| 1 | M | 80.1 | Confident | 90.3 | Very high | 199 Ų | 199 | 120.5 Ų | 120.5 | 98% | 0.98 | 63% | 0.632 | S | S | * | * | | | | 0 | -42 | 0 | -59.2 | -169.7 | -166.8 | 0 | 0 | 113.9 | T4 L5 | M1-T4 VanDerWaalsContact C-OG1 3.25Å; M1-T4 VanDerWaalsContact CA-OG1 3.31Å; M1-T4 WeakPolarHBondContact CA-OG1 3.43Å; M1-T4 PolarHBondContact O-OG1 3.06Å; M1-L5 VanDerWaalsContact O-CG 3.27Å; M1-L5 WeakPolarHBondContact O-CG 3.43Å; M1-L5 PolarHBondContact O-N 3.43Å |
| 2 | R | 77.8 | Confident | 90.3 | Very high | 219 Ų | 219 | 119.6 Ų | 119.6 | 83% | 0.826 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.4 | -41.5 | -179 | -66.3 | -178.3 | 179.7 | 171.8 | -0.4 | 114.2 | T4 L5 L6 | R2-T4 PolarHBondContact O-N 3.32Å; R2-L5 PolarHBondContact O-N 3.43Å; R2-L6 WeakPolarHBondContact O-CG 3.48Å; R2-L6 PolarHBondContact O-N 3.29Å |
| 3 | L | 88.9 | Confident | 90.2 | Very high | 130 Ų | 130 | 115.2 Ų | 115.2 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.6 | -42.8 | 177.7 | -166.7 | 91 | 0 | 0 | 0 | 112.2 | L5 L6 L7 | L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 PolarHBondContact O-N 3.3Å; L3-L6 PolarHBondContact O-N 3.28Å; L3-L7 HydrophobicContact CD2-CD1 4.4Å; L3-L7 HydrophobicContact CG-CD1 4.41Å; L3-L7 WeakPolarHBondContact O-CG 3.31Å; L3-L7 PolarHBondContact O-N 3.31Å |
| 4 | T | 89.1 | Confident | 90 | Very high | 89 Ų | 89 | 117.1 Ų | 117.1 | 55% | 0.546 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.3 | -37.2 | 177.3 | 37.2 | 0 | 0 | 0 | 0 | 112.3 | M1 R2 L8 | M1-T4 VanDerWaalsContact C-OG1 3.25Å; M1-T4 VanDerWaalsContact CA-OG1 3.31Å; M1-T4 WeakPolarHBondContact CA-OG1 3.43Å; M1-T4 PolarHBondContact O-OG1 3.06Å; R2-T4 PolarHBondContact O-N 3.32Å; T4-L8 WeakPolarHBondContact O-CB 3.27Å; T4-L8 PolarHBondContact O-N 3.39Å |
| 5 | L | 94 | Very high | 89.7 | Confident | 117 Ų | 117 | 115.5 Ų | 115.5 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.8 | -37 | 176.3 | -68.7 | 170.4 | 0 | 0 | 0 | 112.1 | M1 R2 L3 L8 A9 | M1-L5 VanDerWaalsContact O-CG 3.27Å; M1-L5 WeakPolarHBondContact O-CG 3.43Å; M1-L5 PolarHBondContact O-N 3.43Å; R2-L5 PolarHBondContact O-N 3.43Å; L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 3.49Å; L5-A9 WeakPolarHBondContact O-CB 3.35Å; L5-A9 PolarHBondContact O-N 2.76Å |
| 6 | L | 94.9 | Very high | 88.9 | Confident | 116 Ų | 116 | 113.3 Ų | 113.3 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.2 | -44.4 | 175 | -74.9 | 168.1 | 0 | 0 | 0 | 111.7 | R2 L3 L8 A9 V10 | R2-L6 WeakPolarHBondContact O-CG 3.48Å; R2-L6 PolarHBondContact O-N 3.29Å; L3-L6 PolarHBondContact O-N 3.28Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 3.32Å; L6-A9 PolarHBondContact O-N 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.31Å; L6-V10 PolarHBondContact O-N 3.06Å |
| 7 | L | 94.2 | Very high | 88 | Confident | 105 Ų | 105 | 111.7 Ų | 111.7 | 55% | 0.55 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.8 | -41.7 | 176.7 | -72.1 | 170.1 | 0 | 0 | 0 | 111.6 | L3 A9 V10 V11 | L3-L7 HydrophobicContact CD2-CD1 4.4Å; L3-L7 HydrophobicContact CG-CD1 4.41Å; L3-L7 WeakPolarHBondContact O-CG 3.31Å; L3-L7 PolarHBondContact O-N 3.31Å; L7-A9 PolarHBondContact O-N 3Å; L7-V10 PolarHBondContact O-N 3.44Å; L7-V11 VanDerWaalsContact O-CG2 3.31Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 2.88Å |
| 8 | L | 93.9 | Very high | 87.2 | Confident | 107 Ų | 107 | 112.2 Ų | 112.2 | 56% | 0.56 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.7 | -43.5 | 176.2 | -163.1 | 88 | 0 | 0 | 0 | 111.9 | T4 L5 L6 V10 V11 L12 | T4-L8 WeakPolarHBondContact O-CB 3.27Å; T4-L8 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 3.49Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 3.32Å; L8-V10 PolarHBondContact O-N 2.97Å; L8-V11 PolarHBondContact O-N 3.17Å; L8-L12 HydrophobicContact CD2-CD1 4.3Å; L8-L12 HydrophobicContact CG-CD1 4.24Å; L8-L12 WeakPolarHBondContact O-CG 3.36Å; L8-L12 PolarHBondContact O-N 2.99Å |
| 9 | A | 93.3 | Very high | 85.4 | Confident | 55 Ų | 55 | 108.5 Ų | 108.5 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.1 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L5 L6 L7 L12 A13 | L5-A9 WeakPolarHBondContact O-CB 3.35Å; L5-A9 PolarHBondContact O-N 2.76Å; L6-A9 PolarHBondContact O-N 3.28Å; L7-A9 PolarHBondContact O-N 3Å; A9-L12 PolarHBondContact O-N 3.45Å; A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 3.44Å |
| 10 | V | 94.7 | Very high | 83.8 | Confident | 99 Ų | 99 | 108.8 Ų | 108.8 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.8 | -42.7 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L6 L7 L8 A13 Y14 | L6-V10 WeakPolarHBondContact O-CG2 3.31Å; L6-V10 PolarHBondContact O-N 3.06Å; L7-V10 PolarHBondContact O-N 3.44Å; L8-V10 PolarHBondContact O-N 2.97Å; V10-A13 PolarHBondContact O-N 3.37Å; V10-Y14 WeakPolarHBondContact O-CB 3.38Å; V10-Y14 PolarHBondContact O-N 3.48Å |
| 11 | V | 92.3 | Very high | 82.5 | Confident | 89 Ų | 89 | 109.7 Ų | 109.7 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.9 | -43.3 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | L7 L8 Y14 V15 | L7-V11 VanDerWaalsContact O-CG2 3.31Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 2.88Å; L8-V11 PolarHBondContact O-N 3.17Å; V11-Y14 PolarHBondContact O-N 3.35Å; V11-V15 WeakPolarHBondContact O-CG2 3.43Å; V11-V15 PolarHBondContact O-N 3.25Å |
| 12 | L | 90.3 | Very high | 80.8 | Confident | 110 Ų | 110 | 102.7 Ų | 102.7 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.2 | -41 | 177.6 | -73.9 | 168.5 | 0 | 0 | 0 | 112.2 | L8 A9 Y14 V15 A16 | L8-L12 HydrophobicContact CD2-CD1 4.3Å; L8-L12 HydrophobicContact CG-CD1 4.24Å; L8-L12 WeakPolarHBondContact O-CG 3.36Å; L8-L12 PolarHBondContact O-N 2.99Å; A9-L12 PolarHBondContact O-N 3.45Å; L12-Y14 VanDerWaalsContact C-N 3.33Å; L12-V15 PolarHBondContact O-N 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 3.23Å |
| 13 | A | 89.4 | Confident | 79.6 | Confident | 62 Ų | 62 | 102.7 Ų | 102.7 | 51% | 0.512 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A9 V10 A17 | A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 3.44Å; V10-A13 PolarHBondContact O-N 3.37Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.47Å |
| 14 | Y | 86.8 | Confident | 77.4 | Confident | 143 Ų | 143 | 105.1 Ų | 105.1 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.4 | -45.3 | 176.9 | -177.8 | -102.9 | 0 | 0 | 0 | 112.2 | V10 V11 L12 A16 A17 Q18 | V10-Y14 WeakPolarHBondContact O-CB 3.38Å; V10-Y14 PolarHBondContact O-N 3.48Å; V11-Y14 PolarHBondContact O-N 3.35Å; L12-Y14 VanDerWaalsContact C-N 3.33Å; Y14-A16 PolarHBondContact O-N 2.98Å; Y14-A17 PolarHBondContact O-N 3.03Å; Y14-Q18 HydrophobicContact CE1-CG 4.34Å; Y14-Q18 VanDerWaalsContact CE1-NE2 3.33Å; Y14-Q18 WeakPolarHBondContact O-CG 3.47Å; Y14-Q18 PolarHBondContact O-N 3.04Å; Y14-Q18 VanDerWaalsContact O-N 3.08Å; Y14-Q18 PolarHBondContact OH-NE2 3.48Å |
| 15 | V | 85.3 | Confident | 75.3 | Confident | 92 Ų | 92 | 104 Ų | 104 | 56% | 0.558 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.7 | -38.8 | 178.6 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | V11 L12 Q18 | V11-V15 WeakPolarHBondContact O-CG2 3.43Å; V11-V15 PolarHBondContact O-N 3.25Å; L12-V15 PolarHBondContact O-N 3.31Å; V15-Q18 PolarHBondContact O-N 3.3Å |
| 16 | A | 77.2 | Confident | 72.8 | Confident | 80 Ų | 80 | 105 Ų | 105 | 66% | 0.661 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.8 | -37 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L12 Y14 G19 | L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 3.23Å; Y14-A16 PolarHBondContact O-N 2.98Å; A16-G19 PolarHBondContact O-N 3.35Å |
| 17 | A | 74.6 | Confident | 70.5 | Confident | 87 Ų | 87 | 105 Ų | 105 | 72% | 0.719 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.7 | -27.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A13 Y14 G19 | A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.47Å; Y14-A17 PolarHBondContact O-N 3.03Å; A17-G19 PolarHBondContact O-N 3.33Å |
| 18 | Q | 72.1 | Confident | 67.8 | Low | 121 Ų | 121 | 102.6 Ų | 102.6 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.7 | -15 | 177.1 | -74.3 | -165.4 | -29.3 | 0 | 0 | 113.4 | Y14 V15 | Y14-Q18 HydrophobicContact CE1-CG 4.34Å; Y14-Q18 VanDerWaalsContact CE1-NE2 3.33Å; Y14-Q18 WeakPolarHBondContact O-CG 3.47Å; Y14-Q18 PolarHBondContact O-N 3.04Å; Y14-Q18 VanDerWaalsContact O-N 3.08Å; Y14-Q18 PolarHBondContact OH-NE2 3.48Å; V15-Q18 PolarHBondContact O-N 3.3Å |
| 19 | G | 53.9 | Low | 65.6 | Low | 41 Ų | 41 | 104.9 Ų | 104.9 | 42% | 0.423 | 65% | 0.648 | S | S | . | * | | | trans | 61.5 | 152.3 | -173 | 0 | 0 | 0 | 0 | 0 | 110.9 | A16 A17 P21 | A16-G19 PolarHBondContact O-N 3.35Å; A17-G19 PolarHBondContact O-N 3.33Å; G19-P21 WeakPolarHBondContact O-CD 3.38Å |
| 20 | S | 53.5 | Low | 63.5 | Low | 114 Ų | 114 | 108.2 Ų | 108.2 | 80% | 0.797 | 67% | 0.668 | S | S | * | * | | | trans | -56.3 | 128.8 | 165.4 | -64.3 | 0 | 0 | 0 | 0 | 107.7 | G22 | S20-G22 PolarHBondContact O-N 3.21Š|
| 21 | P | 56 | Low | 60.8 | Low | 129 Ų | 129 | 107 Ų | 107 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | | | trans | -57.3 | 101.5 | 164 | 20.8 | -27.9 | 0 | 0 | 0 | 105.6 | G19 R23 | G19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-R23 PolarHBondContact O-N 3.46Å |
| 22 | G | 45.7 | Very low | 58.7 | Low | 52 Ų | 52 | 110.8 Ų | 110.8 | 54% | 0.536 | 69% | 0.693 | S | S | . | * | | | trans | -50.3 | 136.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | S20 Q24 | S20-G22 PolarHBondContact O-N 3.21Å; G22-Q24 PolarHBondContact O-N 3.02Å |
| 23 | R | 51.4 | Low | 56.5 | Low | 218 Ų | 218 | 108.8 Ų | 108.8 | 82% | 0.823 | 70% | 0.699 | S | S | * | * | | | trans | -53.7 | 84.5 | 170.2 | -169 | -178.9 | -157.6 | -89.9 | 2.2 | 108.1 | P21 | P21-R23 PolarHBondContact O-N 3.46Š|
| 24 | Q | 43.6 | Very low | 54.8 | Low | 181 Ų | 181 | 112.6 Ų | 112.6 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | | | trans | -64.4 | 135.1 | 175.3 | -75.8 | 177.3 | 7.2 | 0 | 0 | 107.3 | G22 I26 | G22-Q24 PolarHBondContact O-N 3.02Å; Q24-I26 PolarHBondContact O-N 2.99Å |
| 25 | G | 43.4 | Very low | 52.9 | Low | 67 Ų | 67 | 115.3 Ų | 115.3 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | | | trans | -47.5 | 128 | -159.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S27 | G25-S27 VanDerWaalsContact C-N 3.3Å; G25-S27 PolarHBondContact O-N 3.49Å |
| 26 | I | 41.4 | Very low | 50.8 | Low | 136 Ų | 136 | 115 Ų | 115 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | | | trans | -82.1 | 93.6 | 142.6 | -63.6 | 169.7 | 0 | 0 | 0 | 104 | Q24 G28 | Q24-I26 PolarHBondContact O-N 2.99Å; I26-G28 PolarHBondContact O-N 3.28Å |
| 27 | S | 47.8 | Very low | 48.9 | Very low | 116 Ų | 116 | 114.3 Ų | 114.3 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | trans | -66.5 | 79.6 | 159.3 | -31.3 | 0 | 0 | 0 | 0 | 106.3 | G25 | G25-S27 VanDerWaalsContact C-N 3.3Å; G25-S27 PolarHBondContact O-N 3.49Å |
| 28 | G | 37.1 | Very low | 47.4 | Very low | 56 Ų | 56 | 115.6 Ų | 115.6 | 58% | 0.577 | 75% | 0.745 | S | S | * | * | | | trans | -94.9 | 86.9 | 169 | 0 | 0 | 0 | 0 | 0 | 107.2 | I26 S30 | I26-G28 PolarHBondContact O-N 3.28Å; G28-S30 VanDerWaalsContact C-N 3.33Å; G28-S30 PolarHBondContact O-N 3.4Å |
| 29 | D | 48.8 | Very low | 46.2 | Very low | 155 Ų | 155 | 117 Ų | 117 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | trans | -61.5 | 97.3 | 162.7 | -70.6 | -35.6 | 0 | 0 | 0 | 107.8 | | |
| 30 | S | 47.6 | Very low | 45.8 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | 179.3 | 106.5 | 159.2 | -77.7 | 0 | 0 | 0 | 0 | 108.8 | G28 | G28-S30 VanDerWaalsContact C-N 3.33Å; G28-S30 PolarHBondContact O-N 3.4Å |
| 31 | G | 38.8 | Very low | 45 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 154.7 | 84.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 32 | D | 48 | Very low | 44.6 | Very low | 168 Ų | 168 | 118.5 Ų | 118.5 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | trans | -55.3 | 131.9 | 177.4 | -58 | -61.3 | 0 | 0 | 0 | 114.1 | | |
| 33 | G | 43.2 | Very low | 44.1 | Very low | 68 Ų | 68 | 119.1 Ų | 119.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | 63.9 | 114.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 34 | L | 54.5 | Low | 44 | Very low | 141 Ų | 141 | 117.6 Ų | 117.6 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | | -173.7 | 114.3 | 123.9 | -125.3 | 60.8 | 0 | 0 | 0 | 110.8 | | |
| 35 | F | 47.6 | Very low | 43.6 | Very low | 201 Ų | 201 | 112 Ų | 112 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | 70.8 | 122.5 | 170.6 | -39 | -72.3 | 0 | 0 | 0 | 116.1 | | |
| 36 | G | 39.6 | Very low | 43.5 | Very low | 84 Ų | 84 | 114.7 Ų | 114.7 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | cis | 163.1 | 149.2 | 5.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 37 | G | 37.4 | Very low | 43.6 | Very low | 67 Ų | 67 | 114.1 Ų | 114.1 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 104.6 | 92.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 38 | S | 43.9 | Very low | 43.1 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | | 61.2 | 127.2 | 94.9 | -44.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 39 | D | 46.2 | Very low | 42.9 | Very low | 150 Ų | 150 | 112.9 Ų | 112.9 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | cis | -173.3 | 140.6 | 9.4 | 33.2 | -57.4 | 0 | 0 | 0 | 105.7 | | |
| 40 | A | 45.4 | Very low | 42.2 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -74 | 131.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 41 | G | 38.1 | Very low | 41.5 | Very low | 70 Ų | 70 | 115.9 Ų | 115.9 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | 177.7 | 92.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | G43 | G41-G43 PolarHBondContact O-N 3.01Š|
| 42 | S | 46.6 | Very low | 41.2 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | trans | -26.6 | 122.6 | 151.1 | 163.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 43 | G | 35.3 | Very low | 40.6 | Very low | 65 Ų | 65 | 112.8 Ų | 112.8 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | | | trans | -166.4 | 89.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | G41 G45 | G41-G43 PolarHBondContact O-N 3.01Å; G43-G45 PolarHBondContact O-N 3.16Å |
| 44 | I | 49.3 | Very low | 40.2 | Very low | 185 Ų | 185 | 116.9 Ų | 116.9 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | | | trans | -51.7 | 116.6 | 151.8 | -139.3 | 159.7 | 0 | 0 | 0 | 106.3 | | |
| 45 | G | 34.9 | Very low | 39.4 | Very low | 65 Ų | 65 | 114.6 Ų | 114.6 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | | | trans | -171.5 | 82.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G43 S47 | G43-G45 PolarHBondContact O-N 3.16Å; G45-S47 PolarHBondContact O-N 2.91Å |
| 46 | S | 42.1 | Very low | 38.8 | Very low | 123 Ų | 123 | 110.5 Ų | 110.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -40.1 | 119.6 | 163.8 | 40.6 | 0 | 0 | 0 | 0 | 113.4 | G48 | S46-G48 PolarHBondContact O-N 3.46Š|
| 47 | S | 44 | Very low | 38.7 | Very low | 123 Ų | 123 | 111.6 Ų | 111.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -79.1 | 97.6 | 162.9 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | G45 G49 | G45-S47 PolarHBondContact O-N 2.91Å; S47-G49 PolarHBondContact O-N 3.06Å |
| 48 | G | 36 | Very low | 38.4 | Very low | 70 Ų | 70 | 112.4 Ų | 112.4 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | | | trans | -70.6 | 119.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S46 | S46-G48 PolarHBondContact O-N 3.46Š|
| 49 | G | 34.4 | Very low | 38 | Very low | 77 Ų | 77 | 112 Ų | 112 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | | | trans | -120.1 | 117.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | S47 | S47-G49 PolarHBondContact O-N 3.06Š|
| 50 | W | 34.4 | Very low | 37.4 | Very low | 259 Ų | 259 | 110.3 Ų | 110.3 | 98% | 0.981 | 82% | 0.821 | S | S | * | * | | | trans | -78.4 | 133.1 | -173.3 | -66.6 | 63 | 0 | 0 | 0 | 111.3 | | |
| 51 | G | 32.3 | Very low | 36.9 | Very low | 82 Ų | 82 | 110 Ų | 110 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | | | trans | 155.5 | 106.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 52 | G | 31.6 | Very low | 36.6 | Very low | 76 Ų | 76 | 110.5 Ų | 110.5 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | 116.1 | 90.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 53 | S | 34.8 | Very low | 35.8 | Very low | 103 Ų | 103 | 107.5 Ų | 107.5 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | -48.4 | 144.7 | 158.4 | 41.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 54 | D | 34.9 | Very low | 35.8 | Very low | 154 Ų | 154 | 111.9 Ų | 111.9 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | | | | -178.7 | 133.2 | 119 | -74.2 | -20 | 0 | 0 | 0 | 112.2 | | |
| 55 | A | 38.1 | Very low | 35 | Very low | 92 Ų | 92 | 106.6 Ų | 106.6 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | | | trans | 63.2 | 93.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 56 | S | 35.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 107.7 Ų | 107.7 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | | | | 74.8 | 105.9 | 75.4 | 73.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 57 | A | 36.3 | Very low | 34.4 | Very low | 107 Ų | 107 | 105.5 Ų | 105.5 | 88% | 0.884 | 83% | 0.828 | S | S | * | * | | | trans | -173.9 | 74.3 | 133.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 58 | G | 32.3 | Very low | 34.2 | Very low | 84 Ų | 84 | 112.1 Ų | 112.1 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | | | trans | -95.5 | 121.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 59 | A | 35 | Very low | 34.1 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 88% | 0.876 | 84% | 0.841 | S | S | * | * | | | trans | -127.1 | 113.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 60 | S | 35 | Very low | 34 | Very low | 114 Ų | 114 | 113 Ų | 113 | 80% | 0.797 | 84% | 0.844 | S | S | * | * | | | trans | -74.7 | 151.9 | 179 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 61 | A | 34.2 | Very low | 34.1 | Very low | 105 Ų | 105 | 104.4 Ų | 104.4 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | | | trans | 31.4 | 113.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 62 | G | 32.5 | Very low | 34.3 | Very low | 79 Ų | 79 | 113 Ų | 113 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | | | trans | -154.8 | 112.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 63 | G | 29.4 | Very low | 34.3 | Very low | 74 Ų | 74 | 113.4 Ų | 113.4 | 76% | 0.763 | 85% | 0.846 | S | S | * | * | | | trans | -72.2 | 165.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 64 | T | 35.7 | Very low | 34.2 | Very low | 156 Ų | 156 | 112.4 Ų | 112.4 | 96% | 0.957 | 85% | 0.852 | S | S | * | * | | | trans | 145.2 | 122.9 | 137 | -48.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 65 | G | 31.7 | Very low | 34.4 | Very low | 75 Ų | 75 | 111.1 Ų | 111.1 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | | | trans | 125.2 | 103.2 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 66 | G | 33 | Very low | 34.1 | Very low | 87 Ų | 87 | 110.6 Ų | 110.6 | 90% | 0.897 | 86% | 0.859 | S | S | * | * | | | trans | 78.1 | 138.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 67 | G | 31 | Very low | 33.9 | Very low | 78 Ų | 78 | 109.3 Ų | 109.3 | 80% | 0.804 | 86% | 0.864 | S | S | * | * | | | cis | 150.1 | 136.6 | 18.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 68 | R | 39.1 | Very low | 33.7 | Very low | 262 Ų | 262 | 107.7 Ų | 107.7 | 99% | 0.989 | 86% | 0.857 | S | S | * | * | | | trans | -69.6 | 153.6 | -169.2 | -64 | 164.9 | 173.9 | 179.3 | -3.7 | 114.5 | | |
| 69 | G | 35.1 | Very low | 33.7 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 86% | 0.856 | 86% | 0.864 | S | S | * | * | | | trans | 161.7 | 134.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 70 | G | 32.6 | Very low | 33.6 | Very low | 83 Ų | 83 | 115.1 Ų | 115.1 | 86% | 0.856 | 86% | 0.862 | S | S | * | * | | | cis | 144.5 | 129.8 | 7.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 71 | G | 35.3 | Very low | 33.4 | Very low | 78 Ų | 78 | 113.9 Ų | 113.9 | 80% | 0.804 | 87% | 0.867 | S | S | * | * | | | trans | 95.5 | 113.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 72 | R | 37.3 | Very low | 33.3 | Very low | 261 Ų | 261 | 112.7 Ų | 112.7 | 99% | 0.985 | 87% | 0.866 | S | S | * | * | | | cis | 60.1 | 119.9 | 46.9 | -74.5 | -169.6 | -179.4 | -158.4 | 1 | 115.6 | | |
| 73 | G | 31.4 | Very low | 33.2 | Very low | 85 Ų | 85 | 115 Ų | 115 | 88% | 0.876 | 87% | 0.869 | S | S | * | * | | | trans | 119 | 127.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 74 | G | 32.9 | Very low | 33.2 | Very low | 82 Ų | 82 | 115.1 Ų | 115.1 | 85% | 0.845 | 87% | 0.871 | S | S | * | * | | | cis | -168.3 | 163.6 | 11.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 75 | S | 39.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 111.8 Ų | 111.8 | 90% | 0.895 | 87% | 0.867 | S | S | * | * | | | trans | -86.8 | 148.1 | 176.2 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 76 | G | 31.9 | Very low | 32.8 | Very low | 81 Ų | 81 | 111.9 Ų | 111.9 | 84% | 0.835 | 87% | 0.868 | S | S | * | * | | | trans | 172.2 | 125.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 77 | G | 30.1 | Very low | 32.8 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 90% | 0.897 | 87% | 0.872 | S | S | * | * | | | cis | 117.4 | 113.9 | 19.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 78 | G | 32.1 | Very low | 32.6 | Very low | 73 Ų | 73 | 120.4 Ų | 120.4 | 75% | 0.753 | 88% | 0.875 | S | S | * | * | | | trans | 137.3 | 99.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 79 | R | 33.4 | Very low | 32.1 | Very low | 264 Ų | 264 | 111.6 Ų | 111.6 | 100% | 0.996 | 87% | 0.866 | S | S | * | * | | | | 62 | 121.6 | 67.3 | -68 | -170.2 | -179.6 | -168.3 | 1.1 | 114.8 | | |
| 80 | G | 33.3 | Very low | 32.3 | Very low | 82 Ų | 82 | 113.9 Ų | 113.9 | 85% | 0.845 | 87% | 0.868 | S | S | * | * | | | trans | 130.9 | 108.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 81 | G | 30.7 | Very low | 32 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 91% | 0.907 | 87% | 0.868 | S | S | * | * | | | cis | 97.1 | 105.7 | 34.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 82 | G | 31.7 | Very low | 31.7 | Very low | 81 Ų | 81 | 113.9 Ų | 113.9 | 84% | 0.835 | 87% | 0.869 | S | S | * | * | | | trans | 167.4 | 98.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 83 | S | 31.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 106.9 Ų | 106.9 | 89% | 0.888 | 87% | 0.867 | S | S | * | * | | | trans | -57.6 | 153.7 | 166 | 45.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 84 | G | 29.4 | Very low | 31.5 | Very low | 77 Ų | 77 | 106.3 Ų | 106.3 | 79% | 0.794 | 86% | 0.861 | S | S | * | * | | | trans | 122.8 | 109.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 85 | G | 29.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 107.6 Ų | 107.6 | 89% | 0.887 | 86% | 0.863 | S | S | * | * | | | | 60 | 121.8 | 123.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 86 | G | 29.5 | Very low | 31 | Very low | 76 Ų | 76 | 105.3 Ų | 105.3 | 78% | 0.784 | 86% | 0.86 | S | S | * | * | | | | 93.1 | 105.9 | 121.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 87 | R | 32.8 | Very low | 31 | Very low | 262 Ų | 262 | 105.1 Ų | 105.1 | 99% | 0.989 | 86% | 0.858 | S | S | * | * | | | trans | 52.9 | 119.9 | 140.1 | -64.8 | -178.1 | 179 | -162.6 | -1.1 | 119.6 | | |
| 88 | G | 27.1 | Very low | 31 | Very low | 83 Ų | 83 | 107.1 Ų | 107.1 | 86% | 0.856 | 86% | 0.858 | S | S | * | * | | | trans | 123.7 | 127.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 89 | G | 27.8 | Very low | 30.8 | Very low | 77 Ų | 77 | 107 Ų | 107 | 79% | 0.794 | 86% | 0.856 | S | S | * | * | | | trans | 132.3 | 94.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 90 | S | 39.1 | Very low | 30.7 | Very low | 130 Ų | 130 | 100.5 Ų | 100.5 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | | | trans | -52 | 137 | 158.8 | 48 | 0 | 0 | 0 | 0 | 112.1 | | |
| 91 | G | 27.1 | Very low | 30.5 | Very low | 83 Ų | 83 | 100.5 Ų | 100.5 | 86% | 0.856 | 85% | 0.852 | S | S | * | * | | | trans | 136.9 | 132.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 92 | G | 28.6 | Very low | 30.5 | Very low | 79 Ų | 79 | 102.3 Ų | 102.3 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | | | trans | 117.5 | 95.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 93 | A | 34.4 | Very low | 30.4 | Very low | 114 Ų | 114 | 102.6 Ų | 102.6 | 94% | 0.942 | 85% | 0.853 | S | S | * | * | | | trans | -58.4 | 136.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 94 | G | 29.4 | Very low | 30.2 | Very low | 73 Ų | 73 | 100.2 Ų | 100.2 | 75% | 0.753 | 85% | 0.849 | S | S | * | * | | | trans | -173.5 | 90.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 95 | A | 32.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 109.4 Ų | 109.4 | 89% | 0.893 | 86% | 0.86 | S | S | * | * | | | trans | 32 | 89.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 96 | G | 29.8 | Very low | 30.3 | Very low | 80 Ų | 80 | 109.3 Ų | 109.3 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | | | trans | -80.1 | 115.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 97 | G | 31.5 | Very low | 30.3 | Very low | 78 Ų | 78 | 109.2 Ų | 109.2 | 80% | 0.804 | 86% | 0.858 | S | S | * | * | | | trans | -70.7 | 125.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110 | G99 | G97-G99 PolarHBondContact O-N 3.45Š|
| 98 | S | 29.5 | Very low | 30.8 | Very low | 128 Ų | 128 | 105.8 Ų | 105.8 | 90% | 0.895 | 85% | 0.853 | S | S | * | * | | | trans | -86.5 | 88.9 | 177.5 | 36.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 99 | G | 28.6 | Very low | 31 | Very low | 70 Ų | 70 | 109.7 Ų | 109.7 | 72% | 0.722 | 86% | 0.855 | S | S | * | * | | | trans | -84.3 | 138.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G97 | G97-G99 PolarHBondContact O-N 3.45Š|
| 100 | S | 30.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 110.1 Ų | 110.1 | 90% | 0.902 | 86% | 0.859 | S | S | * | * | | | trans | -39.9 | 139.5 | 173.5 | 50.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 101 | G | 29.4 | Very low | 30.6 | Very low | 81 Ų | 81 | 107.1 Ų | 107.1 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | | | trans | 175.9 | 108.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 102 | S | 30.7 | Very low | 31.2 | Very low | 126 Ų | 126 | 109.6 Ų | 109.6 | 88% | 0.881 | 85% | 0.852 | S | S | * | * | | | trans | -70.9 | 144 | 176.1 | 45.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 103 | G | 29.6 | Very low | 31.4 | Very low | 87 Ų | 87 | 111 Ų | 111 | 90% | 0.897 | 85% | 0.85 | S | S | * | * | | | trans | 95.4 | 108.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 104 | G | 27.4 | Very low | 31.3 | Very low | 77 Ų | 77 | 110.4 Ų | 110.4 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | | | trans | -173.7 | 103.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 105 | W | 29.7 | Very low | 31.3 | Very low | 270 Ų | 270 | 110.8 Ų | 110.8 | 100% | 1.023 | 85% | 0.849 | S | S | * | * | | | trans | -80.5 | 130 | 168 | -68.5 | 80.6 | 0 | 0 | 0 | 109 | | |
| 106 | G | 31.9 | Very low | 31.1 | Very low | 85 Ų | 85 | 109.1 Ų | 109.1 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | | | trans | 133.5 | 82.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 107 | G | 27.9 | Very low | 31.1 | Very low | 74 Ų | 74 | 117.7 Ų | 117.7 | 76% | 0.763 | 85% | 0.85 | S | S | * | * | | | trans | -160.7 | 93.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | D109 | G107-D109 PolarHBondContact O-N 3.02Š|
| 108 | Q | 43.6 | Very low | 31.2 | Very low | 189 Ų | 189 | 118 Ų | 118 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | | | trans | -66.8 | 113.6 | 164.2 | -75.7 | 156.8 | -14.3 | 0 | 0 | 106.5 | | |
| 109 | D | 31.4 | Very low | 31.1 | Very low | 166 Ų | 166 | 115.5 Ų | 115.5 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | | | trans | -170.5 | 119.8 | 150.8 | -87.1 | -31.2 | 0 | 0 | 0 | 110 | G107 | G107-D109 PolarHBondContact O-N 3.02Š|
| 110 | G | 30 | Very low | 31.8 | Very low | 86 Ų | 86 | 118.2 Ų | 118.2 | 89% | 0.887 | 86% | 0.855 | S | S | * | * | | | trans | 42.9 | 114.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 111 | G | 29.4 | Very low | 31.7 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 85% | 0.854 | S | S | * | * | | | trans | 151.9 | 106.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S113 | G111-S113 PolarHBondContact O-N 3.29Š|
| 112 | S | 40.1 | Very low | 32 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 94% | 0.944 | 86% | 0.856 | S | S | * | * | | | trans | -39.4 | 114.5 | 175.4 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 113 | S | 31.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 76% | 0.762 | 85% | 0.851 | S | S | * | * | | | trans | -153.5 | 126.4 | 163.9 | 47.1 | 0 | 0 | 0 | 0 | 113 | G111 | G111-S113 PolarHBondContact O-N 3.29Š|
| 114 | A | 31.6 | Very low | 32.5 | Very low | 101 Ų | 101 | 120 Ų | 120 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | | | trans | 58 | 109.7 | 148 | 0 | 0 | 0 | 0 | 0 | 118.6 | G116 | A114-G116 PolarHBondContact O-N 3.49Š|
| 115 | G | 30.7 | Very low | 32.7 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 85% | 0.845 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 118.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 116 | G | 28.2 | Very low | 32.9 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 156.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A114 | A114-G116 PolarHBondContact O-N 3.49Š|
| 117 | W | 29.6 | Very low | 32.8 | Very low | 260 Ų | 260 | 116.2 Ų | 116.2 | 99% | 0.985 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -75.3 | 132.4 | -178.6 | -67.9 | 61.2 | 0 | 0 | 0 | 110.9 | | |
| 118 | G | 33.6 | Very low | 33.1 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 89% | 0.887 | 85% | 0.849 | S | S | * | * | | | trans | 67.8 | 88.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 119 | G | 28.1 | Very low | 32.6 | Very low | 74 Ų | 74 | 115.5 Ų | 115.5 | 76% | 0.763 | 84% | 0.843 | S | S | * | * | | | trans | -154.5 | 100.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q121 | G119-Q121 PolarHBondContact O-N 3.48Š|
| 120 | S | 41.8 | Very low | 32.6 | Very low | 127 Ų | 127 | 111.5 Ų | 111.5 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | | | trans | -69.3 | 103.5 | 170.7 | 40.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 121 | Q | 30.3 | Very low | 32.7 | Very low | 187 Ų | 187 | 110.9 Ų | 110.9 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | | | trans | -150.2 | 123.5 | 166.8 | -152.2 | 161.6 | -8.1 | 0 | 0 | 111 | G119 G123 | G119-Q121 PolarHBondContact O-N 3.48Å; Q121-G123 PolarHBondContact O-N 3.08Å |
| 122 | G | 35.2 | Very low | 32.8 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 89% | 0.887 | 85% | 0.85 | S | S | * | * | | | trans | -61.3 | 130.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 123 | G | 28.5 | Very low | 32.7 | Very low | 74 Ų | 74 | 117.8 Ų | 117.8 | 76% | 0.763 | 85% | 0.847 | S | S | * | * | | | trans | -164.8 | 103.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q121 Q125 | Q121-G123 PolarHBondContact O-N 3.08Å; G123-Q125 PolarHBondContact O-N 2.9Å |
| 124 | S | 41.7 | Very low | 32.7 | Very low | 114 Ų | 114 | 115.6 Ų | 115.6 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | | | trans | -69.4 | 110.6 | 170.5 | 47.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 125 | Q | 30.8 | Very low | 32.8 | Very low | 193 Ų | 193 | 117.2 Ų | 117.2 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | | | trans | 169 | 121.6 | 143.5 | -93.5 | 157.2 | 6.9 | 0 | 0 | 111.7 | G123 | G123-Q125 PolarHBondContact O-N 2.9Š|
| 126 | G | 35.2 | Very low | 33 | Very low | 89 Ų | 89 | 117.6 Ų | 117.6 | 92% | 0.918 | 84% | 0.837 | S | S | * | * | | | trans | 59.5 | 101.3 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 127 | G | 29.7 | Very low | 33.3 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 85% | 0.847 | S | S | * | * | | | trans | 154.7 | 96.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S129 | G127-S129 PolarHBondContact O-N 3.4Å; G127-S129 VanDerWaalsContact O-N 3.12Å |
| 128 | S | 33.9 | Very low | 33.5 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | | | trans | -73 | 100.5 | 175.5 | -54 | 0 | 0 | 0 | 0 | 110.6 | | |
| 129 | S | 32.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | | | trans | -128.1 | 102.5 | 159.3 | 55.2 | 0 | 0 | 0 | 0 | 108.2 | G127 G131 | G127-S129 PolarHBondContact O-N 3.4Å; G127-S129 VanDerWaalsContact O-N 3.12Å; S129-G131 PolarHBondContact O-N 3.46Å |
| 130 | G | 31.8 | Very low | 33.5 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | | | trans | -60.6 | 105.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 131 | G | 32.1 | Very low | 33.3 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | | | trans | -82.8 | 145.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S129 | S129-G131 PolarHBondContact O-N 3.46Š|
| 132 | W | 31 | Very low | 33.8 | Very low | 259 Ų | 259 | 118.9 Ų | 118.9 | 98% | 0.981 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -77.3 | 128.9 | 177.9 | -67.7 | 69.8 | 0 | 0 | 0 | 110.2 | | |
| 133 | G | 39.4 | Very low | 33.7 | Very low | 86 Ų | 86 | 118.4 Ų | 118.4 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | | | trans | 72.9 | 83.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 134 | G | 30.8 | Very low | 34.1 | Very low | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 83% | 0.833 | S | S | * | * | | | trans | -146.6 | 116.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S136 | G134-S136 PolarHBondContact O-N 2.92Å; G134-S136 VanDerWaalsContact O-N 3.12Å |
| 135 | S | 34.2 | Very low | 33.7 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | | | trans | -72.7 | 98.2 | 170.9 | -59.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 136 | S | 33.7 | Very low | 33.9 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 63% | 0.629 | 82% | 0.824 | S | S | * | * | | | trans | -113.5 | 119.8 | 173.3 | -53.4 | 0 | 0 | 0 | 0 | 109.5 | G134 S138 | G134-S136 PolarHBondContact O-N 2.92Å; G134-S136 VanDerWaalsContact O-N 3.12Å; S136-S138 PolarHBondContact O-N 3.43Å |
| 137 | R | 35.7 | Very low | 33.8 | Very low | 254 Ų | 254 | 125 Ų | 125 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | | | trans | -67.5 | 116.1 | 157 | -88.9 | -179.2 | 175.8 | 179.3 | -1.6 | 106.6 | | |
| 138 | S | 33.9 | Very low | 34.3 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 71% | 0.706 | 84% | 0.836 | S | S | * | * | | | trans | -130.5 | 108.2 | 169.8 | -60 | 0 | 0 | 0 | 0 | 108.3 | S136 | S136-S138 PolarHBondContact O-N 3.43Š|
| 139 | D | 33.5 | Very low | 34.4 | Very low | 155 Ų | 155 | 122.2 Ų | 122.2 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | | | trans | -67.3 | 140.2 | 163.2 | -62 | -46.1 | 0 | 0 | 0 | 108.1 | | |
| 140 | S | 28.6 | Very low | 34.6 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 77.9 | 105.6 | 173.5 | 73.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 141 | G | 36.9 | Very low | 35 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | S | Bend | | 69.9 | 111.3 | 122 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 142 | S | 40.5 | Very low | 35.3 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | | | trans | 78.8 | 93.5 | 164.3 | 74.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 143 | G | 34 | Very low | 35.4 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -167.6 | 122.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 144 | Q | 35.6 | Very low | 35.5 | Very low | 201 Ų | 201 | 127 Ų | 127 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 137 | -177.7 | -67.4 | 143.4 | -26.1 | 0 | 0 | 110.8 | G146 | Q144-G146 PolarHBondContact O-N 3.34Š|
| 145 | G | 33.7 | Very low | 35.7 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 126.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 146 | G | 35.2 | Very low | 36 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 146.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q144 | Q144-G146 PolarHBondContact O-N 3.34Š|
| 147 | W | 34.1 | Very low | 36.1 | Very low | 260 Ų | 260 | 131.2 Ų | 131.2 | 99% | 0.985 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -79.5 | 126.9 | 179.9 | -65.4 | 71.8 | 0 | 0 | 0 | 110.3 | | |
| 148 | G | 40.2 | Very low | 36 | Very low | 89 Ų | 89 | 123 Ų | 123 | 92% | 0.918 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 100.7 | 31.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 149 | G | 35.3 | Very low | 36 | Very low | 60 Ų | 60 | 121.8 Ų | 121.8 | 62% | 0.619 | 83% | 0.83 | S | S | * | * | | | trans | -114.3 | 128.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q151 | G149-Q151 PolarHBondContact O-N 3.12Å; G149-Q151 VanDerWaalsContact O-N 3.1Å |
| 150 | Q | 37.4 | Very low | 36 | Very low | 210 Ų | 210 | 125 Ų | 125 | 98% | 0.981 | 83% | 0.831 | S | S | * | * | | | trans | -68.5 | 102.2 | 168.6 | -69 | 170.4 | -1.1 | 0 | 0 | 108.7 | | |
| 151 | Q | 38.5 | Very low | 36.5 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | | | trans | -106.3 | 105.8 | 174.8 | -88.3 | 169.6 | -6.3 | 0 | 0 | 110.2 | G149 G153 | G149-Q151 PolarHBondContact O-N 3.12Å; G149-Q151 VanDerWaalsContact O-N 3.1Å; Q151-G153 PolarHBondContact O-N 3.18Å |
| 152 | G | 39.9 | Very low | 36.3 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 97% | 0.969 | 84% | 0.838 | S | S | * | * | | | trans | -73.2 | 94 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 153 | G | 33 | Very low | 36.2 | Very low | 55 Ų | 55 | 123.3 Ų | 123.3 | 57% | 0.567 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -163.4 | 131.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q151 S155 | Q151-G153 PolarHBondContact O-N 3.18Å; G153-S155 VanDerWaalsContact C-N 3.34Å; G153-S155 PolarHBondContact O-N 3.1Å |
| 154 | N | 41.7 | Very low | 36.2 | Very low | 175 Ų | 175 | 129 Ų | 129 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | | | trans | -71.3 | 87.5 | -179.2 | -148.7 | 28 | 0 | 0 | 0 | 108.7 | | |
| 155 | S | 35 | Very low | 36.2 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 72% | 0.72 | 84% | 0.836 | S | S | * | * | | | trans | -149.8 | 114.6 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | G153 A157 | G153-S155 VanDerWaalsContact C-N 3.34Å; G153-S155 PolarHBondContact O-N 3.1Å; S155-A157 PolarHBondContact O-N 2.72Å |
| 156 | N | 40.3 | Very low | 36.2 | Very low | 181 Ų | 181 | 123.2 Ų | 123.2 | 97% | 0.968 | 84% | 0.835 | S | S | * | * | | | trans | -65.7 | 90.6 | 177.5 | -72.7 | -26.6 | 0 | 0 | 0 | 111 | | |
| 157 | A | 35.7 | Very low | 36.4 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 84% | 0.844 | S | S | * | * | | | trans | -147.4 | 110.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S155 G159 | S155-A157 PolarHBondContact O-N 2.72Å; A157-G159 PolarHBondContact O-N 3.33Å; A157-G159 VanDerWaalsContact O-N 3.16Å |
| 158 | G | 34.1 | Very low | 36.5 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | | | trans | -66 | 109.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 159 | G | 33.8 | Very low | 36.1 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | | | trans | -90.5 | 139.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A157 | A157-G159 PolarHBondContact O-N 3.33Å; A157-G159 VanDerWaalsContact O-N 3.16Å |
| 160 | W | 32 | Very low | 35.8 | Very low | 222 Ų | 222 | 126.1 Ų | 126.1 | 84% | 0.841 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -83.1 | 130.4 | 176.2 | -69.6 | 65.4 | 0 | 0 | 0 | 110 | | |
| 161 | G | 39.8 | Very low | 35.5 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 88% | 0.876 | 84% | 0.841 | S | S | * | * | | | trans | 85.5 | 83.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 162 | G | 33 | Very low | 35.3 | Very low | 79 Ų | 79 | 115.3 Ų | 115.3 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | | | trans | -159.8 | 100.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q164 | G162-Q164 PolarHBondContact O-N 3.04Š|
| 163 | S | 37.6 | Very low | 35 | Very low | 124 Ų | 124 | 122 Ų | 122 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | | | trans | -73.4 | 112.9 | 167 | 38 | 0 | 0 | 0 | 0 | 109 | | |
| 164 | Q | 34.5 | Very low | 34.9 | Very low | 196 Ų | 196 | 123.3 Ų | 123.3 | 92% | 0.916 | 85% | 0.853 | S | S | * | * | | | | 154.7 | 131.2 | 127.6 | -171.1 | 167 | 1 | 0 | 0 | 113.3 | G162 | G162-Q164 PolarHBondContact O-N 3.04Š|
| 165 | G | 36.1 | Very low | 34.4 | Very low | 82 Ų | 82 | 117.6 Ų | 117.6 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | | | trans | 81.9 | 62.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 166 | G | 32.8 | Very low | 34.4 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | | | trans | -143.8 | 122.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 167 | Q | 40 | Very low | 34 | Very low | 200 Ų | 200 | 114.4 Ų | 114.4 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -69 | 132.6 | 173.6 | -69.5 | 154.5 | -9.7 | 0 | 0 | 109 | | |
| 168 | N | 35.8 | Very low | 33.7 | Very low | 177 Ų | 177 | 113.5 Ų | 113.5 | 95% | 0.947 | 84% | 0.84 | S | S | * | * | S | Bend | trans | 66 | 111.5 | 176.6 | -94.3 | -10.6 | 0 | 0 | 0 | 117.7 | | |
| 169 | G | 31.1 | Very low | 34 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | | | trans | 162.5 | 111.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 170 | G | 30.2 | Very low | 34.2 | Very low | 83 Ų | 83 | 119.8 Ų | 119.8 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | | | trans | -77.9 | 158.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 171 | G | 31.1 | Very low | 34.2 | Very low | 78 Ų | 78 | 112.6 Ų | 112.6 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | | | trans | 63.5 | 78.6 | 140 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 172 | G | 33.2 | Very low | 33.9 | Very low | 85 Ų | 85 | 121 Ų | 121 | 88% | 0.876 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 121.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 173 | R | 34.3 | Very low | 33.9 | Very low | 234 Ų | 234 | 120.7 Ų | 120.7 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 129.7 | 174.5 | -73.3 | -179.9 | 176 | -166.4 | -1.8 | 110.7 | | |
| 174 | G | 31 | Very low | 33.6 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 175 | G | 31.6 | Very low | 33.8 | Very low | 55 Ų | 55 | 114.3 Ų | 114.3 | 57% | 0.567 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 137 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 176 | S | 33.8 | Very low | 33.8 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -68.8 | 125.3 | -173.4 | 47.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 177 | G | 32.1 | Very low | 33.8 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | | | trans | 145.7 | 70.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 178 | G | 30.8 | Very low | 33.2 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | | | trans | 158.1 | 122.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 179 | Q | 39.3 | Very low | 33 | Very low | 206 Ų | 206 | 113.3 Ų | 113.3 | 96% | 0.963 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -61.3 | 134.3 | 173.3 | -66.4 | 148.5 | -49.5 | 0 | 0 | 110.1 | | |
| 180 | G | 37.4 | Very low | 33.3 | Very low | 83 Ų | 83 | 115 Ų | 115 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | | | trans | 118.4 | 93.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 181 | G | 32.8 | Very low | 33.4 | Very low | 72 Ų | 72 | 120.4 Ų | 120.4 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | trans | -169.7 | 93.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G183 | G181-G183 PolarHBondContact O-N 3.12Š|
| 182 | W | 33.5 | Very low | 33.4 | Very low | 261 Ų | 261 | 120.8 Ų | 120.8 | 99% | 0.989 | 84% | 0.837 | S | S | * | * | | | trans | -58.3 | 130.4 | 175.4 | -67.7 | 75.1 | 0 | 0 | 0 | 109.2 | G184 | W182-G184 PolarHBondContact O-N 3.36Š|
| 183 | G | 33.4 | Very low | 33.1 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | | | trans | -54.4 | 129.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G181 S185 | G181-G183 PolarHBondContact O-N 3.12Å; G183-S185 PolarHBondContact O-N 2.67Å |
| 184 | G | 31 | Very low | 32.9 | Very low | 76 Ų | 76 | 121.8 Ų | 121.8 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | | | trans | -65.5 | 100.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | W182 Q186 | W182-G184 PolarHBondContact O-N 3.36Å; G184-Q186 PolarHBondContact O-N 3.21Å |
| 185 | S | 38.2 | Very low | 32.9 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | | | trans | -68.4 | 110.5 | 148.8 | -71.4 | 0 | 0 | 0 | 0 | 106.8 | G183 | G183-S185 PolarHBondContact O-N 2.67Š|
| 186 | Q | 35.4 | Very low | 32.7 | Very low | 187 Ų | 187 | 122.2 Ų | 122.2 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | | | trans | -118.2 | 91.1 | 162.5 | -79.7 | 176.9 | -10.2 | 0 | 0 | 107.4 | G184 G188 | G184-Q186 PolarHBondContact O-N 3.21Å; Q186-G188 PolarHBondContact O-N 3.27Å |
| 187 | D | 33 | Very low | 32.5 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 89% | 0.893 | 84% | 0.84 | S | S | * | * | | | trans | -58.5 | 124 | 155.9 | -66.8 | -44.6 | 0 | 0 | 0 | 108.4 | | |
| 188 | G | 28.4 | Very low | 32.4 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | | | trans | -167.2 | 46.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q186 | Q186-G188 PolarHBondContact O-N 3.27Š|
| 189 | G | 31.2 | Very low | 32.5 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -164.6 | 99 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q191 | G189-Q191 PolarHBondContact O-N 3.35Š|
| 190 | S | 36.6 | Very low | 32 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | | | trans | -57.6 | 116.8 | -178.4 | -26.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 191 | Q | 32.8 | Very low | 31.7 | Very low | 195 Ų | 195 | 122.7 Ų | 122.7 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | | | trans | 165.5 | 111.7 | 135.4 | -90.9 | 166.6 | -9.2 | 0 | 0 | 112.2 | G189 | G189-Q191 PolarHBondContact O-N 3.35Š|
| 192 | G | 31.2 | Very low | 31.7 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | | | trans | 103.6 | 116.9 | 150 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 193 | G | 28.2 | Very low | 31.7 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | | | trans | 142.2 | 117.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 194 | W | 30.2 | Very low | 31.8 | Very low | 265 Ų | 265 | 120.4 Ų | 120.4 | 100% | 1.004 | 84% | 0.841 | S | S | * | * | | | trans | -76.6 | 135.7 | -170.4 | -65.6 | 69.8 | 0 | 0 | 0 | 114.3 | | |
| 195 | G | 30.2 | Very low | 31.9 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | | | trans | 46.5 | 123.9 | 135.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 196 | G | 27.3 | Very low | 31.8 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 85% | 0.847 | S | S | * | * | | | | 135 | 115.7 | 129.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 197 | Q | 30.1 | Very low | 31.7 | Very low | 183 Ų | 183 | 122.7 Ų | 122.7 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | | | | 79 | 116.9 | 127.2 | -61.2 | 153.1 | 12.9 | 0 | 0 | 120.3 | | |
| 198 | N | 29.9 | Very low | 31.5 | Very low | 161 Ų | 161 | 118.5 Ų | 118.5 | 86% | 0.861 | 84% | 0.843 | S | S | * | * | | | trans | 57.2 | 128.8 | 144.2 | -58.6 | -15.6 | 0 | 0 | 0 | 118 | | |
| 199 | G | 32.5 | Very low | 31.5 | Very low | 82 Ų | 82 | 118.4 Ų | 118.4 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | | | | 98.1 | 117.5 | 50.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 200 | G | 28.8 | Very low | 31.7 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 90% | 0.897 | 85% | 0.851 | S | S | * | * | | | trans | 117 | 135.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 201 | G | 30.9 | Very low | 31.5 | Very low | 74 Ų | 74 | 117.5 Ų | 117.5 | 76% | 0.763 | 85% | 0.851 | S | S | * | * | | | cis | 145.1 | 105.5 | 20 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 202 | Q | 32.7 | Very low | 31.8 | Very low | 196 Ų | 196 | 120.7 Ų | 120.7 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | | | trans | 20.9 | 135.2 | 157.1 | -66.6 | 167.8 | -15.9 | 0 | 0 | 120.9 | | |
| 203 | G | 33.4 | Very low | 31.9 | Very low | 74 Ų | 74 | 120.5 Ų | 120.5 | 76% | 0.763 | 85% | 0.853 | S | S | * | * | | | | 64.8 | 111.3 | 111.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | N205 | G203-N205 PolarHBondContact O-N 3.47Š|
| 204 | G | 35 | Very low | 32.2 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 90% | 0.897 | 85% | 0.849 | S | S | * | * | | | trans | -56.7 | 131.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 205 | N | 33.4 | Very low | 32.4 | Very low | 155 Ų | 155 | 115.8 Ų | 115.8 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | | | trans | -142.8 | 144.7 | 151.2 | -155.4 | 7.5 | 0 | 0 | 0 | 109.8 | G203 | G203-N205 PolarHBondContact O-N 3.47Š|
| 206 | Q | 37.6 | Very low | 32.6 | Very low | 184 Ų | 184 | 121.2 Ų | 121.2 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | | | trans | -69.4 | 139.1 | -178.9 | -65.3 | 157.6 | 0.8 | 0 | 0 | 110.1 | | |
| 207 | G | 32.5 | Very low | 33 | Very low | 84 Ų | 84 | 121.7 Ų | 121.7 | 87% | 0.866 | 85% | 0.854 | S | S | * | * | | | trans | 89.6 | 114.1 | 162 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 208 | G | 29.6 | Very low | 33.1 | Very low | 79 Ų | 79 | 116.4 Ų | 116.4 | 81% | 0.814 | 85% | 0.848 | S | S | * | * | | | trans | 138.6 | 103.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 209 | G | 28.4 | Very low | 33.6 | Very low | 81 Ų | 81 | 118.1 Ų | 118.1 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | | | trans | 63.1 | 105.5 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 210 | G | 33.9 | Very low | 33.5 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 93% | 0.928 | 86% | 0.855 | S | S | * | * | | | | 65.6 | 102.4 | 126 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 211 | G | 32.4 | Very low | 33.7 | Very low | 81 Ų | 81 | 123.7 Ų | 123.7 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | | | trans | -163.4 | 88.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 212 | R | 39.8 | Very low | 33.6 | Very low | 262 Ų | 262 | 124 Ų | 124 | 99% | 0.989 | 86% | 0.857 | S | S | * | * | | | trans | -79.2 | 134.4 | 168 | -69.9 | 178.8 | 179.4 | -174.7 | -0.6 | 108.6 | | |
| 213 | G | 32.9 | Very low | 33.6 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 87% | 0.866 | 86% | 0.861 | S | S | * | * | | | trans | 139.5 | 119.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 214 | G | 33.7 | Very low | 33.4 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 87% | 0.866 | S | S | * | * | | | cis | -158.1 | 140.5 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q216 | G214-Q216 PolarHBondContact O-N 3.45Š|
| 215 | N | 36.4 | Very low | 33.3 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 92% | 0.92 | 86% | 0.863 | S | S | * | * | | | trans | -74.9 | 107.1 | 167.1 | -73.6 | -18.9 | 0 | 0 | 0 | 107.6 | G217 | N215-G217 VanDerWaalsContact C-N 3.34Å; N215-G217 PolarHBondContact O-N 3.4Å |
| 216 | Q | 33.6 | Very low | 33.1 | Very low | 198 Ų | 198 | 129.4 Ų | 129.4 | 93% | 0.925 | 87% | 0.867 | S | S | * | * | | | trans | -93.1 | 78.8 | 161.3 | -73.9 | 176.9 | -3.7 | 0 | 0 | 107.5 | G214 | G214-Q216 PolarHBondContact O-N 3.45Š|
| 217 | G | 35.7 | Very low | 32.7 | Very low | 74 Ų | 74 | 124.6 Ų | 124.6 | 76% | 0.763 | 87% | 0.868 | S | S | * | * | | | trans | -78.9 | 112.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | N215 | N215-G217 VanDerWaalsContact C-N 3.34Å; N215-G217 PolarHBondContact O-N 3.4Å |
| 218 | G | 32.1 | Very low | 32.8 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 73% | 0.732 | 87% | 0.865 | S | S | * | * | | | trans | -79.1 | 120 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 219 | E | 39.4 | Very low | 33.2 | Very low | 198 Ų | 198 | 126.3 Ų | 126.3 | 93% | 0.925 | 87% | 0.866 | S | S | * | * | | | trans | -163.2 | 139.6 | 158.8 | -107 | 160.9 | -145.3 | 0 | 0 | 108.7 | | |
| 220 | Q | 32 | Very low | 33.4 | Very low | 200 Ų | 200 | 131.8 Ų | 131.8 | 94% | 0.935 | 87% | 0.87 | S | S | * | * | | | trans | -90.2 | 143.7 | -165.5 | -62.3 | 159.7 | 10.5 | 0 | 0 | 110.6 | | |
| 221 | G | 31.4 | Very low | 33.2 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 88% | 0.876 | 87% | 0.866 | S | S | * | * | | | trans | 104.6 | 136 | 148 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 222 | G | 29.3 | Very low | 33.3 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 83% | 0.825 | 86% | 0.864 | S | S | * | * | | | trans | 127.1 | 106.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 223 | W | 32.8 | Very low | 33.3 | Very low | 264 Ų | 264 | 124.4 Ų | 124.4 | 100% | 1 | 86% | 0.857 | S | S | * | * | | | trans | -73.7 | 138.9 | 167.6 | -71.1 | 73.5 | 0 | 0 | 0 | 111.1 | | |
| 224 | G | 30.2 | Very low | 33.4 | Very low | 84 Ų | 84 | 130 Ų | 130 | 87% | 0.866 | 86% | 0.86 | S | S | * | * | | | trans | 114.1 | 124.4 | 156 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 225 | G | 32.3 | Very low | 33.3 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 84% | 0.835 | 87% | 0.866 | S | S | * | * | | | trans | 156.9 | 105 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 226 | Q | 29.6 | Very low | 33.2 | Very low | 197 Ų | 197 | 126 Ų | 126 | 92% | 0.921 | 86% | 0.86 | S | S | * | * | | | trans | -63.6 | 150.3 | -177.8 | -72.7 | 147.7 | -41.4 | 0 | 0 | 115 | | |
| 227 | G | 29.6 | Very low | 33.5 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 87% | 0.866 | 85% | 0.852 | S | S | * | * | | | | 82.4 | 110.6 | 123.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 228 | G | 33.7 | Very low | 33.6 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 81% | 0.814 | 86% | 0.86 | S | S | * | * | | | trans | -179.3 | 42.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q230 | G228-Q230 PolarHBondContact O-N 3.23Š|
| 229 | S | 37.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 87% | 0.865 | S | S | * | * | | | trans | -71.8 | 115 | 166.3 | 50 | 0 | 0 | 0 | 0 | 109.6 | | |
| 230 | Q | 32.7 | Very low | 33.2 | Very low | 196 Ų | 196 | 122.5 Ų | 122.5 | 92% | 0.916 | 86% | 0.859 | S | S | * | * | | | trans | -139.6 | 71.9 | 158.6 | -144.1 | 171.8 | 5.3 | 0 | 0 | 110 | G228 | G228-Q230 PolarHBondContact O-N 3.23Š|
| 231 | G | 30.6 | Very low | 33.3 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 86% | 0.862 | S | S | * | * | | | trans | -80.3 | 116.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 232 | G | 33.8 | Very low | 33.5 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 86% | 0.856 | S | S | * | * | | | trans | -124.8 | 90.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 233 | S | 40.5 | Very low | 33.7 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 85% | 0.854 | S | S | * | * | | | trans | -80.5 | 121.9 | 162.9 | 40 | 0 | 0 | 0 | 0 | 109.2 | | |
| 234 | Q | 34.6 | Very low | 33.7 | Very low | 201 Ų | 201 | 124.1 Ų | 124.1 | 94% | 0.939 | 85% | 0.847 | S | S | * | * | | | trans | -153.6 | 109.8 | 162 | -118.4 | 171.8 | -1.7 | 0 | 0 | 110.4 | | |
| 235 | G | 32.3 | Very low | 33.8 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | | | trans | -88 | 158.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 236 | G | 33.2 | Very low | 34.1 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | | | trans | 116.4 | 102.9 | 157 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 237 | S | 40 | Very low | 34.7 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | | | trans | -174.4 | 100.8 | 143.6 | 11.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 238 | Q | 38.3 | Very low | 35 | Very low | 198 Ų | 198 | 127.4 Ų | 127.4 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | | | | 76.3 | 129.8 | 92.5 | -77.1 | -179.7 | -16.9 | 0 | 0 | 113.6 | | |
| 239 | G | 33.2 | Very low | 35.1 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | | | trans | -82.5 | 168.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 240 | G | 28.8 | Very low | 34.8 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | | | trans | -141.9 | 100 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 241 | W | 33.8 | Very low | 34.8 | Very low | 262 Ų | 262 | 120.3 Ų | 120.3 | 99% | 0.992 | 84% | 0.835 | S | S | * | * | | | trans | -104.3 | 135.4 | 165.1 | -77 | 66.2 | 0 | 0 | 0 | 108.7 | | |
| 242 | G | 36.4 | Very low | 35.1 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | | | trans | 160.9 | 90.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 243 | N | 34.3 | Very low | 35 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 85% | 0.846 | S | S | * | * | | | | 67.7 | 123.9 | 60.7 | -147.7 | -4.5 | 0 | 0 | 0 | 114.3 | | |
| 244 | Q | 32.2 | Very low | 34.8 | Very low | 182 Ų | 182 | 126.8 Ų | 126.8 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | | | trans | 94 | 103.5 | 163 | -56.7 | -178.8 | -3 | 0 | 0 | 119.2 | | |
| 245 | G | 33.2 | Very low | 35.5 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | S | Bend | trans | 171.9 | 67.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 246 | G | 38.4 | Very low | 35.9 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 84% | 0.841 | S | S | * | * | | | trans | 103.6 | 82.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 247 | Q | 41 | Very low | 36.2 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | | | | 63.7 | 92.8 | 102.7 | -64.7 | 176.7 | 28.5 | 0 | 0 | 113.6 | | |
| 248 | Q | 37.1 | Very low | 36.4 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 87% | 0.869 | 84% | 0.844 | S | S | * | * | | | | 71 | 106.7 | 103.8 | -70.7 | 170.3 | 25.1 | 0 | 0 | 112.3 | | |
| 249 | G | 34.2 | Very low | 36.3 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | | | | 89.4 | 112.9 | 77.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 250 | G | 32.6 | Very low | 36.3 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | | | | 109.8 | 132 | 58.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 251 | G | 32 | Very low | 36.7 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | | | trans | 123.2 | 111.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 252 | R | 37.1 | Very low | 36.7 | Very low | 260 Ų | 260 | 126 Ų | 126 | 98% | 0.981 | 83% | 0.831 | S | S | * | * | | | trans | 14.1 | 135.7 | 136.2 | -61.2 | 176.1 | 178.1 | -171.8 | -1.5 | 119.7 | | |
| 253 | G | 31.8 | Very low | 36.7 | Very low | 85 Ų | 85 | 126.5 Ų | 126.5 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | | | | 123.3 | 133.7 | 128.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 254 | G | 37.2 | Very low | 36.8 | Very low | 67 Ų | 67 | 123.3 Ų | 123.3 | 69% | 0.691 | 84% | 0.839 | S | S | * | * | | | trans | 109.4 | 110.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 255 | Q | 49 | Very low | 37.1 | Very low | 193 Ų | 193 | 118 Ų | 118 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | | | cis | 43.5 | 101.5 | 34.8 | -75.2 | -166.7 | 28.3 | 0 | 0 | 114.7 | | |
| 256 | Q | 40.8 | Very low | 37.4 | Very low | 193 Ų | 193 | 126 Ų | 126 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | | | trans | -179.5 | 99.2 | 155.5 | -90.1 | 148 | 72.8 | 0 | 0 | 103.6 | | |
| 257 | G | 38.2 | Very low | 37.3 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | | | | 77.8 | 155.2 | 65.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 258 | P | 45.4 | Very low | 37.3 | Very low | 132 Ų | 132 | 122 Ų | 122 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | | | cis | -143.1 | 169.5 | -22.7 | 38.9 | -19.4 | 0 | 0 | 0 | 116 | | |
| 259 | G | 34.8 | Very low | 37.3 | Very low | 75 Ų | 75 | 116.9 Ų | 116.9 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | | | trans | 48.2 | 116.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 260 | G | 34.9 | Very low | 37.5 | Very low | 69 Ų | 69 | 125.2 Ų | 125.2 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | | | | 123.2 | 159.3 | 92 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 261 | W | 36.7 | Very low | 37.9 | Very low | 252 Ų | 252 | 125 Ų | 125 | 96% | 0.955 | 84% | 0.844 | S | S | * | * | | | cis | -159.3 | 131.7 | 19.3 | -65.9 | 69.4 | 0 | 0 | 0 | 104.3 | | |
| 262 | G | 33.8 | Very low | 38.4 | Very low | 82 Ų | 82 | 124.7 Ų | 124.7 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | | | | 94.9 | 116.1 | 98.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 263 | G | 36 | Very low | 38.7 | Very low | 84 Ų | 84 | 125.2 Ų | 125.2 | 87% | 0.866 | 84% | 0.842 | S | S | * | * | | | trans | 97.1 | 124.4 | 131.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 264 | G | 35.8 | Very low | 39.1 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | | | | 91.4 | 110.4 | 126.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 265 | G | 39.8 | Very low | 39.5 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 85% | 0.846 | S | S | * | * | | | trans | -71.6 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 266 | R | 39.6 | Very low | 39.6 | Very low | 253 Ų | 253 | 127.6 Ų | 127.6 | 96% | 0.955 | 84% | 0.842 | S | S | * | * | | | trans | 163.7 | 138 | 139.7 | -90.8 | 163.5 | -165.6 | -91.2 | 2.4 | 110.3 | | |
| 267 | G | 35.6 | Very low | 39.9 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | | | trans | 84.1 | 116.3 | 158 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 268 | G | 40.3 | Very low | 40.5 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | | | cis | 118.7 | 95.5 | 33.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 269 | G | 37.8 | Very low | 40.5 | Very low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | | | trans | -156.8 | 113.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 270 | W | 39.3 | Very low | 41 | Very low | 257 Ų | 257 | 135.7 Ų | 135.7 | 97% | 0.973 | 84% | 0.84 | S | S | * | * | | | trans | -86.8 | 153.8 | -162.2 | -67.7 | 57.4 | 0 | 0 | 0 | 112.9 | | |
| 271 | G | 41 | Very low | 41.6 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | | | trans | 120.8 | 119.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 272 | G | 41.3 | Very low | 42.1 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | | | cis | -173.6 | 127.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | G274 | G272-G274 PolarHBondContact O-N 3.31Š|
| 273 | W | 44.2 | Very low | 42.8 | Very low | 270 Ų | 270 | 142.3 Ų | 142.3 | 100% | 1.023 | 84% | 0.841 | S | S | * | * | | | trans | -84.3 | 99.7 | 174.8 | -69.1 | 77.5 | 0 | 0 | 0 | 108.2 | | |
| 274 | G | 40.4 | Very low | 43.6 | Very low | 69 Ų | 69 | 143.6 Ų | 143.6 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | | | trans | -85 | 119.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G272 | G272-G274 PolarHBondContact O-N 3.31Š|
| 275 | R | 44.8 | Very low | 44.5 | Very low | 247 Ų | 247 | 145.3 Ų | 145.3 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | | | trans | 58.9 | 97.5 | 147 | -63.5 | -174.3 | -126.3 | -101.2 | 0.5 | 118.9 | | |
| 276 | G | 52.2 | Low | 45 | Very low | 79 Ų | 79 | 154 Ų | 154 | 81% | 0.814 | 84% | 0.844 | S | S | * | * | | | | 75.7 | 78.8 | 105.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 277 | S | 47.1 | Very low | 45.7 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | | | trans | -128.9 | 80.4 | 153.6 | -63.4 | 0 | 0 | 0 | 0 | 108.5 | W279 | S277-W279 PolarHBondContact O-N 3.19Š|
| 278 | R | 49.6 | Very low | 46.3 | Very low | 250 Ų | 250 | 144.2 Ų | 144.2 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | | | trans | -78.6 | 106.7 | 171.5 | -154.8 | 178 | -157.5 | -127.9 | 4.8 | 107 | G280 | R278-G280 VanDerWaalsContact C-N 3.35Å; R278-G280 PolarHBondContact O-N 3.47Å |
| 279 | W | 46.1 | Very low | 46.4 | Very low | 218 Ų | 218 | 151.1 Ų | 151.1 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | trans | -60.5 | 92.6 | 174.3 | -65.3 | 83.5 | 0 | 0 | 0 | 109.9 | S277 W281 | S277-W279 PolarHBondContact O-N 3.19Å; W279-W281 PolarHBondContact O-N 2.87Å |
| 280 | G | 44.4 | Very low | 47 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | trans | -81.2 | 97.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R278 G282 | R278-G280 VanDerWaalsContact C-N 3.35Å; R278-G280 PolarHBondContact O-N 3.47Å; G280-G282 PolarHBondContact O-N 2.99Å; G280-G282 VanDerWaalsContact O-N 3.17Å |
| 281 | W | 47.8 | Very low | 47.4 | Very low | 232 Ų | 232 | 149.4 Ų | 149.4 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | -73.3 | 99.3 | 159.7 | -69.3 | 85.4 | 0 | 0 | 0 | 107.6 | W279 R283 | W279-W281 PolarHBondContact O-N 2.87Å; W281-R283 PolarHBondContact O-N 3.26Å |
| 282 | G | 47.3 | Very low | 48.1 | Very low | 74 Ų | 74 | 148.1 Ų | 148.1 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 117.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G280 | G280-G282 PolarHBondContact O-N 2.99Å; G280-G282 VanDerWaalsContact O-N 3.17Å |
| 283 | R | 49.1 | Very low | 48.8 | Very low | 236 Ų | 236 | 160.3 Ų | 160.3 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 129.5 | 166.5 | -79.2 | -179.9 | 157.2 | -135.5 | -2.5 | 108.7 | W281 S285 | W281-R283 PolarHBondContact O-N 3.26Å; R283-S285 PolarHBondContact O-N 3.37Å |
| 284 | P | 53.1 | Low | 49 | Very low | 111 Ų | 111 | 154.8 Ų | 154.8 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 123 | 168.5 | -16.6 | 29.2 | 0 | 0 | 0 | 109.9 | | |
| 285 | S | 54.7 | Low | 49.4 | Very low | 116 Ų | 116 | 159.3 Ų | 159.3 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 122.8 | 169.8 | 179.8 | 0 | 0 | 0 | 0 | 109 | R283 G287 | R283-S285 PolarHBondContact O-N 3.37Å; S285-G287 PolarHBondContact O-N 3.2Å |
| 286 | W | 48.8 | Very low | 49.7 | Very low | 252 Ų | 252 | 154.4 Ų | 154.4 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | | | trans | -79.2 | 95.3 | 170.3 | -74 | 64.1 | 0 | 0 | 0 | 107.9 | G288 | W286-G288 PolarHBondContact O-N 3.35Š|
| 287 | G | 54.5 | Low | 49.6 | Very low | 76 Ų | 76 | 158.9 Ų | 158.9 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | -75.6 | 113.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | S285 | S285-G287 PolarHBondContact O-N 3.2Š|
| 288 | G | 48.1 | Very low | 49.7 | Very low | 55 Ų | 55 | 162.3 Ų | 162.3 | 57% | 0.567 | 83% | 0.825 | S | S | * | * | | | trans | -86.7 | 165.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | W286 | W286-G288 PolarHBondContact O-N 3.35Š|
| 289 | W | 43.9 | Very low | 49.7 | Very low | 223 Ų | 223 | 156.5 Ų | 156.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | | | trans | 81.9 | 102.2 | 154.8 | -48.1 | 88.3 | 0 | 0 | 0 | 118.5 | R291 | W289-R291 VanDerWaalsContact CZ3-NH2 3.34Š|
| 290 | G | 50.2 | Low | 50 | Low | 79 Ų | 79 | 152.1 Ų | 152.1 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | | | trans | -151.3 | 92.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 291 | R | 46.2 | Very low | 50.4 | Low | 219 Ų | 219 | 158.2 Ų | 158.2 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | | | trans | -73.2 | 125.3 | 165.8 | -65.2 | -179.2 | -145.3 | -107.5 | 8.9 | 107.5 | W289 | W289-R291 VanDerWaalsContact CZ3-NH2 3.34Š|
| 292 | G | 56.1 | Low | 50.6 | Low | 57 Ų | 57 | 152 Ų | 152 | 59% | 0.588 | 82% | 0.817 | S | S | * | * | | | trans | -102.6 | 123.4 | 161 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 293 | W | 55.6 | Low | 50.9 | Low | 326 Ų | 326 | 159.1 Ų | 159.1 | 100% | 1.235 | 82% | 0.821 | S | S | * | * | | | trans | -8.5 | 0 | 145.7 | 47.2 | 3.8 | 0 | 0 | 0 | 118 | | |