| 1 | M | 57.8 | Low | 63.9 | Low | 210 Ų | 210 | 115.9 Ų | 115.9 | 100% | 1.034 | 63% | 0.63 | S | S | * | * | | | | 0 | -27.6 | 0 | -68.1 | -68.3 | 172.8 | 0 | 0 | 113.6 | | |
| 2 | A | 63.4 | Low | 64.3 | Low | 69 Ų | 69 | 112.4 Ų | 112.4 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.5 | -36.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S4 L5 L6 | A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.47Å; A2-L5 WeakPolarHBondContact O-CB 3.22Å; A2-L5 PolarHBondContact O-N 3.23Å; A2-L5 VanDerWaalsContact O-N 3.14Å; A2-L6 PolarHBondContact O-N 3.44Å; A2-L6 VanDerWaalsContact O-N 3.16Å |
| 3 | V | 58.3 | Low | 64.5 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.3 | -41.1 | -179.3 | 180 | 0 | 0 | 0 | 0 | 111.3 | L5 L6 L7 | V3-L5 PolarHBondContact O-N 3.3Å; V3-L6 WeakPolarHBondContact O-CB 3.47Å; V3-L6 PolarHBondContact O-N 3.25Å; V3-L7 HydrophobicContact CG1-CD1 4.19Å; V3-L7 HydrophobicContact CG1-CG 4.49Å; V3-L7 VanDerWaalsContact O-CG 3.3Å; V3-L7 WeakPolarHBondContact O-CG 3.02Å; V3-L7 PolarHBondContact O-N 3.49Å |
| 4 | S | 59.7 | Low | 64.8 | Low | 75 Ų | 75 | 115.5 Ų | 115.5 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.8 | -32.1 | 177.3 | -38.3 | 0 | 0 | 0 | 0 | 112.5 | A2 R8 | A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.47Å; S4-R8 VanDerWaalsContact O-CB 3.23Å; S4-R8 WeakPolarHBondContact O-CB 3.3Å; S4-R8 PolarHBondContact O-N 3.14Å |
| 5 | L | 64.6 | Low | 65 | Low | 120 Ų | 120 | 112.9 Ų | 112.9 | 63% | 0.628 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.7 | -39.3 | 176.5 | -63 | 173.9 | 0 | 0 | 0 | 111.8 | A2 V3 L7 R8 G9 | A2-L5 WeakPolarHBondContact O-CB 3.22Å; A2-L5 PolarHBondContact O-N 3.23Å; A2-L5 VanDerWaalsContact O-N 3.14Å; V3-L5 PolarHBondContact O-N 3.3Å; L5-L7 VanDerWaalsContact C-N 3.27Å; L5-L7 PolarHBondContact O-N 3.49Å; L5-R8 PolarHBondContact O-N 3.4Å; L5-G9 PolarHBondContact O-N 3.16Å |
| 6 | L | 62 | Low | 65.3 | Low | 133 Ų | 133 | 113.8 Ų | 113.8 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.6 | -37.6 | 173 | -66.4 | 172.7 | 0 | 0 | 0 | 111.6 | A2 V3 | A2-L6 PolarHBondContact O-N 3.44Å; A2-L6 VanDerWaalsContact O-N 3.16Å; V3-L6 WeakPolarHBondContact O-CB 3.47Å; V3-L6 PolarHBondContact O-N 3.25Å |
| 7 | L | 65.1 | Low | 65.5 | Low | 64 Ų | 64 | 110.4 Ų | 110.4 | 34% | 0.335 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.1 | -52.8 | 173.4 | -63.4 | 175.3 | 0 | 0 | 0 | 110.3 | V3 L5 G9 I12 L15 | V3-L7 HydrophobicContact CG1-CD1 4.19Å; V3-L7 HydrophobicContact CG1-CG 4.49Å; V3-L7 VanDerWaalsContact O-CG 3.3Å; V3-L7 WeakPolarHBondContact O-CG 3.02Å; V3-L7 PolarHBondContact O-N 3.49Å; L5-L7 VanDerWaalsContact C-N 3.27Å; L5-L7 PolarHBondContact O-N 3.49Å; L7-G9 PolarHBondContact O-N 2.81Å; L7-I12 VanDerWaalsContact C-CG1 3.46Å; L7-I12 HydrophobicContact CB-CD1 4.02Å; L7-I12 HydrophobicContact CB-CG1 3.74Å; L7-I12 HydrophobicContact CD2-CG1 4.26Å; L7-I12 WeakPolarHBondContact O-CD1 3.2Å; L7-I12 WeakPolarHBondContact O-CG1 3.48Å; L7-L15 HydrophobicContact CD2-CD2 3.32Å |
| 8 | R | 65.7 | Low | 65.6 | Low | 213 Ų | 213 | 109.2 Ų | 109.2 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.9 | -18.5 | -171.8 | -158.8 | 172.9 | -171.3 | -175.4 | 1.9 | 115 | S4 L5 G10 | S4-R8 VanDerWaalsContact O-CB 3.23Å; S4-R8 WeakPolarHBondContact O-CB 3.3Å; S4-R8 PolarHBondContact O-N 3.14Å; L5-R8 PolarHBondContact O-N 3.4Å; R8-G10 PolarHBondContact O-N 3.35Å |
| 9 | G | 71.4 | Confident | 65.6 | Low | 53 Ų | 53 | 107.9 Ų | 107.9 | 55% | 0.546 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | 29.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117 | L5 L7 R11 | L5-G9 PolarHBondContact O-N 3.16Å; L7-G9 PolarHBondContact O-N 2.81Å; G9-R11 PolarHBondContact O-N 3.48Å |
| 10 | G | 68.6 | Low | 65.6 | Low | 45 Ų | 45 | 107.6 Ų | 107.6 | 46% | 0.464 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 73.7 | -10.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R8 I12 | R8-G10 PolarHBondContact O-N 3.35Å; G10-I12 VanDerWaalsContact C-N 3.3Å; G10-I12 PolarHBondContact O-N 3.18Å |
| 11 | R | 66 | Low | 65.3 | Low | 194 Ų | 194 | 108.9 Ų | 108.9 | 73% | 0.732 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -0.1 | 176.7 | -72.5 | -179.4 | -96.9 | 173.5 | -7.7 | 114.1 | G9 R13 A14 L15 | G9-R11 PolarHBondContact O-N 3.48Å; R11-R13 PolarHBondContact O-N 3.07Å; R11-A14 PolarHBondContact O-N 3.44Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 PolarHBondContact O-N 3.45Å |
| 12 | I | 69.2 | Low | 65.5 | Low | 74 Ų | 74 | 101.6 Ų | 101.6 | 38% | 0.379 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -51.9 | -39.1 | 172.2 | -76.6 | 146.2 | 0 | 0 | 0 | 111.5 | L7 G10 L15 K16 | L7-I12 VanDerWaalsContact C-CG1 3.46Å; L7-I12 HydrophobicContact CB-CD1 4.02Å; L7-I12 HydrophobicContact CB-CG1 3.74Å; L7-I12 HydrophobicContact CD2-CG1 4.26Å; L7-I12 WeakPolarHBondContact O-CD1 3.2Å; L7-I12 WeakPolarHBondContact O-CG1 3.48Å; G10-I12 VanDerWaalsContact C-N 3.3Å; G10-I12 PolarHBondContact O-N 3.18Å; I12-L15 PolarHBondContact O-N 3.11Å; I12-K16 WeakPolarHBondContact O-CA 3.06Å; I12-K16 WeakPolarHBondContact O-CB 3.43Å; I12-K16 PolarHBondContact O-N 3.14Å |
| 13 | R | 66.9 | Low | 65.1 | Low | 203 Ų | 203 | 107.3 Ų | 107.3 | 77% | 0.766 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.7 | -43.2 | -176.1 | -65.5 | -169.1 | -63.3 | -95.1 | 0.1 | 112.3 | R11 K16 A17 | R11-R13 PolarHBondContact O-N 3.07Å; R13-K16 PolarHBondContact O-N 2.82Å; R13-A17 PolarHBondContact O-N 2.88Å; R13-A17 VanDerWaalsContact O-N 3.08Å |
| 14 | A | 69.1 | Low | 65 | Low | 65 Ų | 65 | 108.1 Ų | 108.1 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.2 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R11 K16 A17 V18 | R11-A14 PolarHBondContact O-N 3.44Å; A14-K16 VanDerWaalsContact C-N 3.28Å; A14-K16 PolarHBondContact O-N 2.87Å; A14-A17 PolarHBondContact O-N 3.19Å; A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 2.75Å |
| 15 | L | 67.3 | Low | 64.7 | Low | 76 Ų | 76 | 110.8 Ų | 110.8 | 40% | 0.398 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -34.8 | 176.9 | -177.6 | 63.2 | 0 | 0 | 0 | 112.2 | L7 R11 I12 V18 L19 | L7-L15 HydrophobicContact CD2-CD2 3.32Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 PolarHBondContact O-N 3.45Å; I12-L15 PolarHBondContact O-N 3.11Å; L15-V18 PolarHBondContact O-N 3.37Å; L15-L19 HydrophobicContact CD1-CD1 4.31Å; L15-L19 HydrophobicContact CD1-CG 4.22Å; L15-L19 HydrophobicContact CG-CD1 3.96Å; L15-L19 HydrophobicContact CG-CG 4.29Å; L15-L19 VanDerWaalsContact O-CB 3.23Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 3.25Å |
| 16 | K | 69.1 | Low | 64.3 | Low | 127 Ų | 127 | 107.9 Ų | 107.9 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.3 | -35.8 | 176.4 | -174.3 | 178.7 | 178.3 | -175.8 | 0 | 111.4 | I12 R13 A14 L20 | I12-K16 WeakPolarHBondContact O-CA 3.06Å; I12-K16 WeakPolarHBondContact O-CB 3.43Å; I12-K16 PolarHBondContact O-N 3.14Å; R13-K16 PolarHBondContact O-N 2.82Å; A14-K16 VanDerWaalsContact C-N 3.28Å; A14-K16 PolarHBondContact O-N 2.87Å; K16-L20 HydrophobicContact CG-CD1 4.01Å; K16-L20 HydrophobicContact CG-CG 4.4Å; K16-L20 WeakPolarHBondContact O-CB 3.14Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 3.49Å |
| 17 | A | 68.8 | Low | 63.9 | Low | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65 | -48.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | R13 A14 L19 L20 E21 | R13-A17 PolarHBondContact O-N 2.88Å; R13-A17 VanDerWaalsContact O-N 3.08Å; A14-A17 PolarHBondContact O-N 3.19Å; A17-L19 PolarHBondContact O-N 3.36Å; A17-L20 PolarHBondContact O-N 3.29Å; A17-E21 WeakPolarHBondContact O-CB 3.42Å; A17-E21 PolarHBondContact O-N 2.95Å |
| 18 | V | 67.1 | Low | 63.4 | Low | 89 Ų | 89 | 108.7 Ų | 108.7 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.7 | -42.3 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | A14 L15 E21 A22 | A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 2.75Å; L15-V18 PolarHBondContact O-N 3.37Å; V18-E21 PolarHBondContact O-N 2.99Å; V18-A22 WeakPolarHBondContact O-CB 2.82Å; V18-A22 PolarHBondContact O-N 2.94Å |
| 19 | L | 66.2 | Low | 62.8 | Low | 86 Ų | 86 | 104.9 Ų | 104.9 | 45% | 0.45 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.9 | -31.4 | 176.7 | -74.5 | 176.5 | 0 | 0 | 0 | 112.5 | L15 A17 R23 | L15-L19 HydrophobicContact CD1-CD1 4.31Å; L15-L19 HydrophobicContact CD1-CG 4.22Å; L15-L19 HydrophobicContact CG-CD1 3.96Å; L15-L19 HydrophobicContact CG-CG 4.29Å; L15-L19 VanDerWaalsContact O-CB 3.23Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 3.25Å; A17-L19 PolarHBondContact O-N 3.36Å; L19-R23 WeakPolarHBondContact O-CA 3.06Å; L19-R23 WeakPolarHBondContact O-CB 2.88Å; L19-R23 WeakPolarHBondContact O-CG 2.96Å; L19-R23 PolarHBondContact O-N 3.32Å |
| 20 | L | 64.9 | Low | 61.8 | Low | 100 Ų | 100 | 108.4 Ų | 108.4 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.9 | -40.3 | 173.6 | -81.4 | 168 | 0 | 0 | 0 | 110.7 | K16 A17 R23 V24 | K16-L20 HydrophobicContact CG-CD1 4.01Å; K16-L20 HydrophobicContact CG-CG 4.4Å; K16-L20 WeakPolarHBondContact O-CB 3.14Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 3.49Å; A17-L20 PolarHBondContact O-N 3.29Å; L20-R23 CarbonylContact O-C 3.23Å; L20-R23 VanDerWaalsContact O-C 3.23Å; L20-R23 WeakPolarHBondContact O-CA 3.23Å; L20-R23 PolarHBondContact O-N 2.88Å; L20-R23 VanDerWaalsContact O-N 3.11Å; L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 3.01Å |
| 21 | E | 60.6 | Low | 61 | Low | 135 Ų | 135 | 110.8 Ų | 110.8 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.2 | -46.9 | 172.4 | -168.3 | 173.7 | -174.9 | 0 | 0 | 110.9 | A17 V18 R23 V24 F25 | A17-E21 WeakPolarHBondContact O-CB 3.42Å; A17-E21 PolarHBondContact O-N 2.95Å; V18-E21 PolarHBondContact O-N 2.99Å; E21-R23 VanDerWaalsContact C-N 3.28Å; E21-R23 PolarHBondContact O-N 3.43Å; E21-V24 WeakPolarHBondContact O-CB 3.3Å; E21-V24 PolarHBondContact O-N 3.2Å; E21-V24 VanDerWaalsContact O-N 3.14Å; E21-F25 VanDerWaalsContact O-CD2 3.3Å; E21-F25 WeakPolarHBondContact O-CD2 3Å |
| 22 | A | 61.2 | Low | 60.2 | Low | 58 Ų | 58 | 107 Ų | 107 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.9 | -29 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | V18 F25 | V18-A22 WeakPolarHBondContact O-CB 2.82Å; V18-A22 PolarHBondContact O-N 2.94Å; A22-F25 PolarHBondContact O-N 3.49Å |
| 23 | R | 56.3 | Low | 59.2 | Low | 188 Ų | 188 | 109.6 Ų | 109.6 | 71% | 0.709 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 2.2 | 173.7 | -75.9 | -167 | -170.8 | -141 | 5.8 | 114.4 | L19 L20 E21 F25 P26 | L19-R23 WeakPolarHBondContact O-CA 3.06Å; L19-R23 WeakPolarHBondContact O-CB 2.88Å; L19-R23 WeakPolarHBondContact O-CG 2.96Å; L19-R23 PolarHBondContact O-N 3.32Å; L20-R23 CarbonylContact O-C 3.23Å; L20-R23 VanDerWaalsContact O-C 3.23Å; L20-R23 WeakPolarHBondContact O-CA 3.23Å; L20-R23 PolarHBondContact O-N 2.88Å; L20-R23 VanDerWaalsContact O-N 3.11Å; E21-R23 VanDerWaalsContact C-N 3.28Å; E21-R23 PolarHBondContact O-N 3.43Å; R23-F25 VanDerWaalsContact C-N 3.33Å; R23-P26 HydrophobicContact CB-CG 4.16Å; R23-P26 HydrophobicContact CG-CG 4.44Å; R23-P26 WeakPolarHBondContact O-CD 3.19Å; R23-P26 WeakPolarHBondContact O-CG 3.44Å |
| 24 | V | 55 | Low | 58.5 | Low | 117 Ų | 117 | 110.3 Ų | 110.3 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -20.6 | 158.4 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | L20 E21 | L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 3.01Å; E21-V24 WeakPolarHBondContact O-CB 3.3Å; E21-V24 PolarHBondContact O-N 3.2Å; E21-V24 VanDerWaalsContact O-N 3.14Å |
| 25 | F | 54.6 | Low | 57.3 | Low | 130 Ų | 130 | 115.3 Ų | 115.3 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -101.3 | 9.9 | 174 | -63 | -78.5 | 0 | 0 | 0 | 119.2 | E21 A22 R23 G27 E28 | E21-F25 VanDerWaalsContact O-CD2 3.3Å; E21-F25 WeakPolarHBondContact O-CD2 3Å; A22-F25 PolarHBondContact O-N 3.49Å; R23-F25 VanDerWaalsContact C-N 3.33Å; F25-G27 PolarHBondContact O-N 2.99Å; F25-E28 PolarHBondContact O-N 3.21Å |
| 26 | P | 56.3 | Low | 56.5 | Low | 59 Ų | 59 | 116.4 Ų | 116.4 | 38% | 0.383 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -6.8 | -178.6 | 36.7 | -33.2 | 0 | 0 | 0 | 110.5 | R23 E28 | R23-P26 HydrophobicContact CB-CG 4.16Å; R23-P26 HydrophobicContact CG-CG 4.44Å; R23-P26 WeakPolarHBondContact O-CD 3.19Å; R23-P26 WeakPolarHBondContact O-CG 3.44Å; P26-E28 PolarHBondContact O-N 3.26Å |
| 27 | G | 53.5 | Low | 55.4 | Low | 72 Ų | 72 | 117.4 Ų | 117.4 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -18.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F25 | F25-G27 PolarHBondContact O-N 2.99Š|
| 28 | E | 53 | Low | 54.6 | Low | 143 Ų | 143 | 123 Ų | 123 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -23.8 | -177.5 | -157.7 | 129.4 | -156.4 | 0 | 0 | 113 | F25 P26 V30 S31 | F25-E28 PolarHBondContact O-N 3.21Å; P26-E28 PolarHBondContact O-N 3.26Å; E28-V30 PolarHBondContact O-N 3.49Å; E28-S31 PolarHBondContact O-N 2.72Å |
| 29 | L | 54 | Low | 53.7 | Low | 132 Ų | 132 | 124.2 Ų | 124.2 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -4 | 179.8 | -68 | 176.4 | 0 | 0 | 0 | 114.7 | S31 | L29-S31 VanDerWaalsContact C-N 3.27Š|
| 30 | V | 50.4 | Low | 52.7 | Low | 128 Ų | 128 | 127.6 Ų | 127.6 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -10.4 | 171.1 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | E28 | E28-V30 PolarHBondContact O-N 3.49Š|
| 31 | S | 52.2 | Low | 51.6 | Low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -96.1 | -10.7 | 177.2 | -159.5 | 0 | 0 | 0 | 0 | 114.4 | E28 L29 | E28-S31 PolarHBondContact O-N 2.72Å; L29-S31 VanDerWaalsContact C-N 3.27Å |
| 32 | V | 48.1 | Very low | 51.1 | Low | 114 Ų | 114 | 131 Ų | 131 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 35.8 | -178.9 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 33 | V | 48.4 | Very low | 50.6 | Low | 129 Ų | 129 | 132.7 Ų | 132.7 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 22 | 162.2 | -173 | 0 | 0 | 0 | 0 | 110.9 | | |
| 34 | R | 52 | Low | 50 | Low | 219 Ų | 219 | 132.3 Ų | 132.3 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -134.9 | 97.8 | 157.6 | -69.1 | -166.1 | 172 | 151.6 | 1.5 | 105.9 | | |
| 35 | L | 45.3 | Very low | 49.4 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 89% | 0.885 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 162 | 110.4 | 144.7 | -81.5 | 167.4 | 0 | 0 | 0 | 108.5 | | |
| 36 | S | 50.4 | Low | 49.1 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | 66 | 85.9 | 147.9 | -48.3 | 0 | 0 | 0 | 0 | 119 | | |
| 37 | T | 45.2 | Very low | 48.8 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | | | trans | -100.7 | 70.3 | 132.6 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | S39 | T37-S39 PolarHBondContact O-N 3.45Š|
| 38 | E | 51 | Low | 48.6 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -68.6 | 107.6 | 145 | 179.1 | -177.7 | 143.3 | 0 | 0 | 105.6 | | |
| 39 | S | 48.2 | Very low | 48.3 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -138.3 | 95.5 | 164.5 | 177.4 | 0 | 0 | 0 | 0 | 107 | T37 | T37-S39 PolarHBondContact O-N 3.45Š|
| 40 | E | 45.8 | Very low | 48.2 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -49.7 | 150.4 | 172.1 | -164.4 | -174.4 | 138.6 | 0 | 0 | 112.5 | | |
| 41 | K | 42.8 | Very low | 47.9 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | 89.5 | 84.9 | 152.8 | -144.2 | 170.1 | -170.8 | 169.3 | 0 | 118.4 | | |
| 42 | S | 50 | Low | 47.9 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | | -136.7 | 95.4 | 128 | 81.7 | 0 | 0 | 0 | 0 | 110.1 | K44 | S42-K44 PolarHBondContact O-N 3.08Š|
| 43 | A | 49.5 | Very low | 48.2 | Very low | 93 Ų | 93 | 150.3 Ų | 150.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -81.7 | 109 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 44 | K | 43.6 | Very low | 48.5 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -176.8 | 131 | 136 | -120.9 | 176 | 174 | -172.7 | 0 | 112.2 | S42 | S42-K44 PolarHBondContact O-N 3.08Š|
| 45 | E | 42.3 | Very low | 48.5 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 60% | 0.603 | 77% | 0.767 | S | S | * | * | | | trans | 66.8 | 97.8 | 139.8 | -99.4 | 178.3 | 99.3 | 0 | 0 | 118.2 | | |
| 46 | K | 48.5 | Very low | 49 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 74% | 0.735 | 76% | 0.758 | S | S | * | * | | | | 174.9 | 111.2 | 89.2 | -89.4 | 143.4 | -170.8 | -178.9 | 0 | 110.2 | L48 | K46-L48 PolarHBondContact O-N 2.81Š|
| 47 | E | 50.6 | Low | 49.2 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | trans | -37.1 | 112 | 153.2 | -177.1 | -178 | -171.4 | 0 | 0 | 111.5 | | |
| 48 | L | 48.3 | Very low | 49.5 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 88% | 0.88 | 73% | 0.728 | S | S | * | * | | | trans | -133.1 | 101.3 | 155.5 | -79.9 | 174.5 | 0 | 0 | 0 | 108.1 | K46 | K46-L48 PolarHBondContact O-N 2.81Š|
| 49 | H | 46.7 | Very low | 49.6 | Very low | 158 Ų | 158 | 137 Ų | 137 | 73% | 0.731 | 72% | 0.72 | S | S | * | * | | | trans | -48.3 | 145.8 | 179.5 | -177.2 | -80.5 | 0 | 0 | 0 | 113.5 | | |
| 50 | P | 52.7 | Low | 50 | Low | 94 Ų | 94 | 139.1 Ų | 139.1 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | | | trans | -71.1 | 126.6 | -169.6 | 29.5 | -39.3 | 0 | 0 | 0 | 113.3 | | |
| 51 | K | 45.1 | Very low | 50.2 | Low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | | | trans | -153.1 | 47.2 | 167.1 | -147.4 | 158.5 | -174.2 | 169.4 | 0 | 113.7 | | |
| 52 | T | 51.5 | Low | 50.7 | Low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -152.1 | 15.8 | 170 | -26.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 53 | Q | 53.4 | Low | 50.6 | Low | 145 Ų | 145 | 142 Ų | 142 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -98.5 | -12.2 | -177 | -164.1 | 172.5 | -17.7 | 0 | 0 | 114.5 | | |
| 54 | S | 54.7 | Low | 50.7 | Low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94.3 | -14.7 | -174.4 | 63.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 55 | V | 53.5 | Low | 51.2 | Low | 99 Ų | 99 | 144.3 Ų | 144.3 | 60% | 0.6 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -90.3 | -24.3 | -174 | 178 | 0 | 0 | 0 | 0 | 113.1 | | |
| 56 | L | 54.9 | Low | 51.5 | Low | 132 Ų | 132 | 143.1 Ų | 143.1 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -93.4 | -17.5 | -176.1 | -76.6 | 166.1 | 0 | 0 | 0 | 114.7 | G58 | L56-G58 VanDerWaalsContact C-N 3.35Š|
| 57 | K | 55.5 | Low | 51.4 | Low | 150 Ų | 150 | 144.3 Ų | 144.3 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -17.9 | 175 | -69.5 | -164.5 | 178.6 | -170.9 | 0 | 113.3 | Y61 | K57-Y61 WeakPolarHBondContact O-CD1 3.2Å; K57-Y61 WeakPolarHBondContact O-CE1 3.37Å |
| 58 | G | 50.8 | Low | 51.2 | Low | 31 Ų | 31 | 139.8 Ų | 139.8 | 32% | 0.32 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | -18.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L56 | L56-G58 VanDerWaalsContact C-N 3.35Š|
| 59 | Q | 52.6 | Low | 51.6 | Low | 141 Ų | 141 | 139.4 Ų | 139.4 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -18.6 | -171.1 | -61.1 | -173.9 | 27.1 | 0 | 0 | 113.4 | | |
| 60 | L | 56.9 | Low | 51.7 | Low | 157 Ų | 157 | 143.1 Ų | 143.1 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -83.3 | -19.7 | -178.3 | -152.7 | 97 | 0 | 0 | 0 | 113.8 | | |
| 61 | Y | 51.2 | Low | 51.1 | Low | 161 Ų | 161 | 144.1 Ų | 144.1 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -95.2 | -3.1 | 179 | 70.8 | -100.2 | 0 | 0 | 0 | 114.8 | K57 | K57-Y61 WeakPolarHBondContact O-CD1 3.2Å; K57-Y61 WeakPolarHBondContact O-CE1 3.37Å |
| 62 | K | 51.5 | Low | 51.3 | Low | 160 Ų | 160 | 140.4 Ų | 140.4 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -96.3 | -10.7 | -179 | -89.9 | -170.2 | 176.4 | -175 | 0 | 115.4 | | |
| 63 | K | 49.8 | Very low | 50.8 | Low | 202 Ų | 202 | 141.6 Ų | 141.6 | 88% | 0.878 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -92.9 | -4.7 | -177.3 | -151.5 | 171 | -176.4 | -178.8 | 0 | 114.9 | | |
| 64 | S | 50.9 | Low | 50.7 | Low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115 | 21.4 | -176.8 | -167.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 65 | Y | 54.7 | Low | 50.4 | Low | 212 Ų | 212 | 141.7 Ų | 141.7 | 83% | 0.831 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -142.3 | 40.1 | -177.5 | -143.2 | -89.9 | 0 | 0 | 0 | 112.4 | | |
| 66 | C | 47.6 | Very low | 50.1 | Low | 104 Ų | 104 | 144.7 Ų | 144.7 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | | | trans | -155.4 | 30.5 | 175.3 | -93.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 67 | H | 47.4 | Very low | 49.4 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | | | trans | -135.7 | 74.6 | 157.5 | -85.1 | -67 | 0 | 0 | 0 | 104.8 | | |
| 68 | S | 45.6 | Very low | 48.6 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | | 40.8 | 113.8 | 63.3 | -70.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 69 | L | 55.8 | Low | 48.8 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | cis | -161.9 | 144.6 | 13.6 | -75.9 | 131 | 0 | 0 | 0 | 105.9 | | |
| 70 | R | 49 | Very low | 48.2 | Very low | 236 Ų | 236 | 146.4 Ų | 146.4 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | | | trans | -71.9 | 142.1 | 157.7 | -74.1 | -170.7 | -179.1 | 171.1 | 0.5 | 108.3 | | |
| 71 | P | 40.9 | Very low | 48 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | | -123.1 | 123 | 128.6 | 2.9 | 17.8 | 0 | 0 | 0 | 110.2 | | |
| 72 | T | 49.7 | Very low | 48 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | trans | -61.1 | 128 | 152.4 | -35.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 73 | D | 40.9 | Very low | 47.9 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -159.3 | 146 | 149.1 | -104 | -34.5 | 0 | 0 | 0 | 113.5 | | |
| 74 | L | 51.6 | Low | 48.1 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -61.9 | 143 | -168.1 | -77.7 | 64.5 | 0 | 0 | 0 | 115.4 | | |
| 75 | S | 47.3 | Very low | 47.8 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -154.7 | 91.3 | 138.9 | 59.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 76 | H | 47 | Very low | 47.7 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | | | | 54.8 | 116.2 | 83.3 | -128.2 | -83.9 | 0 | 0 | 0 | 114.2 | | |
| 77 | V | 40.3 | Very low | 47.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | | | trans | 69.3 | 130.3 | 160.2 | -147.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 78 | S | 39.4 | Very low | 47.8 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | | | cis | -160 | 153.6 | 33.3 | -158.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 79 | P | 54.4 | Low | 47.9 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | trans | -87.9 | 129.6 | 167.7 | 34 | -26.4 | 0 | 0 | 0 | 110.3 | | |
| 80 | D | 39.6 | Very low | 47.4 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -124.9 | 105.7 | 161.6 | -98.4 | -43.2 | 0 | 0 | 0 | 108.9 | | |
| 81 | A | 52.6 | Low | 47.3 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -77.2 | 146.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 82 | P | 52.1 | Low | 47.7 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -111.7 | 111.2 | 146.9 | 27.9 | -17 | 0 | 0 | 0 | 109 | | |
| 83 | G | 48.7 | Very low | 47.6 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | trans | -61.6 | 136 | 156 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 84 | T | 54.2 | Low | 48.1 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | | | trans | -141.3 | 111.7 | 159.8 | -59.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 85 | L | 44.2 | Very low | 47.8 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | | | trans | -58.4 | 123.2 | 164.4 | -77.3 | 158.1 | 0 | 0 | 0 | 109.4 | | |
| 86 | V | 53.9 | Low | 47.9 | Very low | 210 Ų | 210 | 131.2 Ų | 131.2 | 100% | 1.273 | 82% | 0.817 | S | S | * | * | | | trans | -147 | 0 | 139.5 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | | |