 | 173 | 0 | 0 | 0 | 107.5 | P122 S126 | P122-L124 PolarHBondContact O-N 3.11Å; P122-L124 VanDerWaalsContact O-N 3.1Å; L124-S126 PolarHBondContact O-N 2.79Å; L124-S126 VanDerWaalsContact O-N 3.11Å |
| 125 | S | 49.3 | Very low | 52.5 | Low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -61.8 | 110.1 | 169.5 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | M123 I127 | M123-S125 PolarHBondContact O-N 3.5Å; S125-I127 PolarHBondContact O-N 3.47Å; S125-I127 VanDerWaalsContact O-N 3.16Å |
| 126 | S | 44.1 | Very low | 52 | Low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | -66.8 | 103.9 | 162 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | L124 | L124-S126 PolarHBondContact O-N 2.79Å; L124-S126 VanDerWaalsContact O-N 3.11Å |
| 127 | I | 54.4 | Low | 52 | Low | 163 Ų | 163 | 126 Ų | 126 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -99.8 | 110.1 | 154 | -70.1 | 178.2 | 0 | 0 | 0 | 106.7 | S125 | S125-I127 PolarHBondContact O-N 3.47Å; S125-I127 VanDerWaalsContact O-N 3.16Å |
| 128 | I | 47.4 | Very low | 51.4 | Low | 154 Ų | 154 | 123.1 Ų | 123.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -71.7 | 134.1 | 175.2 | -71.8 | 160.9 | 0 | 0 | 0 | 109 | | |
| 129 | G | 40.4 | Very low | 51.5 | Low | 70 Ų | 70 | 124.4 Ų | 124.4 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | 84 | 101.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 130 | A | 46.1 | Very low | 50.9 | Low | 104 Ų | 104 | 126.3 Ų | 126.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | | -165 | 120.6 | 124.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 131 | T | 47.1 | Very low | 50.1 | Low | 150 Ų | 150 | 126.8 Ų | 126.8 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | | | trans | -55.5 | 144.5 | 173.5 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 132 | G | 42.4 | Very low | 48.6 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | 149.3 | 99.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 133 | G | 43.2 | Very low | 47.7 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 97.4 | 99.1 | 134.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 134 | S | 47.1 | Very low | 47.1 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | | 138.7 | 95.9 | 100.9 | -144.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 135 | S | 47.2 | Very low | 46.7 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 60% | 0.601 | 80% | 0.797 | S | S | * | * | | | | 59.8 | 114.7 | 121.7 | -43.2 | 0 | 0 | 0 | 0 | 122 | | |
| 136 | R | 49.4 | Very low | 46.6 | Very low | 227 Ų | 227 | 128 Ų | 128 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | | 76.3 | 138.3 | 125.3 | -64.1 | 176.1 | -164.3 | -142.2 | 2.8 | 115.6 | | |
| 137 | I | 51.6 | Low | 46.8 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | | | cis | -171.5 | 139.2 | 32.7 | 20.8 | 167.7 | 0 | 0 | 0 | 108.6 | | |
| 138 | D | 42 | Very low | 46.2 | Very low | 142 Ų | 142 | 122 Ų | 122 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | 39.9 | 125.9 | 136.1 | -54.6 | -69.2 | 0 | 0 | 0 | 122.8 | | |
| 139 | S | 51.7 | Low | 46.3 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | | -170.3 | 107.7 | 128.9 | -76.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 140 | V | 43 | Very low | 46.5 | Very low | 127 Ų | 127 | 126 Ų | 126 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -85.3 | 141.8 | 170.4 | 72.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 141 | S | 50.7 | Low | 46.4 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -142 | 100.5 | 160.2 | -75.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 142 | T | 43.3 | Very low | 46.2 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | | | trans | -55.1 | 128.2 | 167 | -55.9 | 0 | 0 | 0 | 0 | 111 | | |
| 143 | M | 49.3 | Very low | 46.5 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | | | trans | -146.6 | 114.4 | 137.5 | -76.7 | -145.5 | 155.2 | 0 | 0 | 110.6 | | |
| 144 | T | 43.8 | Very low | 46.6 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -58.7 | 132.9 | 170.5 | 41.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 145 | N | 47.3 | Very low | 46.4 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -137.6 | 127.5 | 145.8 | -148.9 | -26 | 0 | 0 | 0 | 110.4 | | |
| 146 | S | 47 | Very low | 46.6 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -74.3 | 141.2 | -168.3 | 32.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 147 | G | 48 | Very low | 46.6 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 169.3 | 72.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 148 | G | 41.8 | Very low | 46 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | trans | -59.3 | 159.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 149 | L | 50 | Low | 46.4 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | | -145.4 | 138.9 | 65.9 | -68.6 | 168.9 | 0 | 0 | 0 | 112.6 | | |
| 150 | N | 44.3 | Very low | 46 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -79.2 | 142.7 | 175.6 | -59.9 | -76.2 | 0 | 0 | 0 | 111.6 | | |
| 151 | F | 44.1 | Very low | 46.1 | Very low | 201 Ų | 201 | 130 Ų | 130 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | -144.4 | 80.5 | 154.4 | -83.8 | -76.5 | 0 | 0 | 0 | 111.4 | | |
| 152 | L | 42.9 | Very low | 46 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | -151.2 | 160.5 | 148 | -78.7 | 175.2 | 0 | 0 | 0 | 104.6 | | |
| 153 | P | 49.2 | Very low | 46.2 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | | | cis | -135.6 | -162.9 | -6.5 | 30.7 | -6.9 | 0 | 0 | 0 | 111.8 | | |
| 154 | T | 44.4 | Very low | 46 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | | | trans | 112.3 | 115 | 147.3 | -33.3 | 0 | 0 | 0 | 0 | 117 | | |
| 155 | G | 43.8 | Very low | 46.4 | Very low | 60 Ų | 60 | 130.3 Ų | 130.3 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | | | trans | 117.1 | 123.2 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 156 | N | 51.5 | Low | 47 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | 93.5 | 92.1 | 152.5 | -52.5 | 9.5 | 0 | 0 | 0 | 115.2 | | |
| 157 | A | 48.2 | Very low | 47.3 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | | 74.2 | 113.3 | 75.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 158 | C | 39.8 | Very low | 47.5 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -52.7 | 162.6 | 169.8 | -30.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 159 | P | 49.8 | Very low | 48.7 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | | | | -153.8 | -177 | 60.3 | 28.2 | -0.9 | 0 | 0 | 0 | 115.3 | | |
| 160 | Y | 44.6 | Very low | 48.9 | Very low | 228 Ų | 228 | 135.4 Ų | 135.4 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | | | trans | 87.8 | 124.5 | 168.7 | -59.9 | -80.6 | 0 | 0 | 0 | 119.2 | | |
| 161 | G | 44.4 | Very low | 49.4 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | 121 | 83.4 | 135.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 162 | M | 48.7 | Very low | 49.9 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 96% | 0.956 | 79% | 0.792 | S | S | * | * | | | trans | -60.6 | 130.8 | 157.9 | -72.2 | -80.8 | 145.1 | 0 | 0 | 110.6 | | |
| 163 | Q | 46.8 | Very low | 50.3 | Low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -150 | 90.8 | 158.5 | -160.1 | 162 | 30.1 | 0 | 0 | 108.1 | | |
| 164 | A | 46.5 | Very low | 50.5 | Low | 99 Ų | 99 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | | 59.1 | 102.8 | 91.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 165 | G | 52.5 | Low | 51.2 | Low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 168.4 | 102.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 166 | A | 58.1 | Low | 52.2 | Low | 83 Ų | 83 | 135.9 Ų | 135.9 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | trans | 85.5 | 106.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 167 | P | 53.5 | Low | 52 | Low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -84.6 | 114.3 | 159.7 | 32 | -24.5 | 0 | 0 | 0 | 109.5 | P169 | P167-P169 WeakPolarHBondContact O-CD 3.29Š|
| 168 | Y | 53.8 | Low | 52 | Low | 209 Ų | 209 | 140.4 Ų | 140.4 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | | | trans | -79 | 119.7 | 160.9 | -80 | -86.5 | 0 | 0 | 0 | 108.3 | Q170 | Y168-Q170 PolarHBondContact O-N 3.22Å; Y168-Q170 VanDerWaalsContact O-N 3.15Å |
| 169 | P | 65.3 | Low | 52.5 | Low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -68.6 | 115.2 | 169.9 | 27.3 | -30.3 | 0 | 0 | 0 | 108.5 | P167 V171 | P167-P169 WeakPolarHBondContact O-CD 3.29Å; P169-V171 PolarHBondContact O-N 3.47Å |
| 170 | Q | 54.9 | Low | 52.3 | Low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -59.1 | 104.9 | 163.6 | -76 | -84.1 | -69.4 | 0 | 0 | 108 | Y168 M172 | Y168-Q170 PolarHBondContact O-N 3.22Å; Y168-Q170 VanDerWaalsContact O-N 3.15Å; Q170-M172 PolarHBondContact O-N 3.45Å |
| 171 | V | 55.5 | Low | 52.4 | Low | 133 Ų | 133 | 140.6 Ų | 140.6 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -74.7 | 79.9 | 170.3 | -153.1 | 0 | 0 | 0 | 0 | 107.3 | P169 L173 | P169-V171 PolarHBondContact O-N 3.47Å; V171-L173 VanDerWaalsContact C-N 3.29Å; V171-L173 PolarHBondContact O-N 3.05Å |
| 172 | M | 53.2 | Low | 52.8 | Low | 149 Ų | 149 | 142.4 Ų | 142.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -69.8 | 87.9 | 167.1 | -80.4 | -82.6 | 178.3 | 0 | 0 | 107.9 | Q170 N174 | Q170-M172 PolarHBondContact O-N 3.45Å; M172-N174 VanDerWaalsContact C-N 3.31Å; M172-N174 PolarHBondContact O-N 3.38Å |
| 173 | L | 52.7 | Low | 53.2 | Low | 152 Ų | 152 | 140.7 Ų | 140.7 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -78.3 | 88.6 | 168.5 | -162.4 | 71 | 0 | 0 | 0 | 108.4 | V171 N175 | V171-L173 VanDerWaalsContact C-N 3.29Å; V171-L173 PolarHBondContact O-N 3.05Å; L173-N175 PolarHBondContact O-N 3.05Å |
| 174 | N | 53.3 | Low | 53.8 | Low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | trans | -54.3 | 114.5 | 163.8 | -92.4 | -9.9 | 0 | 0 | 0 | 109.1 | M172 | M172-N174 VanDerWaalsContact C-N 3.31Å; M172-N174 PolarHBondContact O-N 3.38Å |
| 175 | N | 59.1 | Low | 54.2 | Low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -103.6 | 110.7 | 168.8 | -138.2 | -27.3 | 0 | 0 | 0 | 107.7 | L173 | L173-N175 PolarHBondContact O-N 3.05Š|
| 176 | P | 63.9 | Low | 54.8 | Low | 95 Ų | 95 | 140.8 Ų | 140.8 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | | | trans | -72.8 | 154.1 | 174.7 | 30.1 | -32.6 | 0 | 0 | 0 | 110.6 | R178 | P176-R178 PolarHBondContact O-N 3.42Š|
| 177 | P | 47.8 | Very low | 54.8 | Low | 124 Ų | 124 | 146.8 Ų | 146.8 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -76.6 | 91.1 | -177.7 | 32 | -31.2 | 0 | 0 | 0 | 109 | E179 | P177-E179 PolarHBondContact O-N 3.44Š|
| 178 | R | 48.1 | Very low | 54.7 | Low | 232 Ų | 232 | 149.8 Ų | 149.8 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | trans | -87.6 | 89 | 172.3 | -157.5 | -176.4 | -180 | 175.5 | 1 | 110.3 | P176 | P176-R178 PolarHBondContact O-N 3.42Š|
| 179 | E | 50.4 | Low | 54.8 | Low | 144 Ų | 144 | 149.2 Ų | 149.2 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | | | trans | 5.4 | 120.6 | 136.1 | -58.7 | -116 | 124.3 | 0 | 0 | 116.4 | P177 | P177-E179 PolarHBondContact O-N 3.44Š|
| 180 | Q | 44.4 | Very low | 54.3 | Low | 162 Ų | 162 | 153 Ų | 153 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | | | trans | 40.2 | 91.6 | 130.6 | -60.1 | 174.7 | 13.3 | 0 | 0 | 116.3 | | |
| 181 | N | 47.3 | Very low | 53.8 | Low | 149 Ų | 149 | 155.8 Ų | 155.8 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -151.2 | 118.5 | 138.2 | -93.6 | -55.9 | 0 | 0 | 0 | 109 | I183 | N181-I183 PolarHBondContact O-N 3.02Å; N181-I183 VanDerWaalsContact O-N 3.13Å |
| 182 | S | 53.9 | Low | 53.5 | Low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -51.6 | 110.7 | 174.8 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | A184 | S182-A184 PolarHBondContact O-N 2.94Š|
| 183 | I | 56.4 | Low | 53.1 | Low | 158 Ų | 158 | 153.1 Ų | 153.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -69.9 | 104.9 | 161.6 | -60.9 | 172.7 | 0 | 0 | 0 | 105.7 | N181 L185 | N181-I183 PolarHBondContact O-N 3.02Å; N181-I183 VanDerWaalsContact O-N 3.13Å; I183-L185 PolarHBondContact O-N 3.03Å |
| 184 | A | 58.1 | Low | 52.7 | Low | 89 Ų | 89 | 148.9 Ų | 148.9 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | -59.9 | 106.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | S182 | S182-A184 PolarHBondContact O-N 2.94Š|
| 185 | L | 55.5 | Low | 52.6 | Low | 155 Ų | 155 | 152.3 Ų | 152.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -60.7 | 133 | 166.2 | -83.4 | 124.7 | 0 | 0 | 0 | 108.3 | I183 K187 | I183-L185 PolarHBondContact O-N 3.03Å; L185-K187 PolarHBondContact O-N 3.04Å |
| 186 | P | 66.5 | Low | 52.2 | Low | 120 Ų | 120 | 149.7 Ų | 149.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -56.4 | 126.1 | 173.4 | 21.5 | -29.7 | 0 | 0 | 0 | 108.6 | M188 | P186-M188 PolarHBondContact O-N 3.41Š|
| 187 | K | 56.9 | Low | 51.5 | Low | 209 Ų | 209 | 150.6 Ų | 150.6 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | -48 | 115.6 | -179.5 | -83.5 | -169.9 | 165 | 129.3 | 0 | 109.7 | L185 K189 | L185-K187 PolarHBondContact O-N 3.04Å; K187-K189 PolarHBondContact O-N 3.17Å; K187-K189 VanDerWaalsContact O-N 3.16Å |
| 188 | M | 51.1 | Low | 51.5 | Low | 188 Ų | 188 | 149 Ų | 149 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | trans | -59.2 | 119.4 | 161.3 | -102.2 | -173.4 | 158.7 | 0 | 0 | 107.5 | P186 Q190 | P186-M188 PolarHBondContact O-N 3.41Å; M188-Q190 PolarHBondContact O-N 3.17Å; M188-Q190 VanDerWaalsContact O-N 3.14Å |
| 189 | K | 56.7 | Low | 51.4 | Low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -59.3 | 115 | 167.4 | -153.5 | 163.5 | -176.5 | 178.4 | 0 | 106.3 | K187 Y191 | K187-K189 PolarHBondContact O-N 3.17Å; K187-K189 VanDerWaalsContact O-N 3.16Å; K189-Y191 VanDerWaalsContact C-N 3.34Å; K189-Y191 PolarHBondContact O-N 3.35Å |
| 190 | Q | 54.5 | Low | 51.3 | Low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -54.5 | 100.2 | 168.4 | -92.6 | 171.1 | -99.6 | 0 | 0 | 107.8 | M188 G192 | M188-Q190 PolarHBondContact O-N 3.17Å; M188-Q190 VanDerWaalsContact O-N 3.14Å; Q190-G192 PolarHBondContact O-N 3.02Å |
| 191 | Y | 45.2 | Very low | 51.6 | Low | 216 Ų | 216 | 135.5 Ų | 135.5 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | | | trans | -87 | 77.7 | 155.3 | -135.9 | -84.3 | 0 | 0 | 0 | 106 | K189 | K189-Y191 VanDerWaalsContact C-N 3.34Å; K189-Y191 PolarHBondContact O-N 3.35Å |
| 192 | G | 47.5 | Very low | 51.7 | Low | 46 Ų | 46 | 132 Ų | 132 | 47% | 0.474 | 77% | 0.768 | S | S | . | * | | | trans | -71.3 | 152.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q190 | Q190-G192 PolarHBondContact O-N 3.02Š|
| 193 | Q | 44.8 | Very low | 51.5 | Low | 180 Ų | 180 | 130.5 Ų | 130.5 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 70 | 97.3 | 168.7 | -56.3 | -81.9 | 25.1 | 0 | 0 | 114.7 | | |
| 194 | G | 44.9 | Very low | 51.3 | Low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | trans | -167.9 | -23.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 195 | Y | 52 | Low | 50.9 | Low | 218 Ų | 218 | 128 Ų | 128 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -104.8 | 60.6 | -176.1 | 48.2 | -91 | 0 | 0 | 0 | 111.9 | | |
| 196 | A | 49.3 | Very low | 50.7 | Low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -151.9 | -12.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 197 | V | 50.8 | Low | 49.8 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -122.4 | -8.1 | -170.2 | -173.7 | 0 | 0 | 0 | 0 | 115 | A199 | V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.17Å |
| 198 | A | 47 | Very low | 49.5 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -12.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 199 | A | 45.4 | Very low | 49 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -13.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V197 | V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.17Å |
| 200 | A | 48.6 | Very low | 48.4 | Very low | 84 Ų | 84 | 116.7 Ų | 116.7 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -18.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 201 | A | 50.3 | Low | 47.8 | Very low | 69 Ų | 69 | 110.9 Ų | 110.9 | 57% | 0.57 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -87 | -16.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A203 | A201-A203 VanDerWaalsContact C-N 3.31Å; A201-A203 PolarHBondContact O-N 3.47Å |
| 202 | A | 50.7 | Low | 47.8 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -10.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 203 | A | 50.2 | Low | 47.8 | Very low | 82 Ų | 82 | 109.1 Ų | 109.1 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -11.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A201 | A201-A203 VanDerWaalsContact C-N 3.31Å; A201-A203 PolarHBondContact O-N 3.47Å |
| 204 | A | 51.6 | Low | 47.8 | Very low | 88 Ų | 88 | 110.8 Ų | 110.8 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -91.1 | -9.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M206 | A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.27Å |
| 205 | S | 49.7 | Very low | 48.2 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | -91.6 | 16.5 | -171.7 | -48.3 | 0 | 0 | 0 | 0 | 114.8 | L207 | S205-L207 PolarHBondContact O-N 3.23Š|
| 206 | M | 50.8 | Low | 48.1 | Very low | 156 Ų | 156 | 108.3 Ų | 108.3 | 77% | 0.768 | 75% | 0.749 | S | S | * | * | | | trans | -86.8 | 8.1 | -172.9 | -62.3 | -75.7 | 177.5 | 0 | 0 | 115 | A204 | A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.27Å |
| 207 | L | 48.7 | Very low | 47.9 | Very low | 152 Ų | 152 | 108.3 Ų | 108.3 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | -137.7 | 95 | 177.9 | -80.3 | 102.1 | 0 | 0 | 0 | 111.3 | S205 | S205-L207 PolarHBondContact O-N 3.23Š|
| 208 | T | 50.6 | Low | 47.8 | Very low | 143 Ų | 143 | 109 Ų | 109 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | | | trans | 168.4 | 114.1 | 143.1 | 41.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 209 | G | 39.1 | Very low | 47.6 | Very low | 73 Ų | 73 | 112.4 Ų | 112.4 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | | 82.8 | 90.3 | 108.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 210 | A | 45.3 | Very low | 47.2 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | | | | 65.2 | 113.6 | 95.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 211 | G | 42.2 | Very low | 47.1 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | 105.4 | 123.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 212 | N | 44.7 | Very low | 47.1 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | | | trans | 75.2 | 99.3 | 150 | -62.3 | -20.2 | 0 | 0 | 0 | 119.3 | | |
| 213 | S | 46.9 | Very low | 47 | Very low | 78 Ų | 78 | 123.4 Ų | 123.4 | 55% | 0.545 | 79% | 0.787 | S | S | . | * | | | | 55 | 139 | 110 | -46.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 214 | Y | 46.2 | Very low | 47 | Very low | 216 Ų | 216 | 124.7 Ų | 124.7 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | trans | 82.9 | 105 | 159.3 | -29 | -72.7 | 0 | 0 | 0 | 118.4 | | |
| 215 | A | 53.2 | Low | 47.1 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -151.5 | 109.9 | 139.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 216 | P | 49.6 | Very low | 47.3 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -88.8 | 171.2 | 172 | 35.2 | -31.6 | 0 | 0 | 0 | 112.9 | | |
| 217 | A | 43.9 | Very low | 47.6 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -63.7 | 145.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 218 | C | 49.2 | Very low | 47.6 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 86% | 0.858 | 80% | 0.802 | S | S | * | * | | | trans | -144.7 | 99.5 | 151.7 | -68.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 219 | Q | 42.2 | Very low | 47.2 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | | | | 33.8 | 122.2 | 95.4 | -72.8 | -172.7 | 2.3 | 0 | 0 | 115.3 | | |
| 220 | Y | 38.6 | Very low | 47.6 | Very low | 231 Ų | 231 | 137.4 Ų | 137.4 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | | | trans | 144.3 | 118.3 | 143.3 | -83.1 | -72.3 | 0 | 0 | 0 | 110.3 | | |
| 221 | G | 45.3 | Very low | 47.7 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | 158 | 65.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 222 | T | 50 | Low | 48 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | | | trans | -56.4 | 126.5 | 170.6 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 223 | S | 48.9 | Very low | 48.2 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | -165.8 | 112.9 | 140.2 | -162.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 224 | P | 50.5 | Low | 48.3 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 71% | 0.714 | 85% | 0.845 | S | S | * | * | | | trans | -80.7 | 126.7 | 170.9 | 32.9 | -27.2 | 0 | 0 | 0 | 107.7 | | |
| 225 | N | 53.4 | Low | 48.5 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 85% | 0.845 | S | S | * | * | | | trans | 175.1 | 74.2 | 153.3 | -89.9 | -44.9 | 0 | 0 | 0 | 109.2 | | |
| 226 | T | 54.8 | Low | 48.1 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 85% | 0.845 | S | S | * | * | | | trans | -144.4 | 80 | 158 | -53.1 | 0 | 0 | 0 | 0 | 106.8 | L228 | T226-L228 PolarHBondContact O-N 3.43Š|
| 227 | I | 56.5 | Low | 48 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 83% | 0.831 | 85% | 0.846 | S | S | * | * | | | trans | -70.5 | 117.7 | 160.4 | -72.1 | -170.2 | 0 | 0 | 0 | 106.4 | L229 | I227-L229 PolarHBondContact O-N 3.47Š|
| 228 | L | 49.2 | Very low | 48.3 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 85% | 0.848 | 85% | 0.852 | S | S | * | * | | | trans | -52.4 | 120.6 | 166.3 | -75.9 | 161.7 | 0 | 0 | 0 | 110.6 | T226 | T226-L228 PolarHBondContact O-N 3.43Š|
| 229 | L | 41.5 | Very low | 48.3 | Very low | 237 Ų | 237 | 152.7 Ų | 152.7 | 100% | 1.241 | 85% | 0.852 | S | S | * | * | | | trans | -153.7 | 0 | 152.4 | -106.7 | 162 | 0 | 0 | 0 | 109.3 | I227 | I227-L229 PolarHBondContact O-N 3.47Š|