| 1 | M | 55.9 | Low | 69.6 | Low | 194 Ų | 194 | 109.4 Ų | 109.4 | 96% | 0.956 | 57% | 0.569 | S | S | * | * | | | | 0 | 155.1 | 0 | -64.9 | 159.9 | 91.5 | 0 | 0 | 108.4 | | |
| 2 | K | 57.4 | Low | 70.3 | Confident | 159 Ų | 159 | 109.6 Ų | 109.6 | 69% | 0.691 | 57% | 0.571 | S | S | * | * | | | trans | -70.1 | 135.8 | 176.5 | -63.1 | 179.3 | -179.8 | 179.2 | 0 | 109.5 | N4 I5 | K2-N4 PolarHBondContact O-N 3.04Å; K2-I5 HydrophobicContact CB-CD1 3.99Å; K2-I5 HydrophobicContact CB-CG1 4.21Å; K2-I5 WeakPolarHBondContact O-CB 3.35Å; K2-I5 PolarHBondContact O-N 3.32Å |
| 3 | P | 63.6 | Low | 70.5 | Confident | 95 Ų | 95 | 108.9 Ų | 108.9 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.7 | -35 | -173.4 | 21.7 | -32.2 | 0 | 0 | 0 | 112.9 | I5 I6 F7 | P3-I5 PolarHBondContact O-N 3.1Å; P3-I5 VanDerWaalsContact O-N 3.12Å; P3-I6 PolarHBondContact O-N 3.3Å; P3-F7 PolarHBondContact O-N 2.93Å |
| 4 | N | 65.4 | Low | 70.7 | Confident | 120 Ų | 120 | 108.1 Ų | 108.1 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -55.1 | -31.1 | 177.2 | -51 | 28.3 | 0 | 0 | 0 | 112.9 | K2 V8 | K2-N4 PolarHBondContact O-N 3.04Å; N4-V8 WeakPolarHBondContact O-CG2 3.23Å; N4-V8 PolarHBondContact O-N 3.33Å; N4-V8 VanDerWaalsContact O-N 3.1Å |
| 5 | I | 72 | Confident | 70.6 | Confident | 79 Ų | 79 | 107.7 Ų | 107.7 | 41% | 0.405 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.4 | -40.1 | 179.8 | -59.1 | 171.4 | 0 | 0 | 0 | 110.4 | K2 P3 V8 L9 | K2-I5 HydrophobicContact CB-CD1 3.99Å; K2-I5 HydrophobicContact CB-CG1 4.21Å; K2-I5 WeakPolarHBondContact O-CB 3.35Å; K2-I5 PolarHBondContact O-N 3.32Å; P3-I5 PolarHBondContact O-N 3.1Å; P3-I5 VanDerWaalsContact O-N 3.12Å; I5-V8 PolarHBondContact O-N 3.46Å; I5-L9 HydrophobicContact CG2-CD1 4.1Å; I5-L9 WeakPolarHBondContact O-CG 3.45Å; I5-L9 PolarHBondContact O-N 3.2Å; I5-L9 VanDerWaalsContact O-N 3.11Å |
| 6 | I | 70.3 | Confident | 70.1 | Confident | 97 Ų | 97 | 109.3 Ų | 109.3 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -44.7 | 178.5 | -56.5 | 176.1 | 0 | 0 | 0 | 109.3 | P3 V8 L9 S10 | P3-I6 PolarHBondContact O-N 3.3Å; I6-V8 PolarHBondContact O-N 3.14Å; I6-L9 PolarHBondContact O-N 3.09Å; I6-S10 PolarHBondContact O-N 3Å; I6-S10 PolarHBondContact O-OG 3.18Å; I6-S10 VanDerWaalsContact O-OG 3.11Å |
| 7 | F | 73.4 | Confident | 69.4 | Low | 143 Ų | 143 | 112.3 Ų | 112.3 | 63% | 0.627 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.5 | -44.9 | 177.9 | -175.5 | -108.3 | 0 | 0 | 0 | 113 | P3 S10 L11 | P3-F7 PolarHBondContact O-N 2.93Å; F7-S10 PolarHBondContact O-N 2.9Å; F7-L11 HydrophobicContact CD1-CD1 3.93Å; F7-L11 HydrophobicContact CE1-CD1 3.44Å; F7-L11 VanDerWaalsContact CE1-CD1 3.44Å; F7-L11 HydrophobicContact CE2-CD1 4.48Å; F7-L11 HydrophobicContact CZ-CD1 3.76Å; F7-L11 PolarHBondContact O-N 3.17Å |
| 8 | V | 77.6 | Confident | 68.4 | Low | 88 Ų | 88 | 112.6 Ų | 112.6 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 176.8 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | N4 I5 I6 L11 L12 | N4-V8 WeakPolarHBondContact O-CG2 3.23Å; N4-V8 PolarHBondContact O-N 3.33Å; N4-V8 VanDerWaalsContact O-N 3.1Å; I5-V8 PolarHBondContact O-N 3.46Å; I6-V8 PolarHBondContact O-N 3.14Å; V8-L11 PolarHBondContact O-N 2.81Å; V8-L12 PolarHBondContact O-N 3.46Å |
| 9 | L | 76.4 | Confident | 67.5 | Low | 92 Ų | 92 | 110.4 Ų | 110.4 | 48% | 0.482 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.8 | -39.9 | 176.6 | -70.7 | 169.2 | 0 | 0 | 0 | 112.2 | I5 I6 L12 L13 | I5-L9 HydrophobicContact CG2-CD1 4.1Å; I5-L9 WeakPolarHBondContact O-CG 3.45Å; I5-L9 PolarHBondContact O-N 3.2Å; I5-L9 VanDerWaalsContact O-N 3.11Å; I6-L9 PolarHBondContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-L13 PolarHBondContact O-N 3.44Å; L9-L13 VanDerWaalsContact O-N 3.12Å |
| 10 | S | 74.9 | Confident | 66.7 | Low | 58 Ų | 58 | 109 Ų | 109 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -42 | 174.3 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | I6 F7 I14 | I6-S10 PolarHBondContact O-N 3Å; I6-S10 PolarHBondContact O-OG 3.18Å; I6-S10 VanDerWaalsContact O-OG 3.11Å; F7-S10 PolarHBondContact O-N 2.9Å; S10-I14 WeakPolarHBondContact O-CD1 3.46Å; S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.4Å; S10-I14 PolarHBondContact O-N 3.29Å; S10-I14 VanDerWaalsContact O-N 3.15Å |
| 11 | L | 78.4 | Confident | 65.9 | Low | 78 Ų | 78 | 109.8 Ų | 109.8 | 41% | 0.408 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.9 | -43.7 | 174.5 | -95.9 | 162.2 | 0 | 0 | 0 | 112.1 | F7 V8 I14 L15 | F7-L11 HydrophobicContact CD1-CD1 3.93Å; F7-L11 HydrophobicContact CE1-CD1 3.44Å; F7-L11 VanDerWaalsContact CE1-CD1 3.44Å; F7-L11 HydrophobicContact CE2-CD1 4.48Å; F7-L11 HydrophobicContact CZ-CD1 3.76Å; F7-L11 PolarHBondContact O-N 3.17Å; V8-L11 PolarHBondContact O-N 2.81Å; L11-I14 PolarHBondContact O-N 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.35Å; L11-L15 PolarHBondContact O-N 2.91Å; L11-L15 VanDerWaalsContact O-N 3.09Å |
| 12 | L | 78.7 | Confident | 65.3 | Low | 112 Ų | 112 | 109 Ų | 109 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.4 | -46.1 | -179.4 | -152.5 | 72.4 | 0 | 0 | 0 | 111.6 | V8 L9 I14 L15 E16 | V8-L12 PolarHBondContact O-N 3.46Å; L9-L12 PolarHBondContact O-N 2.89Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 2.77Å; L12-E16 WeakPolarHBondContact O-CB 3.5Å; L12-E16 PolarHBondContact O-N 3.08Å |
| 13 | L | 72.8 | Confident | 65 | Low | 101 Ų | 101 | 104.3 Ų | 104.3 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.5 | -31.1 | 175.9 | -80.9 | 161.9 | 0 | 0 | 0 | 113.8 | L9 | L9-L13 PolarHBondContact O-N 3.44Å; L9-L13 VanDerWaalsContact O-N 3.12Å |
| 14 | I | 72.9 | Confident | 64.2 | Low | 97 Ų | 97 | 109 Ų | 109 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74.1 | -37.4 | 176.4 | -70.6 | 165 | 0 | 0 | 0 | 111.1 | S10 L11 L12 Q18 | S10-I14 WeakPolarHBondContact O-CD1 3.46Å; S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.4Å; S10-I14 PolarHBondContact O-N 3.29Å; S10-I14 VanDerWaalsContact O-N 3.15Å; L11-I14 PolarHBondContact O-N 3.28Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.49Å; I14-Q18 PolarHBondContact O-NE2 3.31Å |
| 15 | L | 69.8 | Low | 63.4 | Low | 103 Ų | 103 | 113.7 Ų | 113.7 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.1 | -41.6 | 177.6 | -68.8 | 169.8 | 0 | 0 | 0 | 112 | L11 L12 K17 Q18 A19 | L11-L15 WeakPolarHBondContact O-CG 3.35Å; L11-L15 PolarHBondContact O-N 2.91Å; L11-L15 VanDerWaalsContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 2.77Å; L15-K17 VanDerWaalsContact C-N 3.31Å; L15-K17 PolarHBondContact O-N 3.31Å; L15-Q18 PolarHBondContact O-N 3.31Å; L15-A19 PolarHBondContact O-N 3.12Å |
| 16 | E | 62.6 | Low | 61.8 | Low | 133 Ų | 133 | 113.6 Ų | 113.6 | 62% | 0.621 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -55.2 | -44.9 | 177 | -173.7 | -180 | -176.1 | 0 | 0 | 111.8 | L12 Q18 A19 A20 | L12-E16 WeakPolarHBondContact O-CB 3.5Å; L12-E16 PolarHBondContact O-N 3.08Å; E16-Q18 PolarHBondContact O-N 2.85Å; E16-A19 PolarHBondContact O-N 2.72Å; E16-A20 PolarHBondContact O-N 3.45Å |
| 17 | K | 56.9 | Low | 60.4 | Low | 160 Ų | 160 | 113.1 Ų | 113.1 | 70% | 0.696 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.7 | -19.5 | 177.4 | -73.1 | -172.4 | 175.4 | -174.4 | 0 | 114.5 | L15 | L15-K17 VanDerWaalsContact C-N 3.31Å; L15-K17 PolarHBondContact O-N 3.31Å |
| 18 | Q | 52.1 | Low | 58.7 | Low | 117 Ų | 117 | 111.8 Ų | 111.8 | 55% | 0.547 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -85 | -31.8 | 176.1 | -68 | 176.4 | 35.7 | 0 | 0 | 111.9 | I14 L15 E16 A20 V21 | I14-Q18 PolarHBondContact O-NE2 3.31Å; L15-Q18 PolarHBondContact O-N 3.31Å; E16-Q18 PolarHBondContact O-N 2.85Å; Q18-A20 VanDerWaalsContact C-N 3.34Å; Q18-A20 PolarHBondContact O-N 3.08Å; Q18-V21 PolarHBondContact O-N 2.89Å |
| 19 | A | 50.9 | Low | 57.1 | Low | 71 Ų | 71 | 118.6 Ų | 118.6 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -61.7 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L15 E16 V21 M22 | L15-A19 PolarHBondContact O-N 3.12Å; E16-A19 PolarHBondContact O-N 2.72Å; A19-V21 PolarHBondContact O-N 2.78Å; A19-M22 PolarHBondContact O-N 3.17Å |
| 20 | A | 51.6 | Low | 55.1 | Low | 83 Ų | 83 | 117.2 Ų | 117.2 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -62 | -26.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E16 Q18 | E16-A20 PolarHBondContact O-N 3.45Å; Q18-A20 VanDerWaalsContact C-N 3.34Å; Q18-A20 PolarHBondContact O-N 3.08Å |
| 21 | V | 49.8 | Very low | 52.9 | Low | 126 Ų | 126 | 126 Ų | 126 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -87.3 | -19.3 | -176.9 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | Q18 A19 | Q18-V21 PolarHBondContact O-N 2.89Å; A19-V21 PolarHBondContact O-N 2.78Å |
| 22 | M | 44.3 | Very low | 50.8 | Low | 177 Ų | 177 | 129.8 Ų | 129.8 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -98.6 | 20.9 | 178.3 | -79 | 176.2 | 51.1 | 0 | 0 | 113.6 | A19 | A19-M22 PolarHBondContact O-N 3.17Š|
| 23 | G | 49.9 | Very low | 48.9 | Very low | 60 Ų | 60 | 130.4 Ų | 130.4 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | | | trans | -103.7 | 8.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 24 | Q | 46.8 | Very low | 46.9 | Very low | 194 Ų | 194 | 130.4 Ų | 130.4 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | | | trans | -143.9 | 75.1 | -175.8 | -125 | -178.9 | 40.2 | 0 | 0 | 115.6 | | |
| 25 | K | 48.3 | Very low | 44.7 | Very low | 219 Ų | 219 | 135 Ų | 135 | 95% | 0.952 | 77% | 0.767 | S | S | * | * | | | trans | -145.1 | 45.5 | 162.3 | -152.5 | 171.8 | -176.3 | 175.9 | 0 | 113.6 | | |
| 26 | G | 38.8 | Very low | 42.8 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | -116.2 | 130.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 27 | G | 42.1 | Very low | 41.2 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | trans | -89.8 | 154.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 28 | S | 36.9 | Very low | 39.9 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -120.5 | 122.1 | 167.4 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | G30 | S28-G30 PolarHBondContact O-N 3.35Š|
| 29 | K | 43.5 | Very low | 38.8 | Very low | 230 Ų | 230 | 138.1 Ų | 138.1 | 100% | 1 | 80% | 0.8 | S | S | * | * | | | trans | -78.7 | 91.4 | 161.2 | -80.4 | -171.5 | 174.6 | -177.5 | 0 | 107.7 | | |
| 30 | G | 34.1 | Very low | 38.4 | Very low | 63 Ų | 63 | 140.1 Ų | 140.1 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | | | trans | -127.3 | 95.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S28 | S28-G30 PolarHBondContact O-N 3.35Š|
| 31 | R | 30.5 | Very low | 37.4 | Very low | 243 Ų | 243 | 145.8 Ų | 145.8 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | | | trans | 4.3 | 128.1 | 157.5 | -154.1 | 178.1 | -167.8 | -154.5 | 2.9 | 118.8 | | |
| 32 | L | 34.2 | Very low | 36.4 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -55.3 | 151.6 | 168.3 | -61.5 | 170.4 | 0 | 0 | 0 | 113.5 | | |
| 33 | P | 37.4 | Very low | 35.8 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | | | | -100.2 | 156.7 | 127 | 34.6 | -31.4 | 0 | 0 | 0 | 110.9 | | |
| 34 | S | 31.1 | Very low | 35 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 71% | 0.706 | 84% | 0.836 | S | S | * | * | | | trans | -125.3 | 121.9 | -171.4 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 35 | E | 26.7 | Very low | 34.1 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | | | trans | 178.7 | 147 | 162.5 | -101.8 | 158.8 | -162.6 | 0 | 0 | 107.5 | | |
| 36 | S | 29.5 | Very low | 33.3 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | | | cis | -154.7 | 179.6 | -14.4 | 68 | 0 | 0 | 0 | 0 | 111 | | |
| 37 | S | 30.5 | Very low | 32.9 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 66% | 0.664 | 83% | 0.827 | S | S | * | * | | | trans | -13.2 | 127.8 | 173 | -171.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 38 | Q | 29 | Very low | 32.3 | Very low | 171 Ų | 171 | 155.5 Ų | 155.5 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | | | | -165.2 | 117.8 | 105.6 | -155.2 | 73.1 | -14.4 | 0 | 0 | 111.8 | | |
| 39 | F | 29.6 | Very low | 32.4 | Very low | 202 Ų | 202 | 156.2 Ų | 156.2 | 89% | 0.886 | 83% | 0.83 | S | S | * | * | | | trans | -124.7 | 125 | 173 | -113.3 | -74.3 | 0 | 0 | 0 | 110.2 | | |
| 40 | P | 41.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | trans | -89.8 | 127.1 | 156 | 31.8 | -27.2 | 0 | 0 | 0 | 110.7 | | |
| 41 | H | 30.8 | Very low | 31.3 | Very low | 203 Ų | 203 | 154.5 Ų | 154.5 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | | | trans | -32.3 | 137.7 | 173.5 | -129.8 | 54.9 | 0 | 0 | 0 | 116.9 | | |
| 42 | G | 28.1 | Very low | 31.9 | Very low | 70 Ų | 70 | 153 Ų | 153 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | | | trans | -163.8 | 59.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 43 | Q | 31.7 | Very low | 31.6 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | | | trans | 69.1 | 156.8 | 163.5 | -55 | -171.2 | 0.3 | 0 | 0 | 119.4 | | |
| 44 | K | 33 | Very low | 31.3 | Very low | 217 Ų | 217 | 152.6 Ų | 152.6 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | | | trans | -102 | 144.6 | -178.6 | -62.4 | 173.6 | 178.9 | 175.4 | 0 | 110.3 | | |
| 45 | G | 29.5 | Very low | 31.9 | Very low | 73 Ų | 73 | 157.1 Ų | 157.1 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | | | trans | -161.1 | 70.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 46 | Q | 30 | Very low | 32.1 | Very low | 177 Ų | 177 | 156.9 Ų | 156.9 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | | | trans | 47.7 | 127.4 | 158.4 | -54.8 | -61.4 | -4 | 0 | 0 | 120.7 | | |
| 47 | H | 30.8 | Very low | 32.3 | Very low | 187 Ų | 187 | 158.1 Ų | 158.1 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | | | trans | -75 | 132.5 | 162.1 | -75.1 | -97.8 | 0 | 0 | 0 | 111.1 | | |
| 48 | Y | 30.5 | Very low | 32.4 | Very low | 219 Ų | 219 | 161.5 Ų | 161.5 | 86% | 0.859 | 84% | 0.843 | S | S | * | * | | | trans | -135.9 | 122 | 151.4 | -94.8 | -81.3 | 0 | 0 | 0 | 111 | | |
| 49 | S | 37.5 | Very low | 32.6 | Very low | 130 Ų | 130 | 159 Ų | 159 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | | | trans | -79.2 | 122.6 | 166.1 | 175 | 0 | 0 | 0 | 0 | 108.4 | | |
| 50 | G | 27.6 | Very low | 33.1 | Very low | 68 Ų | 68 | 158.2 Ų | 158.2 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | | | trans | -149.6 | 68.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 51 | Q | 27.9 | Very low | 32.3 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | | | trans | 54.6 | 131.8 | 143.8 | -156 | 167.9 | 16.5 | 0 | 0 | 119.9 | G53 | Q51-G53 PolarHBondContact O-N 3.24Š|
| 52 | K | 42.5 | Very low | 32.4 | Very low | 210 Ų | 210 | 150.9 Ų | 150.9 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | | | trans | -60.5 | 104 | 168.6 | -86.4 | -175.6 | 172.9 | 179.3 | 0 | 110.9 | | |
| 53 | G | 27.8 | Very low | 32.4 | Very low | 73 Ų | 73 | 156.9 Ų | 156.9 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 152.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q51 | Q51-G53 PolarHBondContact O-N 3.24Š|
| 54 | K | 32.4 | Very low | 32.3 | Very low | 201 Ų | 201 | 152.8 Ų | 152.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 165.8 | -179.5 | -63.7 | 178.5 | -178.6 | 177.7 | 0 | 111.2 | Q56 | K54-Q56 PolarHBondContact O-N 3.31Š|
| 55 | Q | 43.3 | Very low | 32.1 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 129.6 | 168 | -68.6 | 170.3 | -54.5 | 0 | 0 | 110.2 | | |
| 56 | Q | 29.5 | Very low | 32 | Very low | 190 Ų | 190 | 153.3 Ų | 153.3 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | -118.8 | 139.3 | 164.6 | -78.6 | -163.9 | -26.7 | 0 | 0 | 110.5 | K54 | K54-Q56 PolarHBondContact O-N 3.31Š|
| 57 | T | 34.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 153 Ų | 153 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | | | trans | -35.7 | 148.1 | 172.6 | -47.8 | 0 | 0 | 0 | 0 | 114.9 | S59 | T57-S59 PolarHBondContact O-N 3.06Š|
| 58 | E | 32 | Very low | 31.9 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -46.7 | 106.6 | 173.9 | -58.7 | 178.3 | 162 | 0 | 0 | 113 | K60 | E58-K60 PolarHBondContact O-N 3.14Š|
| 59 | S | 33.5 | Very low | 31.9 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -80.9 | 105.5 | 169.9 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | T57 G61 | T57-S59 PolarHBondContact O-N 3.06Å; S59-G61 PolarHBondContact O-N 2.97Å |
| 60 | K | 40 | Very low | 31.6 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -76.2 | 64.2 | 173.7 | -69.9 | -175.7 | 177.1 | 178.6 | 0 | 111.4 | E58 S62 | E58-K60 PolarHBondContact O-N 3.14Å; K60-S62 PolarHBondContact O-N 3.14Å |
| 61 | G | 26.4 | Very low | 31.9 | Very low | 45 Ų | 45 | 153 Ų | 153 | 46% | 0.464 | 79% | 0.787 | S | S | . | * | | | trans | -79.9 | 98.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S59 F63 | S59-G61 PolarHBondContact O-N 2.97Å; G61-F63 WeakPolarHBondContact O-CD2 3.34Å; G61-F63 PolarHBondContact O-N 3.3Å |
| 62 | S | 32.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -80.9 | 109.5 | 171.9 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | K60 | K60-S62 PolarHBondContact O-N 3.14Š|
| 63 | F | 28.8 | Very low | 32 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -87.3 | 112.5 | 174.2 | -60.5 | -82.8 | 0 | 0 | 0 | 110.7 | G61 | G61-F63 WeakPolarHBondContact O-CD2 3.34Å; G61-F63 PolarHBondContact O-N 3.3Å |
| 64 | S | 28.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -89.2 | 115.3 | 174.4 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 65 | I | 29.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 67% | 0.672 | 77% | 0.769 | S | S | * | * | | | trans | -93 | 113.5 | 168.2 | -57 | 176.9 | 0 | 0 | 0 | 108.1 | Y67 | I65-Y67 HydrophobicContact CB-CE2 4.4Å; I65-Y67 HydrophobicContact CG2-CD2 3.95Å; I65-Y67 HydrophobicContact CG2-CE2 3.52Å |
| 66 | Q | 26.7 | Very low | 31.9 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | -79.8 | 129.9 | 169 | -74.2 | -174.7 | -12.8 | 0 | 0 | 109.9 | | |
| 67 | Y | 28.8 | Very low | 32.6 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | -110.1 | 103.2 | 164.9 | -78.7 | -83.2 | 0 | 0 | 0 | 109.2 | I65 Y69 | I65-Y67 HydrophobicContact CB-CE2 4.4Å; I65-Y67 HydrophobicContact CG2-CD2 3.95Å; I65-Y67 HydrophobicContact CG2-CE2 3.52Å; Y67-Y69 PolarHBondContact O-N 2.87Å |
| 68 | T | 30.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | | | trans | -83.1 | 99.7 | 177.5 | -51.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 69 | Y | 30.6 | Very low | 32.7 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | trans | -91.2 | 111.8 | 169 | -68.3 | -80.1 | 0 | 0 | 0 | 109.7 | Y67 V71 | Y67-Y69 PolarHBondContact O-N 2.87Å; Y69-V71 PolarHBondContact O-N 3.45Å |
| 70 | H | 32.3 | Very low | 32.6 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | -77.6 | 105.5 | 164.4 | -75.1 | -82.6 | 0 | 0 | 0 | 108.8 | | |
| 71 | V | 32.3 | Very low | 32.2 | Very low | 123 Ų | 123 | 147 Ų | 147 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | | | trans | -98.7 | 110.5 | 162.4 | -179.8 | 0 | 0 | 0 | 0 | 106.4 | Y69 A73 | Y69-V71 PolarHBondContact O-N 3.45Å; V71-A73 HydrophobicContact CG1-CB 4.42Å; V71-A73 PolarHBondContact O-N 3.33Å |
| 72 | D | 40.1 | Very low | 32.7 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -77.3 | 115 | 169.5 | -173.6 | 12.1 | 0 | 0 | 0 | 108.7 | | |
| 73 | A | 33.4 | Very low | 32.6 | Very low | 77 Ų | 77 | 152.8 Ų | 152.8 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | trans | -153.3 | 124.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | V71 | V71-A73 HydrophobicContact CG1-CB 4.42Å; V71-A73 PolarHBondContact O-N 3.33Å |
| 74 | N | 34.5 | Very low | 32.6 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | | | trans | -67.9 | 150.6 | 176 | -80.6 | -67.2 | 0 | 0 | 0 | 111.9 | | |
| 75 | D | 32.7 | Very low | 32.6 | Very low | 133 Ų | 133 | 156 Ų | 156 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | 81.9 | 140.8 | 157.6 | -106.6 | -31.1 | 0 | 0 | 0 | 122.3 | | |
| 76 | H | 33.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 156.2 Ų | 156.2 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | | | trans | 63.8 | 58.4 | 156.8 | -57.8 | -10.3 | 0 | 0 | 0 | 119 | Q78 | H76-Q78 PolarHBondContact O-N 3.25Š|
| 77 | D | 45.2 | Very low | 32.9 | Very low | 148 Ų | 148 | 155.4 Ų | 155.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | | 29.1 | 81.8 | 114.4 | -160.6 | 9 | 0 | 0 | 0 | 117.9 | | |
| 78 | Q | 32.3 | Very low | 33.4 | Very low | 169 Ų | 169 | 154.2 Ų | 154.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -135.9 | 97.4 | 151.3 | -74.9 | -158 | 7.5 | 0 | 0 | 111.1 | H76 R80 | H76-Q78 PolarHBondContact O-N 3.25Å; Q78-R80 PolarHBondContact O-N 3.16Å |
| 79 | T | 36.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -70.6 | 85 | 175.2 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | K81 | T79-K81 HydrophobicContact CG2-CG 4.43Š|
| 80 | R | 31.4 | Very low | 33.7 | Very low | 224 Ų | 224 | 151.4 Ų | 151.4 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -98.2 | 91.7 | 171.2 | -120.6 | -177.3 | -178.2 | -167.5 | 1.2 | 111.2 | Q78 S82 | Q78-R80 PolarHBondContact O-N 3.16Å; R80-S82 PolarHBondContact O-N 3.26Å; R80-S82 VanDerWaalsContact O-N 3.12Å |
| 81 | K | 31.3 | Very low | 33.7 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -64.8 | 106.9 | 169.7 | -66.9 | -178.4 | -179.3 | 178.4 | 0 | 109.8 | T79 | T79-K81 HydrophobicContact CG2-CG 4.43Š|
| 82 | S | 35.5 | Very low | 33.7 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -94.9 | 115.5 | 167.3 | 45.9 | 0 | 0 | 0 | 0 | 110.4 | R80 | R80-S82 PolarHBondContact O-N 3.26Å; R80-S82 VanDerWaalsContact O-N 3.12Å |
| 83 | Q | 30.2 | Very low | 33.3 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | trans | -91.7 | 104.4 | 156.9 | -75.2 | -177.9 | -18.5 | 0 | 0 | 107.2 | | |
| 84 | Q | 29.5 | Very low | 33.1 | Very low | 184 Ų | 184 | 156.1 Ų | 156.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -87.1 | 120.1 | 174.5 | -176.4 | 169.4 | -33.1 | 0 | 0 | 109.2 | | |
| 85 | Y | 28.1 | Very low | 32.9 | Very low | 195 Ų | 195 | 158.3 Ų | 158.3 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | trans | -72.2 | 134.3 | 170.3 | -72.9 | -91.5 | 0 | 0 | 0 | 109.8 | L87 | Y85-L87 PolarHBondContact O-N 3.23Å; Y85-L87 VanDerWaalsContact O-N 3.08Å |
| 86 | D | 29.2 | Very low | 32.7 | Very low | 134 Ų | 134 | 157.9 Ų | 157.9 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | trans | -78.9 | 89.6 | 179.3 | -176.2 | 24.4 | 0 | 0 | 0 | 111.2 | N88 | D86-N88 PolarHBondContact O-N 3.31Å; D86-N88 VanDerWaalsContact O-N 3.14Å; D86-N88 PolarHBondContact OD2-ND2 3.47Å |
| 87 | L | 32.9 | Very low | 32.4 | Very low | 154 Ų | 154 | 159.2 Ų | 159.2 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | | | trans | -76.4 | 93.1 | 169.1 | -74.2 | 175.1 | 0 | 0 | 0 | 109.6 | Y85 A89 | Y85-L87 PolarHBondContact O-N 3.23Å; Y85-L87 VanDerWaalsContact O-N 3.08Å; L87-A89 PolarHBondContact O-N 3.25Å |
| 88 | N | 39.3 | Very low | 31.6 | Very low | 146 Ų | 146 | 162.3 Ų | 162.3 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | | | trans | -65.6 | 78.6 | 170.8 | -97 | -86.4 | 0 | 0 | 0 | 111.6 | D86 | D86-N88 PolarHBondContact O-N 3.31Å; D86-N88 VanDerWaalsContact O-N 3.14Å; D86-N88 PolarHBondContact OD2-ND2 3.47Å |
| 89 | A | 34.3 | Very low | 31.4 | Very low | 66 Ų | 66 | 161.8 Ų | 161.8 | 55% | 0.545 | 80% | 0.803 | S | S | . | * | | | trans | -105.4 | 122.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L87 H91 | L87-A89 PolarHBondContact O-N 3.25Å; A89-H91 PolarHBondContact O-CD2 3.01Å; A89-H91 PolarHBondContact O-N 3.47Å |
| 90 | L | 33.6 | Very low | 31 | Very low | 174 Ų | 174 | 163.7 Ų | 163.7 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | -72.7 | 84.5 | -170.9 | -177.5 | 63.8 | 0 | 0 | 0 | 112.5 | K92 | L90-K92 PolarHBondContact O-N 3.34Š|
| 91 | H | 31.9 | Very low | 31.1 | Very low | 167 Ų | 167 | 157.1 Ų | 157.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -73.3 | 113.4 | 174.9 | -83.7 | -86.2 | 0 | 0 | 0 | 112.4 | A89 | A89-H91 PolarHBondContact O-CD2 3.01Å; A89-H91 PolarHBondContact O-N 3.47Å |
| 92 | K | 31.9 | Very low | 30.8 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | -74.5 | 141.9 | 153.8 | -74.4 | -175.9 | 176.8 | 178.5 | 0 | 109.2 | L90 T94 | L90-K92 PolarHBondContact O-N 3.34Å; K92-T94 PolarHBondContact O-N 3.38Å |
| 93 | T | 31.6 | Very low | 30.4 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -81.8 | 114.2 | -169.7 | 38.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 94 | T | 30 | Very low | 30.4 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 133.5 | 159.8 | -54.1 | 0 | 0 | 0 | 0 | 108.7 | K92 | K92-T94 PolarHBondContact O-N 3.38Š|
| 95 | K | 30.2 | Very low | 30.2 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 128.9 | -179.1 | -64.8 | 179.7 | -178.8 | 178.1 | 0 | 110.1 | | |
| 96 | S | 29 | Very low | 30.2 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 116.5 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 97 | E | 26.5 | Very low | 30 | Very low | 184 Ų | 184 | 149.8 Ų | 149.8 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 139.5 | 164.6 | -173.9 | 154.5 | -147.2 | 0 | 0 | 109 | | |
| 98 | R | 29.2 | Very low | 29.7 | Very low | 212 Ų | 212 | 150.5 Ų | 150.5 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 138.6 | -178.7 | -66 | 176.8 | -71.5 | -177.9 | -2.5 | 109.3 | | |
| 99 | H | 26.4 | Very low | 29.1 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 73% | 0.731 | 81% | 0.81 | S | S | * | * | | | | -174.1 | 146.1 | 110.7 | -106.6 | -75.4 | 0 | 0 | 0 | 114.6 | | |
| 100 | L | 29.1 | Very low | 28.9 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | | | trans | 65 | 136.3 | 157.1 | -61.5 | 167.7 | 0 | 0 | 0 | 118.3 | | |
| 101 | G | 33.7 | Very low | 28.7 | Very low | 86 Ų | 86 | 158 Ų | 158 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | | | trans | -92.5 | 138.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 102 | G | 24.3 | Very low | 28.6 | Very low | 69 Ų | 69 | 159 Ų | 159 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | trans | -138.8 | 130.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q104 | G102-Q104 PolarHBondContact O-N 3.09Š|
| 103 | S | 27.2 | Very low | 28.4 | Very low | 125 Ų | 125 | 153 Ų | 153 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -72.4 | 110.2 | -175.4 | -169 | 0 | 0 | 0 | 0 | 110.9 | Q105 | S103-Q105 PolarHBondContact O-N 3.3Š|
| 104 | Q | 30.1 | Very low | 28.6 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | | | trans | -81 | 100.7 | 171.9 | -72 | -171.2 | -4.5 | 0 | 0 | 109.8 | G102 L106 | G102-Q104 PolarHBondContact O-N 3.09Å; Q104-L106 PolarHBondContact O-N 3.3Å; Q104-L106 VanDerWaalsContact O-N 3.09Å |
| 105 | Q | 26.1 | Very low | 28.5 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | | | trans | -79 | 90.6 | 174.2 | -164.8 | 168.4 | 24.7 | 0 | 0 | 109.8 | S103 L107 | S103-Q105 PolarHBondContact O-N 3.3Å; Q105-L107 PolarHBondContact O-N 3.12Å |
| 106 | L | 26.8 | Very low | 28.9 | Very low | 141 Ų | 141 | 158.1 Ų | 158.1 | 74% | 0.738 | 83% | 0.825 | S | S | * | * | | | trans | -69.6 | 93.3 | -176.9 | -174 | 71.8 | 0 | 0 | 0 | 111.7 | Q104 H108 | Q104-L106 PolarHBondContact O-N 3.3Å; Q104-L106 VanDerWaalsContact O-N 3.09Å; L106-H108 PolarHBondContact O-N 3.36Å; L106-H108 VanDerWaalsContact O-N 3.14Å |
| 107 | L | 26.1 | Very low | 29.1 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | trans | -74.1 | 99.4 | 172.9 | -70.1 | 173.2 | 0 | 0 | 0 | 110.7 | Q105 N109 | Q105-L107 PolarHBondContact O-N 3.12Å; L107-N109 PolarHBondContact O-N 3.22Å |
| 108 | H | 26 | Very low | 29.4 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 79% | 0.787 | 81% | 0.813 | S | S | * | * | | | trans | -66 | 99 | 168.6 | -97.5 | -100.5 | 0 | 0 | 0 | 110.9 | L106 | L106-H108 PolarHBondContact O-N 3.36Å; L106-H108 VanDerWaalsContact O-N 3.14Å |
| 109 | N | 26.2 | Very low | 29.8 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | | | trans | -83.4 | 122 | 157.9 | -89.6 | -24.9 | 0 | 0 | 0 | 109.4 | L107 | L107-N109 PolarHBondContact O-N 3.22Š|
| 110 | K | 31 | Very low | 30.2 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | | | trans | -68.3 | 128.8 | 161.9 | -76.5 | -173.1 | 174 | -172 | 0 | 108.1 | | |
| 111 | Q | 29.1 | Very low | 30.2 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | -121 | 93.5 | 163.7 | -163 | 153.8 | 10 | 0 | 0 | 108.8 | | |
| 112 | E | 30.2 | Very low | 30 | Very low | 186 Ų | 186 | 154 Ų | 154 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -83.5 | 113.3 | 172.9 | -173.9 | 171.8 | 163.2 | 0 | 0 | 108.2 | | |
| 113 | G | 27 | Very low | 30.3 | Very low | 68 Ų | 68 | 159.3 Ų | 159.3 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | trans | -166.5 | 114 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 114 | R | 36.8 | Very low | 30.3 | Very low | 229 Ų | 229 | 159.9 Ų | 159.9 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -75.4 | 131.8 | 165.5 | -75.4 | 165.7 | -85.6 | 177.3 | -6.2 | 107.6 | | |
| 115 | D | 27.9 | Very low | 30.3 | Very low | 157 Ų | 157 | 159.7 Ų | 159.7 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | | -178.2 | 151.4 | 111.7 | -85 | -21.7 | 0 | 0 | 0 | 110.9 | | |
| 116 | H | 38.5 | Very low | 30.4 | Very low | 201 Ų | 201 | 157.2 Ų | 157.2 | 93% | 0.931 | 78% | 0.783 | S | S | * | * | | | trans | -92.9 | 107.2 | 178.2 | -76.5 | -65.1 | 0 | 0 | 0 | 110.8 | | |
| 117 | D | 32 | Very low | 30.5 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -140.4 | 164.3 | 158.3 | -142.2 | -14.7 | 0 | 0 | 0 | 113.4 | | |
| 118 | K | 34 | Very low | 30.6 | Very low | 176 Ų | 176 | 152.3 Ų | 152.3 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | trans | -75.5 | 143.4 | -153.2 | -60.7 | 134 | -162.2 | 113.9 | 0 | 113.4 | K120 | K118-K120 PolarHBondContact O-N 2.96Š|
| 119 | S | 36.6 | Very low | 30.7 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | -59 | 115.3 | -179.6 | 41.1 | 0 | 0 | 0 | 0 | 113 | | |
| 120 | K | 35.6 | Very low | 30.9 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | | | trans | -101.7 | 151.3 | 157.7 | -73 | -178.6 | 176.4 | 175.9 | 0 | 109.3 | K118 H122 | K118-K120 PolarHBondContact O-N 2.96Å; K120-H122 PolarHBondContact O-N 3.36Å |
| 121 | G | 29.7 | Very low | 31 | Very low | 64 Ų | 64 | 151.8 Ų | 151.8 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | | | trans | -53.2 | 130.4 | -160.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F123 | G121-F123 PolarHBondContact O-N 3.49Å; G121-F123 VanDerWaalsContact O-N 3.17Å |
| 122 | H | 29 | Very low | 31.1 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | -78.8 | 91.7 | 173.9 | -76.4 | 9.4 | 0 | 0 | 0 | 111.2 | K120 H124 | K120-H122 PolarHBondContact O-N 3.36Å; H122-H124 PolarHBondContact O-N 3.09Å; H122-H124 PolarHBondContact O-ND1 3.25Å |
| 123 | F | 29.7 | Very low | 31 | Very low | 180 Ų | 180 | 141 Ų | 141 | 79% | 0.789 | 74% | 0.742 | S | S | * | * | | | trans | -69.4 | 113.2 | 164.5 | -65 | -77.6 | 0 | 0 | 0 | 109.7 | G121 R125 | G121-F123 PolarHBondContact O-N 3.49Å; G121-F123 VanDerWaalsContact O-N 3.17Å; F123-R125 PolarHBondContact O-N 2.83Å |
| 124 | H | 28.8 | Very low | 31.2 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 63% | 0.634 | 75% | 0.747 | S | S | * | * | | | trans | -86.9 | 93.2 | 178.6 | -70.7 | 68.4 | 0 | 0 | 0 | 109.8 | H122 V126 | H122-H124 PolarHBondContact O-N 3.09Å; H122-H124 PolarHBondContact O-ND1 3.25Å; H124-V126 PolarHBondContact O-N 3.23Å; H124-V126 VanDerWaalsContact O-N 3.14Å |
| 125 | R | 28.4 | Very low | 30.8 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | trans | -74.3 | 100.8 | 171.9 | -170.2 | -174 | -173.1 | -138.2 | -1.6 | 109.6 | F123 V127 E440 | F123-R125 PolarHBondContact O-N 2.83Å; R125-V127 HydrophobicContact CG-CG2 4.02Å; R125-E440 IonicContact NH2-OE2 3.97Å; R125-E440 PolarHBondContact NH2-OE2 2.96Å |
| 126 | V | 28.6 | Very low | 30.8 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | | | trans | -89.4 | 124.4 | 166.3 | -176 | 0 | 0 | 0 | 0 | 108.1 | H124 I128 | H124-V126 PolarHBondContact O-N 3.23Å; H124-V126 VanDerWaalsContact O-N 3.14Å; V126-I128 HydrophobicContact CG1-CD1 4.44Å; V126-I128 HydrophobicContact CG1-CG1 3.99Å |
| 127 | V | 28.7 | Very low | 30.3 | Very low | 63 Ų | 63 | 143.8 Ų | 143.8 | 38% | 0.382 | 75% | 0.746 | S | S | . | * | | | trans | -109.4 | 125.1 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | R125 H129 | R125-V127 HydrophobicContact CG-CG2 4.02Å; V127-H129 WeakPolarHBondContact CG1-NE2 3.4Å |
| 128 | I | 29.5 | Very low | 29.9 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | | | trans | -114.1 | 102 | -177.4 | -56 | -179.3 | 0 | 0 | 0 | 108.5 | V126 | V126-I128 HydrophobicContact CG1-CD1 4.44Å; V126-I128 HydrophobicContact CG1-CG1 3.99Å |
| 129 | H | 27.9 | Very low | 29.7 | Very low | 134 Ų | 134 | 146 Ų | 146 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | | | trans | -86.3 | 115.2 | 175.1 | -65.2 | -80.4 | 0 | 0 | 0 | 110.8 | V127 K131 D442 | V127-H129 WeakPolarHBondContact CG1-NE2 3.4Å; H129-K131 PolarHBondContact O-N 3.05Å; H129-D442 IonicContact ND1-OD2 3.18Å |
| 130 | H | 30.4 | Very low | 29.3 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | | | trans | -81.3 | 103 | 175.2 | -71 | -87.4 | 0 | 0 | 0 | 111 | G132 | H130-G132 PolarHBondContact O-N 3Š|
| 131 | K | 33.4 | Very low | 28.8 | Very low | 208 Ų | 208 | 147 Ų | 147 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | | | trans | -70.4 | 101.3 | 170.7 | -77.2 | -166.2 | 174 | -175.3 | 0 | 110.7 | H129 G133 | H129-K131 PolarHBondContact O-N 3.05Å; K131-G133 PolarHBondContact O-N 3.14Å; K131-G133 VanDerWaalsContact O-N 3.11Å |
| 132 | G | 30.6 | Very low | 29.1 | Very low | 75 Ų | 75 | 149.8 Ų | 149.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | -56.4 | 111.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H130 K134 | H130-G132 PolarHBondContact O-N 3Å; G132-K134 PolarHBondContact O-N 3.37Å |
| 133 | G | 28.5 | Very low | 29 | Very low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -72 | 121.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | K131 A135 | K131-G133 PolarHBondContact O-N 3.14Å; K131-G133 VanDerWaalsContact O-N 3.11Å; G133-A135 PolarHBondContact O-N 3.09Å |
| 134 | K | 29.7 | Very low | 29.1 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | -66.8 | 114.2 | 172.7 | -70 | -176.1 | 177.5 | -179.6 | 0 | 109.5 | G132 H136 | G132-K134 PolarHBondContact O-N 3.37Å; K134-H136 PolarHBondContact O-CD2 3.18Å; K134-H136 PolarHBondContact O-N 3.49Å |
| 135 | A | 29.2 | Very low | 29 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -62.8 | 127.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G133 | G133-A135 PolarHBondContact O-N 3.09Š|
| 136 | H | 28.8 | Very low | 29 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -82.4 | 142.6 | -179.6 | -80.2 | -96.6 | 0 | 0 | 0 | 112 | K134 W138 | K134-H136 PolarHBondContact O-CD2 3.18Å; K134-H136 PolarHBondContact O-N 3.49Å; H136-W138 PolarHBondContact O-N 3.25Å |
| 137 | R | 27.7 | Very low | 29 | Very low | 235 Ų | 235 | 147.4 Ų | 147.4 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -74.6 | 110.5 | -173.3 | 175.9 | -161.3 | -71.2 | -147.2 | -3.7 | 112.8 | | |
| 138 | W | 24.1 | Very low | 29 | Very low | 226 Ų | 226 | 152.2 Ų | 152.2 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | | | trans | -158 | 149.8 | 148.8 | -119.5 | -88.5 | 0 | 0 | 0 | 105.6 | H136 | H136-W138 PolarHBondContact O-N 3.25Š|
| 139 | T | 29.8 | Very low | 29 | Very low | 126 Ų | 126 | 152 Ų | 152 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | cis | -142.2 | 157.3 | 27 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 140 | Q | 26.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | | | trans | -76.2 | 151.4 | 174.9 | -63.8 | 163.6 | -68.2 | 0 | 0 | 112.2 | | |
| 141 | N | 25.3 | Very low | 29.3 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | | | trans | -144.8 | 129.2 | 153.6 | -110.5 | -19.2 | 0 | 0 | 0 | 108.9 | | |
| 142 | P | 35.8 | Very low | 29 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | | | trans | -105.2 | 117.5 | -175 | 35.7 | -29.1 | 0 | 0 | 0 | 113.3 | | |
| 143 | S | 28.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | | | trans | -158.3 | 116.4 | 156.8 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 144 | Q | 30.4 | Very low | 28.8 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | | | trans | 4.7 | 123.8 | 146.1 | -58.2 | 165.7 | -85.4 | 0 | 0 | 118.2 | | |
| 145 | D | 27.7 | Very low | 28.8 | Very low | 161 Ų | 161 | 149 Ų | 149 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | | | | -144 | 167.8 | 109.7 | -154.1 | -5.2 | 0 | 0 | 0 | 110 | | |
| 146 | Q | 28.9 | Very low | 28.8 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | | | trans | -93.6 | 142.3 | -171.8 | -60.3 | -174.9 | -2.6 | 0 | 0 | 113.1 | | |
| 147 | G | 26.9 | Very low | 28.8 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | | | trans | -164.9 | 101.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 148 | N | 28.9 | Very low | 28.8 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | | | trans | -72.2 | 133.5 | -172.9 | -68.4 | -43.6 | 0 | 0 | 0 | 113.1 | | |
| 149 | S | 29.8 | Very low | 28.8 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | -156.9 | 134.9 | 150.3 | -80.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 150 | P | 35.2 | Very low | 28.6 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | | | trans | -81.9 | 156.5 | -172.3 | 32.8 | -35.8 | 0 | 0 | 0 | 113.6 | | |
| 151 | S | 28.9 | Very low | 28.5 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | | | trans | -67.1 | 132.1 | 174 | 180 | 0 | 0 | 0 | 0 | 112.3 | | |
| 152 | G | 27.2 | Very low | 28.6 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | | | trans | -174.5 | 121.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 153 | K | 29.2 | Very low | 28.2 | Very low | 212 Ų | 212 | 139 Ų | 139 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | -7.1 | 126.4 | 158.5 | -53.4 | 162.7 | -175.5 | 175.3 | 0 | 114.7 | | |
| 154 | G | 26.4 | Very low | 28 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | | | cis | 93.9 | 91.7 | 23.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 155 | I | 29 | Very low | 27.9 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | | | trans | -152.9 | 157.3 | 162.5 | 31.3 | 172.4 | 0 | 0 | 0 | 108.9 | | |
| 156 | S | 29.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | | | trans | -94.8 | 156.6 | -179.4 | 49.6 | 0 | 0 | 0 | 0 | 113 | | |
| 157 | S | 29.1 | Very low | 27.6 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -144.1 | 142.6 | 147 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 158 | Q | 27.9 | Very low | 27.6 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | | | trans | -122 | 165.3 | 170 | -64.2 | -179.8 | -82 | 0 | 0 | 107.6 | | |
| 159 | Y | 23.6 | Very low | 27.4 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | | | trans | 71 | 114.4 | 168.5 | -55.9 | -63 | 0 | 0 | 0 | 113.6 | | |
| 160 | S | 25.8 | Very low | 27.2 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | | 93.4 | 149.7 | 69.8 | -78.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 161 | N | 25.6 | Very low | 26.8 | Very low | 135 Ų | 135 | 149 Ų | 149 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | cis | -155.1 | 165.1 | 2.8 | -111 | -2.2 | 0 | 0 | 0 | 110.6 | | |
| 162 | T | 26.5 | Very low | 26.7 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | | | trans | 35.1 | 117 | 147 | -42.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 163 | E | 27.1 | Very low | 26.9 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | | | trans | -102.4 | 126.6 | 155 | -69.9 | -169.4 | 158.5 | 0 | 0 | 110.8 | | |
| 164 | E | 25.8 | Very low | 26.8 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -116.8 | 162.4 | 167.5 | -167.2 | 170.4 | -159.2 | 0 | 0 | 110.4 | | |
| 165 | R | 26.6 | Very low | 26.9 | Very low | 224 Ų | 224 | 154 Ų | 154 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | -67.9 | 130 | -161 | -56.6 | 152.7 | 80.1 | -167.1 | 9.2 | 113.8 | | |
| 166 | L | 26 | Very low | 26.7 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -118.3 | 111.8 | 152.9 | -70.1 | 169.5 | 0 | 0 | 0 | 107.8 | | |
| 167 | W | 26 | Very low | 26.6 | Very low | 230 Ų | 230 | 150.3 Ų | 150.3 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | | | | 58.6 | 101.7 | 86 | -92.7 | 77.3 | 0 | 0 | 0 | 113.9 | | |
| 168 | V | 26.8 | Very low | 26.6 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | | | trans | -89.9 | 131.2 | 168.5 | 170.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 169 | H | 24.9 | Very low | 26.5 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | trans | -178.8 | 143.4 | 136 | -103.2 | -69.9 | 0 | 0 | 0 | 111.5 | | |
| 170 | G | 23.9 | Very low | 26.7 | Very low | 63 Ų | 63 | 143.4 Ų | 143.4 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | 115.5 | 100 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 171 | L | 28.2 | Very low | 26.8 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | 53.1 | 109.2 | 136.6 | -54.5 | 174.2 | 0 | 0 | 0 | 119.6 | | |
| 172 | S | 26.1 | Very low | 26.9 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | | -148.6 | 147.2 | 114.1 | -161.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 173 | K | 31.5 | Very low | 27 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -84.4 | -177.1 | 155.7 | -54.9 | 179.7 | -174.2 | 175 | 0 | 106.9 | | |
| 174 | E | 26.9 | Very low | 27 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | | | cis | -170.6 | 141.2 | 21.8 | -160.7 | 131.7 | -128.8 | 0 | 0 | 108.5 | | |
| 175 | Q | 27.7 | Very low | 27.2 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | | | trans | 59.5 | 154.6 | 157.8 | -68 | 168.6 | 36.7 | 0 | 0 | 117.5 | | |
| 176 | T | 25 | Very low | 27.5 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 69% | 0.693 | 79% | 0.794 | S | S | * | * | | | cis | -148.4 | 137.4 | 6.3 | -4.3 | 0 | 0 | 0 | 0 | 106 | | |
| 177 | S | 27.8 | Very low | 27.7 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | | 49.2 | 132 | 96.7 | -41.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 178 | V | 28.2 | Very low | 27.8 | Very low | 135 Ų | 135 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | cis | -149.8 | 148 | 18.6 | -161.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 179 | S | 27.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | | 164.4 | 161 | 81.8 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 180 | G | 26.9 | Very low | 27.9 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | 73.1 | 120.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 181 | A | 27.9 | Very low | 28.1 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | cis | 61.8 | 125 | 29.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 182 | Q | 28.3 | Very low | 28 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | cis | -166.1 | 157.3 | -4.1 | -145.6 | -174.2 | -137.8 | 0 | 0 | 112.5 | | |
| 183 | K | 28.5 | Very low | 28 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | 67.6 | 80.3 | 142.5 | -152.4 | 166.1 | -175.4 | 173.3 | 0 | 119.4 | | |
| 184 | G | 27.4 | Very low | 27.7 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | trans | -66.2 | -145.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 185 | R | 30.1 | Very low | 27.7 | Very low | 260 Ų | 260 | 138 Ų | 138 | 98% | 0.981 | 81% | 0.806 | S | S | * | * | | | trans | -151 | -179.8 | 168.4 | -110.1 | 169.3 | -175.9 | -173.2 | -0.2 | 111.1 | | |
| 186 | K | 32.7 | Very low | 27.6 | Very low | 194 Ų | 194 | 137 Ų | 137 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -98 | 171.1 | -154.9 | -68.1 | -173.3 | 171.9 | -174 | 0 | 115.6 | | |
| 187 | Q | 30.1 | Very low | 27.6 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | | | trans | 82.1 | 134.8 | 165.6 | -59.9 | 170.5 | -47.6 | 0 | 0 | 115.3 | | |
| 188 | G | 27 | Very low | 27.7 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | cis | 171.1 | 160.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 189 | G | 26.4 | Very low | 27.8 | Very low | 86 Ų | 86 | 145 Ų | 145 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | | | trans | 104 | 111.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 190 | S | 28.4 | Very low | 27.8 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | trans | -95.9 | 148.9 | 179.2 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 191 | Q | 28.2 | Very low | 27.9 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | | | trans | -78.8 | 159.7 | 163.6 | -55.2 | 169.2 | -79.7 | 0 | 0 | 110.3 | | |
| 192 | S | 25.5 | Very low | 28 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | 59.1 | 157.4 | 151.3 | -76.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 193 | S | 26.3 | Very low | 28.1 | Very low | 97 Ų | 97 | 148.3 Ų | 148.3 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | cis | -164.2 | 176 | -19.7 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 194 | Y | 25.6 | Very low | 28.2 | Very low | 219 Ų | 219 | 145.1 Ų | 145.1 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -34.8 | 156.7 | 159.8 | -44.1 | -83.2 | 0 | 0 | 0 | 114.7 | | |
| 195 | V | 25.5 | Very low | 28.3 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | | | cis | -167.1 | 167 | 16.7 | 83.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 196 | L | 26.1 | Very low | 28.2 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | 49.2 | 136.6 | 159.7 | -56.5 | 173 | 0 | 0 | 0 | 118.5 | | |
| 197 | Q | 24.9 | Very low | 28.1 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | | -159.3 | 171.1 | 60 | -85.4 | -175.9 | -20.1 | 0 | 0 | 112.8 | | |
| 198 | T | 29.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | | | trans | -90 | 137 | 176.1 | -39.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 199 | E | 31 | Very low | 28.6 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | | | trans | -138.7 | 154.7 | 163.7 | -161.9 | 160.3 | -138.3 | 0 | 0 | 111.2 | | |
| 200 | E | 27.4 | Very low | 28.8 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | trans | -99.6 | 143 | -166.7 | 177.8 | -176.7 | 174.7 | 0 | 0 | 111.8 | V202 | E200-V202 HydrophobicContact CG-CG2 4.42Š|
| 201 | L | 29.5 | Very low | 29.1 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | | | trans | -147.9 | 130.6 | 156.3 | -147.7 | 80.9 | 0 | 0 | 0 | 112.1 | | |
| 202 | V | 30.1 | Very low | 29.2 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | | | trans | -127.5 | 134.3 | -177.4 | 168 | 0 | 0 | 0 | 0 | 110.6 | E200 | E200-V202 HydrophobicContact CG-CG2 4.42Š|
| 203 | A | 30.4 | Very low | 29.6 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | | | trans | 71 | 165.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 204 | N | 29.1 | Very low | 30 | Very low | 120 Ų | 120 | 152 Ų | 152 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | | | cis | -157.7 | 145.4 | 10.2 | -145.2 | -23.6 | 0 | 0 | 0 | 113.5 | | |
| 205 | K | 30.3 | Very low | 30.4 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 74% | 0.735 | 77% | 0.77 | S | S | * | * | | | trans | 64.9 | 165.9 | 159.7 | -72.2 | 147.8 | -171.3 | 173.7 | 0 | 116.6 | | |
| 206 | Q | 29 | Very low | 30.8 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | cis | -157.1 | 140.9 | 23.6 | -162.5 | 155.7 | -57 | 0 | 0 | 115.8 | | |
| 207 | Q | 29.6 | Very low | 31.1 | Very low | 143 Ų | 143 | 156 Ų | 156 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | | | trans | 66 | 128.6 | 150 | -78.6 | 169.5 | -18.8 | 0 | 0 | 120.3 | | |
| 208 | R | 32.3 | Very low | 31.4 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | | 81.6 | 143.4 | 74 | -98.3 | -176.5 | 157.5 | 177.6 | -16.9 | 113.5 | | |
| 209 | E | 35.2 | Very low | 31.5 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 58% | 0.575 | 77% | 0.768 | S | S | * | * | | | cis | -167.6 | 162.8 | 2.2 | -149.5 | 158.5 | -151.7 | 0 | 0 | 113.2 | | |
| 210 | T | 31.9 | Very low | 31.6 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | 69.8 | 156.5 | 164.6 | 75.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 211 | K | 34.2 | Very low | 32 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | | | cis | -143.8 | 167.9 | 22.7 | -71.8 | -179.6 | 177.9 | 174.9 | 0 | 115.2 | | |
| 212 | N | 30.4 | Very low | 32 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | | | trans | -47.7 | 154 | 176 | -45.2 | -22.8 | 0 | 0 | 0 | 117.9 | | |
| 213 | S | 32.9 | Very low | 32.2 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | | -166.7 | 163.6 | 101.5 | -158.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 214 | H | 34.9 | Very low | 32.3 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | trans | -89.8 | 152.3 | 175.8 | -75.4 | -28.3 | 0 | 0 | 0 | 112.8 | | |
| 215 | Q | 33.4 | Very low | 32.5 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 95% | 0.949 | 76% | 0.76 | S | S | * | * | | | | -157.2 | 146.7 | 114 | -108 | 175.1 | 16.1 | 0 | 0 | 111.5 | | |
| 216 | N | 33.7 | Very low | 32.9 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | -158.6 | 125 | -179.2 | -178.7 | 4.3 | 0 | 0 | 0 | 109.7 | | |
| 217 | K | 33.5 | Very low | 33.3 | Very low | 206 Ų | 206 | 153.6 Ų | 153.6 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | | | trans | 165.1 | 154.5 | 165 | -94.3 | 155.3 | -174.4 | -177.7 | 0 | 107.8 | | |
| 218 | G | 30.1 | Very low | 33.7 | Very low | 75 Ų | 75 | 154.2 Ų | 154.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | cis | -132.3 | -162.5 | 4.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 219 | H | 33 | Very low | 33.7 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | | | trans | -147.2 | 179.2 | -166.4 | -171.6 | 62.8 | 0 | 0 | 0 | 111.1 | | |
| 220 | Y | 33 | Very low | 33.7 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | 74.8 | 132.1 | -173.1 | -47.1 | -73.4 | 0 | 0 | 0 | 113.6 | | |
| 221 | Q | 35 | Very low | 33.7 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | | | cis | 78.8 | 135.7 | 25.9 | -146.4 | 136.1 | 21.8 | 0 | 0 | 111.7 | | |
| 222 | N | 31.2 | Very low | 33.9 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | cis | -160.6 | -169.7 | 22.4 | -155.9 | -2 | 0 | 0 | 0 | 112.5 | | |
| 223 | V | 32.3 | Very low | 34.2 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | 93.1 | 99.4 | 157.4 | -164.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 224 | V | 34.2 | Very low | 34.2 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | | 29 | 125.4 | 124.9 | -175 | 0 | 0 | 0 | 0 | 121.7 | | |
| 225 | E | 33.4 | Very low | 34.1 | Very low | 143 Ų | 143 | 153.4 Ų | 153.4 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | | | | -142.6 | 149.3 | 121.9 | -156.5 | -179.4 | 153.8 | 0 | 0 | 110.1 | R227 | E225-R227 IonicContact OE1-CZ 2.72Å; E225-R227 IonicContact OE1-NE 3.38Å; E225-R227 PolarHBondContact OE1-NE 3.45Å; E225-R227 IonicContact OE1-NH2 2.78Å; E225-R227 PolarHBondContact OE1-NH2 3.5Å |
| 226 | V | 37.5 | Very low | 34 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -115 | 126.1 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 227 | R | 38 | Very low | 33.9 | Very low | 217 Ų | 217 | 148.4 Ų | 148.4 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | | | trans | -137.6 | 105.3 | 163.9 | -67.8 | -167.6 | -176.4 | -113.5 | -7.3 | 112.1 | E225 | E225-R227 IonicContact OE1-CZ 2.72Å; E225-R227 IonicContact OE1-NE 3.38Å; E225-R227 PolarHBondContact OE1-NE 3.45Å; E225-R227 IonicContact OE1-NH2 2.78Å; E225-R227 PolarHBondContact OE1-NH2 3.5Å |
| 228 | E | 38.1 | Very low | 33.9 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | | | trans | -68.7 | 142.5 | 153.9 | 168 | 177.3 | -137 | 0 | 0 | 109.4 | | |
| 229 | E | 32.8 | Very low | 34.2 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -172.1 | 173.7 | 140 | -112.5 | -178.9 | -125.9 | 0 | 0 | 112.1 | | |
| 230 | H | 33.3 | Very low | 34.8 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -116.6 | 173.7 | -161.6 | -56 | -93 | 0 | 0 | 0 | 114 | | |
| 231 | S | 33.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | | 125.6 | 132.6 | 124.2 | -154.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 232 | S | 39.1 | Very low | 34.3 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | -59.4 | 157.5 | -177.9 | 51.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 233 | K | 36.4 | Very low | 34.4 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | -142.8 | 92.8 | 147.8 | -135.8 | 165.3 | -174.3 | 173.8 | 0 | 109.1 | | |
| 234 | V | 32.1 | Very low | 34.4 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | | 65.6 | 104.7 | 97.4 | 175.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 235 | Q | 33 | Very low | 34.3 | Very low | 197 Ų | 197 | 147.9 Ų | 147.9 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | -154.1 | 101.6 | 130.6 | -115.8 | -178.3 | 10.3 | 0 | 0 | 110.3 | | |
| 236 | T | 31.7 | Very low | 34.5 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -104.6 | 126.8 | 164.3 | 27.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 237 | S | 31.9 | Very low | 34.5 | Very low | 123 Ų | 123 | 151 Ų | 151 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 140 | 162.5 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 238 | L | 32.5 | Very low | 34.2 | Very low | 167 Ų | 167 | 149 Ų | 149 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 140.4 | -170.9 | -68.8 | 162.7 | 0 | 0 | 0 | 111.4 | | |
| 239 | C | 36.7 | Very low | 33.8 | Very low | 119 Ų | 119 | 145 Ų | 145 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 170.5 | 154.9 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 240 | P | 44.5 | Very low | 34.2 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | cis | -143.4 | -170.6 | 19 | 43.8 | -24.4 | 0 | 0 | 0 | 116 | | |
| 241 | A | 28.9 | Very low | 34.3 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -136.2 | 151.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 242 | H | 29.7 | Very low | 34.3 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -75.2 | 140.7 | -179.6 | -112.7 | 38.8 | 0 | 0 | 0 | 111.6 | | |
| 243 | Q | 34 | Very low | 34 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 67% | 0.673 | 81% | 0.811 | S | S | * | * | | | | 40.9 | 117.2 | 106.5 | -58.5 | -169.6 | 28.1 | 0 | 0 | 114.9 | | |
| 244 | D | 30.7 | Very low | 33.8 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | | -138.5 | 155.8 | 120.2 | -140.3 | -24.6 | 0 | 0 | 0 | 110.4 | | |
| 245 | K | 33.5 | Very low | 33.7 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | | | trans | -109.1 | 141 | 175 | -67.5 | 174.7 | -177.9 | 170.9 | 0 | 108.7 | | |
| 246 | L | 36.6 | Very low | 33.7 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | trans | -161.9 | 165 | 135.2 | -109.1 | 165.3 | 0 | 0 | 0 | 111.1 | | |
| 247 | Q | 38.1 | Very low | 33.9 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -106.9 | 177.8 | -174.2 | -64.3 | 177.6 | -6.6 | 0 | 0 | 111.4 | | |
| 248 | H | 32.3 | Very low | 33.9 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | 94 | 142.6 | 163.2 | -50.1 | -69.5 | 0 | 0 | 0 | 118.4 | | |
| 249 | G | 29.8 | Very low | 33.9 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | 108 | 66.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | K251 | G249-K251 PolarHBondContact O-N 3.1Š|
| 250 | S | 40.7 | Very low | 33.9 | Very low | 127 Ų | 127 | 146 Ų | 146 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -60.7 | 129.6 | 157.4 | -48.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 251 | K | 35.5 | Very low | 33.5 | Very low | 200 Ų | 200 | 146.9 Ų | 146.9 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | | | trans | -161.4 | 124.3 | 165.7 | -113.3 | 168.7 | -174.7 | 178.9 | 0 | 111.2 | G249 | G249-K251 PolarHBondContact O-N 3.1Š|
| 252 | D | 31.8 | Very low | 34.2 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -73 | 156.8 | 173.3 | -52.1 | -82.8 | 0 | 0 | 0 | 112.2 | F254 | D252-F254 HydrophobicContact CB-CE2 4.23Š|
| 253 | I | 34.5 | Very low | 34.1 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | -131 | 132.4 | 158.9 | -62.3 | -176.7 | 0 | 0 | 0 | 107.7 | | |
| 254 | F | 32 | Very low | 33.9 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | | | trans | -95.5 | 151.1 | -166.1 | -77.7 | -110.7 | 0 | 0 | 0 | 114.1 | D252 | D252-F254 HydrophobicContact CB-CE2 4.23Š|
| 255 | S | 28.9 | Very low | 33.8 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -159.8 | 147.6 | 132.5 | -82 | 0 | 0 | 0 | 0 | 108.8 | | |
| 256 | T | 33.3 | Very low | 33.9 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | S | Bend | cis | -145.2 | 144.5 | 17.4 | -19.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 257 | Q | 35.9 | Very low | 33.6 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | 60.6 | 115.7 | 158.6 | -72.8 | 144 | -10.9 | 0 | 0 | 118.1 | | |
| 258 | D | 31.3 | Very low | 33.4 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | | 80.7 | 133.8 | 58.7 | -67.3 | -42.7 | 0 | 0 | 0 | 112.5 | | |
| 259 | E | 34.3 | Very low | 33.4 | Very low | 161 Ų | 161 | 151 Ų | 151 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | cis | -133.1 | 145.9 | 12.1 | -78.3 | -166.9 | 102.4 | 0 | 0 | 113.9 | | |
| 260 | L | 36.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | | 44.1 | 150 | 127 | -49.1 | -177.9 | 0 | 0 | 0 | 121.4 | | |
| 261 | L | 36.3 | Very low | 33.1 | Very low | 141 Ų | 141 | 155.8 Ų | 155.8 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | cis | -159 | 160 | 3.7 | -127.9 | 166.2 | 0 | 0 | 0 | 110.8 | | |
| 262 | V | 42.3 | Very low | 32.9 | Very low | 131 Ų | 131 | 153.6 Ų | 153.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | -120.3 | 120.8 | 172.5 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 263 | Y | 29 | Very low | 32.9 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | -157 | 113 | 162.1 | -118.2 | -94.3 | 0 | 0 | 0 | 107.9 | | |
| 264 | N | 28.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | | 67 | 95.8 | 70.4 | -179.9 | 18.7 | 0 | 0 | 0 | 115.1 | | |
| 265 | K | 29.3 | Very low | 32.8 | Very low | 192 Ų | 192 | 151 Ų | 151 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | | -174.7 | 151.7 | 122.3 | -103 | 169.9 | -176.9 | 177.1 | 0 | 113.1 | | |
| 266 | N | 34.5 | Very low | 33.1 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | trans | -80.9 | 143.8 | 172.8 | -59.9 | -46.4 | 0 | 0 | 0 | 111.6 | | |
| 267 | Q | 31.4 | Very low | 33.2 | Very low | 192 Ų | 192 | 153 Ų | 153 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | | | trans | -159.2 | 167 | 141.5 | -113.5 | 166.7 | 21.4 | 0 | 0 | 111.5 | | |
| 268 | H | 33 | Very low | 33.1 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | trans | -105.9 | 169.4 | -162.6 | -55.6 | -105 | 0 | 0 | 0 | 114 | | |
| 269 | Q | 31.8 | Very low | 33.1 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | | | trans | 71.4 | 154.3 | 158 | -62.7 | 172.3 | 14.3 | 0 | 0 | 116.1 | | |
| 270 | T | 30.8 | Very low | 33 | Very low | 104 Ų | 104 | 149 Ų | 149 | 64% | 0.638 | 76% | 0.755 | S | S | * | * | | | cis | -162.7 | 175.8 | -17 | 32.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 271 | K | 33.4 | Very low | 32.8 | Very low | 196 Ų | 196 | 153 Ų | 153 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | | | trans | 85.9 | 138.7 | 156.4 | -70.9 | 159.7 | -176.9 | 175.1 | 0 | 118.6 | | |
| 272 | N | 32.2 | Very low | 32.8 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -78.1 | 150.2 | 172.3 | -46.6 | -76.5 | 0 | 0 | 0 | 111.8 | | |
| 273 | L | 31.9 | Very low | 32.2 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -160.3 | 117.1 | 130.5 | -92.2 | 131.6 | 0 | 0 | 0 | 105.1 | | |
| 274 | N | 31.1 | Very low | 32.2 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | | | | 75.8 | 123.4 | 54 | -153.1 | 46.8 | 0 | 0 | 0 | 112.4 | | |
| 275 | Q | 33.5 | Very low | 32.2 | Very low | 153 Ų | 153 | 154 Ų | 154 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | | | trans | 69 | 155.2 | 165.1 | -64.4 | 179 | -93.8 | 0 | 0 | 116.8 | | |
| 276 | D | 34.9 | Very low | 32.2 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 58% | 0.578 | 76% | 0.763 | S | S | * | * | | | cis | -157.2 | 178.4 | -8.3 | -134.7 | -55.2 | 0 | 0 | 0 | 110.5 | | |
| 277 | Q | 34.9 | Very low | 31.7 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | | | trans | 64.1 | 157.2 | 147.5 | -75.2 | 165.2 | 31.3 | 0 | 0 | 120.9 | | |
| 278 | Q | 33.4 | Very low | 31.5 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | cis | -155.7 | 161.9 | -35.2 | -125.7 | -176 | 30.1 | 0 | 0 | 112.5 | | |
| 279 | H | 32.5 | Very low | 31 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | | | trans | -1.5 | 132.8 | 163.1 | -53.9 | -36.7 | 0 | 0 | 0 | 122.8 | | |
| 280 | G | 31.9 | Very low | 30.7 | Very low | 89 Ų | 89 | 144 Ų | 144 | 92% | 0.918 | 74% | 0.74 | S | S | * | * | | | trans | -125.3 | 95.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 281 | R | 31.8 | Very low | 30.5 | Very low | 215 Ų | 215 | 143.7 Ų | 143.7 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | | | trans | -96.9 | 141.4 | 177.1 | -75.2 | -172 | 178.1 | -148.1 | 4 | 112 | | |
| 282 | K | 36 | Very low | 30 | Very low | 209 Ų | 209 | 139.2 Ų | 139.2 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | | | trans | 158.2 | 153.1 | 134 | -88.7 | 164.7 | 178 | 179.5 | 0 | 110.6 | | |
| 283 | A | 29.3 | Very low | 29.7 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 55% | 0.554 | 73% | 0.728 | S | S | * | * | | | cis | -174.2 | 176.7 | -21.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 284 | N | 30.2 | Very low | 29.5 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | trans | 78.7 | 147.9 | 166.1 | -39.2 | -51.8 | 0 | 0 | 0 | 115.9 | | |
| 285 | K | 29.5 | Very low | 29.6 | Very low | 185 Ų | 185 | 138.7 Ų | 138.7 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | cis | -174.5 | 138.5 | -20.6 | -109.3 | -175.9 | 179.7 | 180 | 0 | 105.1 | | |
| 286 | T | 28.7 | Very low | 29.4 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | cis | -147.2 | -144.1 | -10.8 | -25.3 | 0 | 0 | 0 | 0 | 105.2 | | |
| 287 | S | 24.6 | Very low | 29 | Very low | 82 Ų | 82 | 145.8 Ų | 145.8 | 57% | 0.573 | 74% | 0.74 | S | S | * | * | | | cis | -163.8 | 132.1 | -6.7 | -125 | 0 | 0 | 0 | 0 | 109 | | |
| 288 | Y | 26.7 | Very low | 28.6 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | | | trans | 59.5 | 143 | 155.9 | -71.6 | -124.9 | 0 | 0 | 0 | 117.8 | | |
| 289 | Q | 22.4 | Very low | 28.3 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | cis | -153.1 | 152.7 | -9.5 | -124.4 | 174.4 | -27 | 0 | 0 | 105.5 | | |
| 290 | S | 24.4 | Very low | 28.1 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | | -164.9 | 171.8 | 59.3 | -69.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 291 | S | 27.1 | Very low | 27.7 | Very low | 97 Ų | 97 | 148.7 Ų | 148.7 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | trans | -13.3 | 140.7 | 162.6 | 56.5 | 0 | 0 | 0 | 0 | 119 | | |
| 292 | S | 23 | Very low | 27.5 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | cis | 66.3 | 148.6 | 42.7 | 97.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 293 | T | 26.3 | Very low | 27.3 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | cis | -156 | 158.5 | 2.3 | -18.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 294 | E | 28.4 | Very low | 27.4 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | 58.3 | 137.2 | 148.3 | -86.7 | 173.6 | 116.5 | 0 | 0 | 124.9 | R296 | E294-R296 IonicContact OE1-NH1 3.61Š|
| 295 | E | 31.6 | Very low | 27.3 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | trans | -87 | 133.7 | 161.5 | 172.1 | -149.2 | 157.2 | 0 | 0 | 110.5 | | |
| 296 | R | 29 | Very low | 27.2 | Very low | 207 Ų | 207 | 143.8 Ų | 143.8 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | 166.6 | 164.5 | 147.9 | -92.1 | 147.2 | -174.4 | 164.7 | -0.4 | 110.9 | E294 | E294-R296 IonicContact OE1-NH1 3.61Š|
| 297 | R | 28.4 | Very low | 27.3 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | cis | 177.5 | 157.5 | -34.5 | -157 | -178.3 | -162.3 | -165.2 | 6.7 | 107 | | |
| 298 | L | 25.9 | Very low | 27.3 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 67% | 0.665 | 77% | 0.767 | S | S | * | * | | | trans | 86.2 | 106.8 | 160.5 | -48.2 | 179.6 | 0 | 0 | 0 | 121.5 | | |
| 299 | H | 27.7 | Very low | 27.4 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | | 67.2 | 149.3 | 126.9 | -58.9 | -58.7 | 0 | 0 | 0 | 125.8 | | |
| 300 | Y | 28 | Very low | 27.6 | Very low | 232 Ų | 232 | 144.6 Ų | 144.6 | 91% | 0.91 | 77% | 0.771 | S | S | * | * | | | trans | 63.9 | 143.7 | 172.6 | -69.8 | -85.5 | 0 | 0 | 0 | 118.1 | | |
| 301 | G | 23.6 | Very low | 27.7 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | cis | 146 | 70.4 | -14.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 302 | E | 27 | Very low | 27.5 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | trans | -147.1 | 160.5 | 162.9 | -155.3 | 166.2 | 169.3 | 0 | 0 | 111.7 | | |
| 303 | N | 30.7 | Very low | 27.4 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -101.7 | 117.9 | -153.3 | -66 | -65.7 | 0 | 0 | 0 | 115.7 | V305 | N303-V305 PolarHBondContact O-N 3.46Š|
| 304 | G | 31.8 | Very low | 27.3 | Very low | 81 Ų | 81 | 152.1 Ų | 152.1 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -93.6 | 73.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 305 | V | 29.1 | Very low | 27 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | | | trans | 39.4 | 100.5 | 152.9 | -177.1 | 0 | 0 | 0 | 0 | 118.5 | N303 | N303-V305 PolarHBondContact O-N 3.46Š|
| 306 | Q | 26.5 | Very low | 26.6 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | 72.6 | 80.3 | 130.8 | -162.8 | -177.2 | 11.6 | 0 | 0 | 120.5 | | |
| 307 | K | 31 | Very low | 26.3 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | | 177.8 | 135.3 | 111.1 | -102.7 | 172.4 | -178.5 | 179.2 | 0 | 114.8 | | |
| 308 | D | 25.7 | Very low | 26.1 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -60.2 | 158.7 | 156.4 | -66.3 | -73.9 | 0 | 0 | 0 | 111.3 | | |
| 309 | V | 27.2 | Very low | 26.6 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | | | cis | -136.5 | 150.6 | 37.3 | 171.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 310 | S | 27.1 | Very low | 26.5 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -69.6 | 174.2 | -175.9 | -61.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 311 | Q | 26.3 | Very low | 27 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -66.4 | 159.2 | 179.5 | -59 | 172.6 | -19.8 | 0 | 0 | 114.9 | | |
| 312 | S | 22.2 | Very low | 27.2 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | 58.7 | 127.7 | 145.2 | 65.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 313 | S | 22.6 | Very low | 27.1 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | | | | -171.3 | 166.8 | 115 | 37.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 314 | I | 24.2 | Very low | 26.8 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | | | trans | -91.1 | 134.1 | -176.3 | -55.4 | 158.7 | 0 | 0 | 0 | 109.3 | | |
| 315 | Y | 21.8 | Very low | 26.7 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | | -173.6 | 163 | 123.7 | -141.7 | -108.5 | 0 | 0 | 0 | 114.7 | | |
| 316 | S | 23.2 | Very low | 26.8 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | | | trans | -76 | 151.6 | 176 | -38.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 317 | Q | 21.8 | Very low | 26.7 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | | 175 | 147.8 | 121.3 | -98.1 | 160.1 | 84.1 | 0 | 0 | 116 | | |
| 318 | T | 24.5 | Very low | 26.7 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | 48.7 | 127.8 | 138.4 | -45.9 | 0 | 0 | 0 | 0 | 122 | | |
| 319 | E | 36.8 | Very low | 26.7 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -80.4 | 121.9 | 161 | 178.8 | -168.8 | 169.9 | 0 | 0 | 110.8 | | |
| 320 | E | 25.7 | Very low | 26.6 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | -147.6 | 173 | 161.5 | -136.2 | -156.6 | 129.2 | 0 | 0 | 113.1 | | |
| 321 | K | 37.4 | Very low | 26.4 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -116.5 | 133.3 | -158.3 | -59.8 | 170.4 | -177.1 | 168.5 | 0 | 114.6 | | |
| 322 | A | 27.9 | Very low | 27 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -152.6 | 124.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 323 | H | 25.1 | Very low | 27.2 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | cis | 87.5 | 106.5 | 34.6 | -156.7 | 72.6 | 0 | 0 | 0 | 114.1 | | |
| 324 | G | 25 | Very low | 27.3 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | 156.4 | 74.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 325 | K | 30.1 | Very low | 27.4 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | | 79.7 | 100.9 | 85.4 | -76.4 | -173.5 | 177.2 | 179.9 | 0 | 115.8 | | |
| 326 | S | 30 | Very low | 27.5 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | | | trans | 177 | 103.1 | 143.4 | -79.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 327 | Q | 26.3 | Very low | 27.6 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | cis | 93.7 | 91.9 | 36.8 | -168.3 | 175.3 | -14.2 | 0 | 0 | 114.9 | | |
| 328 | K | 31 | Very low | 27.9 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | | | trans | -177.2 | 109.9 | 144.8 | -98 | 164.7 | -176.8 | -177.8 | 0 | 105.3 | | |
| 329 | Q | 25.2 | Very low | 28.1 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | | 60.3 | 131.5 | 56.3 | -64.7 | -171 | -41.9 | 0 | 0 | 113.2 | | |
| 330 | I | 23.8 | Very low | 27.7 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | cis | -156.3 | 173 | -4 | -124.3 | 163.8 | 0 | 0 | 0 | 112.3 | | |
| 331 | T | 24.4 | Very low | 27.8 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | trans | -36.2 | 159.2 | 178 | -46.4 | 0 | 0 | 0 | 0 | 121 | | |
| 332 | T | 38.4 | Very low | 27.5 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | trans | -53.9 | 162.1 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 119 | | |
| 333 | P | 26.8 | Very low | 27.4 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | | -125.7 | -167.3 | 121.2 | 39.7 | -33.3 | 0 | 0 | 0 | 113.8 | | |
| 334 | S | 24.5 | Very low | 27.4 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | trans | -121.4 | -176.7 | -171 | -166.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 335 | Q | 25.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | | | trans | 71.8 | 149.6 | 172.2 | -62.5 | 177.5 | -82.8 | 0 | 0 | 115.3 | | |
| 336 | E | 24.7 | Very low | 27.3 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | cis | -160.4 | -173.3 | -10.3 | -125.9 | 163.2 | -143.1 | 0 | 0 | 112.2 | | |
| 337 | Q | 25.3 | Very low | 27 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | trans | 75.8 | 146.4 | 158.9 | -153.5 | 174.6 | 9.3 | 0 | 0 | 118 | | |
| 338 | E | 28.5 | Very low | 26.9 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | | | | 172.6 | 136.7 | -53.6 | 178.4 | -173.1 | -174 | 0 | 0 | 106.6 | | |
| 339 | H | 27.6 | Very low | 26.4 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 68% | 0.676 | 76% | 0.755 | S | S | * | * | | | trans | 150.1 | 139.7 | 145.1 | -77.5 | -30.6 | 0 | 0 | 0 | 110.5 | | |
| 340 | S | 28.3 | Very low | 26.2 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | | | cis | -157.2 | 135.8 | -8 | -108.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 341 | Q | 28.3 | Very low | 26.2 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | 49.2 | 115.5 | 137.5 | -54.6 | 178.7 | 14.4 | 0 | 0 | 121.9 | | |
| 342 | K | 30.2 | Very low | 26.2 | Very low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | | -169.6 | 96.1 | 112.5 | -152.7 | 166.7 | -175.8 | 175.9 | 0 | 109.5 | | |
| 343 | A | 26.2 | Very low | 25.6 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | | 61.1 | 124.3 | 88.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 344 | N | 24.7 | Very low | 25.6 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | cis | -159.7 | 150.6 | 8.4 | -95.3 | -29.9 | 0 | 0 | 0 | 113.8 | | |
| 345 | K | 27.3 | Very low | 25.7 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | 46.6 | 108.3 | 138.9 | -64.4 | -175.5 | -179.5 | -177.2 | 0 | 120.1 | | |
| 346 | T | 26.5 | Very low | 25.7 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | | | | 70.7 | 123.5 | 75.7 | 62.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 347 | S | 24.5 | Very low | 25.7 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -157.2 | 155.2 | 131.8 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 348 | Y | 23.4 | Very low | 25.7 | Very low | 223 Ų | 223 | 146.5 Ų | 146.5 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | | | trans | -100.1 | -177.9 | 164.1 | -99.2 | -105.7 | 0 | 0 | 0 | 110 | | |
| 349 | Q | 21 | Very low | 25.8 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | 99.1 | 128 | 154.4 | -58 | -158.4 | -91.3 | 0 | 0 | 120.8 | | |
| 350 | S | 21.5 | Very low | 25.7 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | 67.7 | 113.1 | 133.9 | -57.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 351 | S | 23.6 | Very low | 25.6 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | 16.6 | 131.5 | 130.2 | 59.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 352 | S | 23.9 | Very low | 25.4 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | 60.8 | 162.6 | 148.7 | 65.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 353 | T | 25 | Very low | 25.4 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | cis | -150.1 | -173.5 | 22.7 | -39.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 354 | E | 27.2 | Very low | 25.4 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -54 | 153.6 | -174.9 | -55.8 | 156.1 | 86.2 | 0 | 0 | 118.5 | | |
| 355 | E | 26.5 | Very low | 25.5 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | | -179.2 | 148.1 | 127.8 | -97.3 | -143.2 | 82.2 | 0 | 0 | 110.1 | | |
| 356 | R | 25.5 | Very low | 25.4 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | | | cis | -166.2 | 164.6 | -16.8 | -147.3 | -159.8 | -145.3 | 128.2 | -2.4 | 110.8 | | |
| 357 | R | 24.6 | Very low | 25.5 | Very low | 207 Ų | 207 | 152.3 Ų | 152.3 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | 91.7 | 106.3 | 155.1 | -65.3 | 176.3 | 177.1 | 172.5 | 0.3 | 121.4 | | |
| 358 | L | 26.7 | Very low | 25.6 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | | | | 55.8 | 142.7 | 127.1 | -47.9 | 176.5 | 0 | 0 | 0 | 119.5 | | |
| 359 | H | 29.5 | Very low | 25.6 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | cis | -138.7 | 171.7 | 25.5 | -79.8 | -101.9 | 0 | 0 | 0 | 113.7 | | |
| 360 | Y | 25.6 | Very low | 25.8 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 89% | 0.886 | 77% | 0.772 | S | S | * | * | | | trans | -3.3 | 141.7 | 156 | -69.4 | -106.2 | 0 | 0 | 0 | 117.9 | | |
| 361 | G | 25.2 | Very low | 26 | Very low | 74 Ų | 74 | 148.3 Ų | 148.3 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | cis | 126.6 | 123 | 23.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 362 | E | 25.3 | Very low | 25.9 | Very low | 194 Ų | 194 | 149 Ų | 149 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | | -162.8 | 167.3 | 83.1 | -173.3 | 170.5 | 162.5 | 0 | 0 | 110.9 | | |
| 363 | N | 29.4 | Very low | 25.8 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | trans | -97.8 | 142.7 | -175 | -64.6 | -65.5 | 0 | 0 | 0 | 113.6 | | |
| 364 | G | 26.7 | Very low | 25.7 | Very low | 81 Ų | 81 | 149.6 Ų | 149.6 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | -141.4 | 99.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 365 | V | 27.1 | Very low | 25.5 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | -104.5 | 112.1 | 176 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 366 | Q | 25.1 | Very low | 25.2 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | trans | -154.6 | 151.5 | 151.6 | -140.3 | 162.7 | -31.1 | 0 | 0 | 113.4 | | |
| 367 | K | 28.1 | Very low | 25 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | trans | -70.4 | 152.6 | 161.4 | -50.7 | 171.1 | -176.2 | 172.7 | 0 | 107.2 | | |
| 368 | D | 26.4 | Very low | 25 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | | -171.9 | 171.2 | 67.3 | -122 | -23.6 | 0 | 0 | 0 | 114.6 | | |
| 369 | V | 24 | Very low | 25 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | trans | 28 | 141.5 | 143.1 | 170.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 370 | S | 25.9 | Very low | 24.8 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | 89.5 | 101 | 158.2 | -78.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 371 | Q | 23.8 | Very low | 24.8 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | | 30.3 | 130.7 | 121.7 | -61.7 | -171.9 | -5.1 | 0 | 0 | 120.2 | | |
| 372 | S | 21.6 | Very low | 24.9 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | 70.8 | 153.4 | 160.7 | 87.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 373 | S | 22.6 | Very low | 25 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | cis | -163.6 | 164.3 | -25.8 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 374 | I | 22.9 | Very low | 24.8 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | trans | 60.2 | -179.4 | 177.5 | -2 | -176.8 | 0 | 0 | 0 | 110.8 | | |
| 375 | Y | 22 | Very low | 24.8 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 56% | 0.561 | 75% | 0.753 | S | S | * | * | | | cis | -152.2 | 140.9 | 29.3 | -154.1 | -80.5 | 0 | 0 | 0 | 113.4 | Q377 | Y375-Q377 HydrophobicContact CD1-CB 4.38Å; Y375-Q377 HydrophobicContact CE1-CB 3.53Å; Y375-Q377 VanDerWaalsContact CE1-CD 3.45Å; Y375-Q377 HydrophobicContact CE1-CG 3.49Å; Y375-Q377 VanDerWaalsContact CE1-CG 3.49Å; Y375-Q377 WeakPolarHBondContact OH-CG 3.25Å; Y375-Q377 PolarHBondContact OH-NE2 3.11Å; Y375-Q377 VanDerWaalsContact OH-NE2 3.1Å |
| 376 | S | 21.8 | Very low | 24.7 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | | | trans | -144.2 | 105.5 | 161.1 | -68.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 377 | Q | 20.8 | Very low | 24.7 | Very low | 141 Ų | 141 | 139 Ų | 139 | 66% | 0.659 | 75% | 0.752 | S | S | * | * | | | trans | -99.3 | 129.5 | 165.3 | -109 | 147.6 | 0.6 | 0 | 0 | 107.9 | Y375 | Y375-Q377 HydrophobicContact CD1-CB 4.38Å; Y375-Q377 HydrophobicContact CE1-CB 3.53Å; Y375-Q377 VanDerWaalsContact CE1-CD 3.45Å; Y375-Q377 HydrophobicContact CE1-CG 3.49Å; Y375-Q377 VanDerWaalsContact CE1-CG 3.49Å; Y375-Q377 WeakPolarHBondContact OH-CG 3.25Å; Y375-Q377 PolarHBondContact OH-NE2 3.11Å; Y375-Q377 VanDerWaalsContact OH-NE2 3.1Å |
| 378 | T | 25.1 | Very low | 24.5 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -153.3 | 117.1 | 134.2 | -19.3 | 0 | 0 | 0 | 0 | 104.2 | | |
| 379 | E | 25.8 | Very low | 24.4 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | cis | -150.4 | -169.1 | 3.6 | -139 | 175.9 | 126.2 | 0 | 0 | 112.3 | | |
| 380 | E | 24.9 | Very low | 24.3 | Very low | 133 Ų | 133 | 143 Ų | 143 | 62% | 0.621 | 76% | 0.761 | S | S | * | * | | | trans | -57.5 | 170.3 | 172.6 | -60.6 | -165.9 | 136.5 | 0 | 0 | 114.1 | | |
| 381 | K | 27.1 | Very low | 24.1 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | | | cis | -160.6 | 169.5 | -1.7 | -119.8 | 159.3 | -164.7 | 153.3 | 0 | 105.2 | | |
| 382 | A | 27.3 | Very low | 24.2 | Very low | 79 Ų | 79 | 143 Ų | 143 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | | | cis | -153.8 | 174.5 | 19.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 383 | H | 26.9 | Very low | 24.8 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 91% | 0.912 | 76% | 0.761 | S | S | * | * | | | trans | 34 | 119.5 | 167.6 | -65.9 | -52.7 | 0 | 0 | 0 | 119.4 | | |
| 384 | G | 24.2 | Very low | 24.8 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | cis | 133.7 | 143 | 6.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 385 | K | 28.2 | Very low | 24.8 | Very low | 214 Ų | 214 | 143.9 Ų | 143.9 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | | | trans | 83 | 82.2 | -169.7 | -55.3 | 177.3 | 179.6 | 178.5 | 0 | 115.2 | | |
| 386 | S | 25 | Very low | 24.8 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | trans | -80.7 | 133.6 | 152.5 | -63.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 387 | Q | 23.9 | Very low | 24.9 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | -141 | 105.8 | 157.7 | -170.9 | 167 | -6.3 | 0 | 0 | 109.3 | | |
| 388 | K | 24.2 | Very low | 25 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -86.6 | 126.1 | 166.2 | -72 | -176.9 | 177.4 | -179.6 | 0 | 108 | | |
| 389 | Q | 23.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -137.1 | 139.1 | 157.5 | -168.1 | 163.9 | 1.5 | 0 | 0 | 108.4 | | |
| 390 | I | 22.8 | Very low | 25.2 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -100 | 126.3 | -175.6 | -61.7 | 168.8 | 0 | 0 | 0 | 108.3 | I392 | I390-I392 HydrophobicContact CG2-CD1 4.43Å; I390-I392 HydrophobicContact CG2-CG1 4.18Å |
| 391 | T | 22.3 | Very low | 25.3 | Very low | 132 Ų | 132 | 149 Ų | 149 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -146.4 | 139.3 | 160.4 | -54.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 392 | I | 24.8 | Very low | 25.3 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | | | trans | -145.6 | 153.1 | -178.8 | -25.4 | 173.8 | 0 | 0 | 0 | 106.9 | I390 | I390-I392 HydrophobicContact CG2-CD1 4.43Å; I390-I392 HydrophobicContact CG2-CG1 4.18Å |
| 393 | P | 34.3 | Very low | 25.2 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | | -121.8 | 170.7 | -56.1 | 37.5 | -25.9 | 0 | 0 | 0 | 111.9 | | |
| 394 | S | 22.3 | Very low | 25.2 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -167.6 | 145.1 | 151.7 | -161 | 0 | 0 | 0 | 0 | 107.1 | | |
| 395 | Q | 23.5 | Very low | 25.3 | Very low | 143 Ų | 143 | 156 Ų | 156 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | | | cis | -177.8 | 143.2 | -21.3 | 167.7 | 174 | -28.3 | 0 | 0 | 103.3 | | |
| 396 | E | 22.1 | Very low | 25.1 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | trans | 63 | 157.9 | 179.9 | -73 | 144.8 | -138.7 | 0 | 0 | 115.1 | | |
| 397 | Q | 24.1 | Very low | 25 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | cis | -159.4 | 166.1 | -23.7 | 172.1 | 161.8 | -35.3 | 0 | 0 | 109.1 | | |
| 398 | E | 24 | Very low | 25 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | 65.4 | 92.1 | 161.4 | -88 | 158.7 | -136.3 | 0 | 0 | 122.4 | | |
| 399 | H | 27.9 | Very low | 25 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | | 52.4 | 80.6 | 107.5 | -151.7 | -50.9 | 0 | 0 | 0 | 119.7 | | |
| 400 | S | 26.1 | Very low | 25 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -154 | 98.7 | 156.2 | 43.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 401 | Q | 27.4 | Very low | 25.1 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | -135.6 | 103.3 | 154.5 | -65.8 | -172.3 | -1.2 | 0 | 0 | 106.5 | | |
| 402 | K | 26.1 | Very low | 25.3 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | | 61.2 | 96 | 63.9 | -163.7 | 175.8 | -177 | 176.8 | 0 | 111.4 | | |
| 403 | A | 25.6 | Very low | 25.3 | Very low | 90 Ų | 90 | 153.7 Ų | 153.7 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | trans | -65.7 | 142.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 404 | N | 26.5 | Very low | 24.9 | Very low | 165 Ų | 165 | 159 Ų | 159 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | | | trans | -120.8 | 137.2 | 152.3 | -91.3 | -29.9 | 0 | 0 | 0 | 108 | | |
| 405 | K | 26.6 | Very low | 25.1 | Very low | 205 Ų | 205 | 161 Ų | 161 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | trans | -90.9 | 127 | -174.3 | -61 | 174 | -177.9 | 175.6 | 0 | 110.5 | | |
| 406 | T | 23.9 | Very low | 25.3 | Very low | 137 Ų | 137 | 161.2 Ų | 161.2 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | | | trans | -127.6 | 124 | 152.9 | 26.1 | 0 | 0 | 0 | 0 | 108 | | |
| 407 | S | 23.1 | Very low | 25.4 | Very low | 96 Ų | 96 | 163.8 Ų | 163.8 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | | | trans | -86.5 | 132.3 | -173.3 | -176.4 | 0 | 0 | 0 | 0 | 111 | | |
| 408 | Y | 23.4 | Very low | 25.4 | Very low | 229 Ų | 229 | 162.4 Ų | 162.4 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | | | trans | -125.7 | 114 | 149.5 | -80.4 | -78.6 | 0 | 0 | 0 | 108.2 | | |
| 409 | Q | 25.3 | Very low | 25.5 | Very low | 189 Ų | 189 | 165.6 Ų | 165.6 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | | | trans | -74.7 | 129.3 | 168.7 | -69.9 | 173.2 | -98.7 | 0 | 0 | 108.8 | | |
| 410 | S | 23.7 | Very low | 25.6 | Very low | 121 Ų | 121 | 165 Ų | 165 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | | | trans | -141.1 | 134.2 | 157.1 | -164.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 411 | S | 24.2 | Very low | 25.7 | Very low | 116 Ų | 116 | 166 Ų | 166 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | | | trans | -55.1 | 138.4 | -160.3 | -51.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 412 | K | 25.4 | Very low | 25.8 | Very low | 206 Ų | 206 | 166.5 Ų | 166.5 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | | | trans | -82.1 | 109 | 163.7 | -77.3 | -174.1 | 175.9 | -176.7 | 0 | 111.2 | | |
| 413 | Q | 26 | Very low | 26.1 | Very low | 169 Ų | 169 | 160.6 Ų | 160.6 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -175.6 | 137.4 | 148.9 | -100.5 | 158.6 | 0.6 | 0 | 0 | 105.1 | | |
| 414 | Y | 25.9 | Very low | 26.2 | Very low | 230 Ų | 230 | 163.8 Ų | 163.8 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | cis | -122.7 | 173.1 | 34.5 | -70.1 | -98.1 | 0 | 0 | 0 | 114.2 | | |
| 415 | L | 26.9 | Very low | 26.6 | Very low | 152 Ų | 152 | 159.1 Ų | 159.1 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | | | trans | -117.7 | 175.6 | 175.9 | -126.2 | 166.7 | 0 | 0 | 0 | 109.4 | | |
| 416 | L | 26.6 | Very low | 26.7 | Very low | 148 Ų | 148 | 154.9 Ų | 154.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | 74.5 | 89.5 | -179.9 | -60.2 | 111 | 0 | 0 | 0 | 117.2 | | |
| 417 | F | 24.2 | Very low | 27 | Very low | 208 Ų | 208 | 156.3 Ų | 156.3 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | | | | -165.8 | 74.5 | 106.2 | -114.5 | -72.2 | 0 | 0 | 0 | 111.4 | R419 | F417-R419 PolarHBondContact O-N 3.28Š|
| 418 | S | 23.9 | Very low | 27.3 | Very low | 117 Ų | 117 | 157 Ų | 157 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -85.2 | 93.7 | 170.9 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 419 | R | 27.2 | Very low | 27.6 | Very low | 219 Ų | 219 | 151.6 Ų | 151.6 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | trans | -77.2 | 120.1 | 154 | 177.7 | 178.5 | -86.1 | -156.5 | -3.7 | 106.6 | F417 Q421 | F417-R419 PolarHBondContact O-N 3.28Å; R419-Q421 PolarHBondContact O-N 3.02Å |
| 420 | E | 30.1 | Very low | 27.8 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | -66.2 | 116 | -177.4 | -166.9 | 174.6 | 164.1 | 0 | 0 | 110.4 | | |
| 421 | Q | 27.7 | Very low | 28.3 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | | | trans | -126.9 | 130.5 | 171.1 | -69.3 | -142.6 | 44.3 | 0 | 0 | 109 | R419 A423 | R419-Q421 PolarHBondContact O-N 3.02Å; Q421-A423 PolarHBondContact O-N 3.35Å |
| 422 | K | 30.5 | Very low | 28.8 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | | | trans | -94.3 | 72.8 | 179.9 | -70.8 | -176 | 177.2 | 178 | 0 | 110.8 | | |
| 423 | A | 31 | Very low | 28.8 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | | | trans | -141.6 | 130.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q421 P425 | Q421-A423 PolarHBondContact O-N 3.35Å; A423-P425 VanDerWaalsContact O-CD 3.23Å; A423-P425 WeakPolarHBondContact O-CD 3.41Å |
| 424 | D | 28.1 | Very low | 29 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | | | trans | -79.6 | 111.2 | 179.1 | -72.5 | -49.5 | 0 | 0 | 0 | 110.1 | T426 | D424-T426 PolarHBondContact O-N 2.98Å; D424-T426 VanDerWaalsContact O-N 3.16Å |
| 425 | P | 35 | Very low | 29.3 | Very low | 67 Ų | 67 | 138.4 Ų | 138.4 | 44% | 0.435 | 72% | 0.716 | S | S | . | * | | | trans | -68.9 | 116.4 | -179.8 | 27.4 | -33.1 | 0 | 0 | 0 | 110.1 | A423 W427 | A423-P425 VanDerWaalsContact O-CD 3.23Å; A423-P425 WeakPolarHBondContact O-CD 3.41Å; P425-W427 HydrophobicContact CB-CZ2 4.14Å; P425-W427 HydrophobicContact CG-CZ2 3.98Å; P425-W427 PolarHBondContact O-N 3.36Å; P425-W427 PolarHBondContact O-NE1 3.15Å |
| 426 | T | 28.9 | Very low | 29.6 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | | | trans | -79.7 | 110.6 | 175.8 | -64.3 | 0 | 0 | 0 | 0 | 110 | D424 | D424-T426 PolarHBondContact O-N 2.98Å; D424-T426 VanDerWaalsContact O-N 3.16Å |
| 427 | W | 29.9 | Very low | 29.8 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | | | trans | -87.9 | 122.5 | -178.5 | -56.4 | 90.7 | 0 | 0 | 0 | 111.6 | P425 I434 V436 | P425-W427 HydrophobicContact CB-CZ2 4.14Å; P425-W427 HydrophobicContact CG-CZ2 3.98Å; P425-W427 PolarHBondContact O-N 3.36Å; P425-W427 PolarHBondContact O-NE1 3.15Å; W427-I434 HydrophobicContact CE3-CG2 3.99Å; W427-I434 HydrophobicContact CZ3-CG2 3.73Å; W427-V436 HydrophobicContact CH2-CG2 4.28Å; W427-V436 HydrophobicContact CZ3-CG2 3.84Å |
| 428 | I | 29.3 | Very low | 30.3 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 56% | 0.564 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 109.6 | 170.2 | -60.4 | 178.4 | 0 | 0 | 0 | 108.3 | L430 | I428-L430 HydrophobicContact CG2-CD1 4.48Å; I428-L430 PolarHBondContact O-N 2.92Å |
| 429 | S | 28.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 100.1 | 177.3 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 430 | L | 31.1 | Very low | 30.9 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 63% | 0.634 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 145.2 | 160.6 | -77.6 | 158.6 | 0 | 0 | 0 | 107.9 | I428 D432 W433 | I428-L430 HydrophobicContact CG2-CD1 4.48Å; I428-L430 PolarHBondContact O-N 2.92Å; L430-D432 PolarHBondContact O-N 3.22Å; L430-W433 PolarHBondContact O-N 3.13Å; L430-W433 VanDerWaalsContact O-N 3.09Å |
| 431 | G | 33.3 | Very low | 30.9 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.9 | 125.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | W433 | G431-W433 PolarHBondContact O-N 3.03Š|
| 432 | D | 34.7 | Very low | 31.3 | Very low | 173 Ų | 173 | 128 Ų | 128 | 93% | 0.925 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.6 | -3.7 | 179.5 | -55.3 | -24.7 | 0 | 0 | 0 | 117.6 | L430 | L430-D432 PolarHBondContact O-N 3.22Š|
| 433 | W | 26.5 | Very low | 31.4 | Very low | 179 Ų | 179 | 121.1 Ų | 121.1 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 113.2 | -174.2 | -78.6 | 40.6 | 0 | 0 | 0 | 112 | L430 G431 | L430-W433 PolarHBondContact O-N 3.13Å; L430-W433 VanDerWaalsContact O-N 3.09Å; G431-W433 PolarHBondContact O-N 3.03Å |
| 434 | I | 29.2 | Very low | 31.4 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 57% | 0.574 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 111.3 | 172.6 | -58.5 | 177.6 | 0 | 0 | 0 | 109.1 | W427 V436 | W427-I434 HydrophobicContact CE3-CG2 3.99Å; W427-I434 HydrophobicContact CZ3-CG2 3.73Å; I434-V436 HydrophobicContact CG2-CG2 4.18Å |
| 435 | I | 33 | Very low | 31.6 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 52% | 0.523 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.4 | 170.2 | -57.9 | 176.2 | 0 | 0 | 0 | 108 | I437 | I435-I437 HydrophobicContact CG2-CG1 4.25Å |
| 436 | V | 32.4 | Very low | 31.3 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 47% | 0.467 | 67% | 0.671 | S | S | . | * | | | trans | -107 | 111.1 | 172.9 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | W427 I434 I438 | W427-V436 HydrophobicContact CH2-CG2 4.28Å; W427-V436 HydrophobicContact CZ3-CG2 3.84Å; I434-V436 HydrophobicContact CG2-CG2 4.18Å; V436-I438 HydrophobicContact CG1-CD1 4.39Å; V436-I438 HydrophobicContact CG1-CG1 3.97Å |
| 437 | I | 31.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 60% | 0.595 | 67% | 0.673 | S | S | * | * | | | trans | -89.3 | 128.6 | 169.2 | -57.5 | 176.8 | 0 | 0 | 0 | 107.1 | I435 | I435-I437 HydrophobicContact CG2-CG1 4.25Š|
| 438 | I | 33.6 | Very low | 31.2 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 56% | 0.564 | 68% | 0.682 | S | S | * | * | | | trans | -122.9 | 115.9 | 171.2 | -54.8 | 178.9 | 0 | 0 | 0 | 105.6 | V436 | V436-I438 HydrophobicContact CG1-CD1 4.39Å; V436-I438 HydrophobicContact CG1-CG1 3.97Å |
| 439 | E | 29.4 | Very low | 31.2 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | | | trans | -82 | 126.2 | 166.8 | -63.1 | -172.5 | 164.9 | 0 | 0 | 107.6 | | |
| 440 | E | 34.4 | Very low | 31.1 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 55% | 0.547 | 70% | 0.695 | S | S | . | * | | | trans | -120 | 103.8 | -175.7 | -171.4 | 160.1 | -157 | 0 | 0 | 106.7 | R125 D442 | R125-E440 IonicContact NH2-OE2 3.97Å; R125-E440 PolarHBondContact NH2-OE2 2.96Å; E440-D442 PolarHBondContact O-N 3.31Å |
| 441 | E | 29.9 | Very low | 31 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 93% | 0.925 | 70% | 0.703 | S | S | * | * | | | trans | -71 | 110.5 | 172.9 | -79.3 | -160.8 | 127.6 | 0 | 0 | 109.3 | G443 | E441-G443 VanDerWaalsContact C-N 3.28Å; E441-G443 PolarHBondContact O-N 2.99Å |
| 442 | D | 36.6 | Very low | 30.6 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | | | trans | -64.9 | 84.3 | 172 | -82 | -42.7 | 0 | 0 | 0 | 110.5 | H129 E440 | H129-D442 IonicContact ND1-OD2 3.18Å; E440-D442 PolarHBondContact O-N 3.31Å |
| 443 | G | 33.3 | Very low | 30.3 | Very low | 53 Ų | 53 | 133.3 Ų | 133.3 | 55% | 0.546 | 70% | 0.697 | S | S | . | * | | | trans | -60.4 | 151.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E441 S445 | E441-G443 VanDerWaalsContact C-N 3.28Å; E441-G443 PolarHBondContact O-N 2.99Å; G443-S445 PolarHBondContact O-N 3.16Å; G443-S445 VanDerWaalsContact O-N 3.13Å |
| 444 | P | 30.8 | Very low | 30.2 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | | | trans | -62 | 117.6 | -174 | 24.6 | -33.8 | 0 | 0 | 0 | 112 | D446 | P444-D446 PolarHBondContact O-N 3.21Š|
| 445 | S | 32.2 | Very low | 30.1 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 57% | 0.566 | 72% | 0.717 | S | S | * | * | | | trans | -84.6 | 90.6 | -176.6 | -169.9 | 0 | 0 | 0 | 0 | 112.4 | G443 H447 | G443-S445 PolarHBondContact O-N 3.16Å; G443-S445 VanDerWaalsContact O-N 3.13Å; S445-H447 VanDerWaalsContact C-N 3.33Å; S445-H447 PolarHBondContact O-N 3.24Å; S445-H447 PolarHBondContact OG-CE1 3.12Å; S445-H447 PolarHBondContact OG-ND1 3.04Å; S445-H447 PolarHBondContact OG-NE2 3.05Å; S445-H447 VanDerWaalsContact OG-NE2 3.14Å |
| 446 | D | 29.3 | Very low | 29.9 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | | | trans | -74.4 | 81.6 | 170.2 | -80.2 | -31.2 | 0 | 0 | 0 | 111.3 | P444 H448 | P444-D446 PolarHBondContact O-N 3.21Å; D446-H448 VanDerWaalsContact C-N 3.33Å; D446-H448 PolarHBondContact O-N 3.11Å |
| 447 | H | 29 | Very low | 29.9 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | trans | -75.8 | 76.9 | 174.5 | -75.7 | -32.2 | 0 | 0 | 0 | 112.9 | S445 L449 | S445-H447 VanDerWaalsContact C-N 3.33Å; S445-H447 PolarHBondContact O-N 3.24Å; S445-H447 PolarHBondContact OG-CE1 3.12Å; S445-H447 PolarHBondContact OG-ND1 3.04Å; S445-H447 PolarHBondContact OG-NE2 3.05Å; S445-H447 VanDerWaalsContact OG-NE2 3.14Å; H447-L449 PolarHBondContact O-N 3.11Å; H447-L449 VanDerWaalsContact O-N 3.16Å |
| 448 | H | 26.8 | Very low | 29.9 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | | | trans | -69.1 | 104 | 161.2 | -88.5 | -81.3 | 0 | 0 | 0 | 110.9 | D446 A450 | D446-H448 VanDerWaalsContact C-N 3.33Å; D446-H448 PolarHBondContact O-N 3.11Å; H448-A450 PolarHBondContact O-N 3.43Å |
| 449 | L | 29.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | trans | -70.6 | 91.2 | 174.4 | -92.6 | 166.4 | 0 | 0 | 0 | 111.7 | H447 Q451 | H447-L449 PolarHBondContact O-N 3.11Å; H447-L449 VanDerWaalsContact O-N 3.16Å; L449-Q451 PolarHBondContact O-N 3.38Å; L449-Q451 VanDerWaalsContact O-N 3.09Å |
| 450 | A | 27.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | | | trans | -71.8 | 94.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H448 H452 | H448-A450 PolarHBondContact O-N 3.43Å; A450-H452 PolarHBondContact O-N 3.19Å |
| 451 | Q | 29 | Very low | 30.2 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -78.4 | 116.3 | 169.9 | -66.1 | -173.7 | 4.9 | 0 | 0 | 110.1 | L449 | L449-Q451 PolarHBondContact O-N 3.38Å; L449-Q451 VanDerWaalsContact O-N 3.09Å |
| 452 | H | 25 | Very low | 30.3 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | | | trans | -145 | 95.4 | 163.1 | -146.9 | -90.4 | 0 | 0 | 0 | 113.3 | A450 | A450-H452 PolarHBondContact O-N 3.19Š|
| 453 | L | 28.5 | Very low | 30.4 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | 36.3 | 116.3 | 145.3 | -72.9 | 140.3 | 0 | 0 | 0 | 119.4 | | |
| 454 | S | 24.2 | Very low | 30.3 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | | -156.2 | 116.3 | 118.2 | -83.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 455 | N | 26.4 | Very low | 30.2 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -156 | 121.8 | 137 | -108.5 | -20.9 | 0 | 0 | 0 | 109.1 | | |
| 456 | R | 28.7 | Very low | 30.1 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -106.3 | 120 | 179.1 | 170.6 | -173 | 174.2 | 166.9 | 4 | 106.9 | D458 | R456-D458 IonicContact CZ-OD1 3.32Å; R456-D458 VanDerWaalsContact CZ-OD1 3.32Å; R456-D458 IonicContact CZ-OD2 3.84Å; R456-D458 IonicContact NE-OD1 2.89Å; R456-D458 PolarHBondContact NE-OD1 3.38Å; R456-D458 IonicContact NE-OD2 3.08Å; R456-D458 PolarHBondContact NE-OD2 3.38Å; R456-D458 VanDerWaalsContact NE-OD2 3.08Å; R456-D458 IonicContact NH2-OD1 2.85Å; R456-D458 PolarHBondContact NH2-OD1 3.43Å; R456-D458 IonicContact NH2-OD2 3.86Å |
| 457 | T | 32 | Very low | 30.2 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -122.2 | 99.6 | 174 | -46.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 458 | D | 31.8 | Very low | 30.3 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 57% | 0.572 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 126.5 | 178.6 | -52.8 | -92.8 | 0 | 0 | 0 | 109.8 | R456 | R456-D458 IonicContact CZ-OD1 3.32Å; R456-D458 VanDerWaalsContact CZ-OD1 3.32Å; R456-D458 IonicContact CZ-OD2 3.84Å; R456-D458 IonicContact NE-OD1 2.89Å; R456-D458 PolarHBondContact NE-OD1 3.38Å; R456-D458 IonicContact NE-OD2 3.08Å; R456-D458 PolarHBondContact NE-OD2 3.38Å; R456-D458 VanDerWaalsContact NE-OD2 3.08Å; R456-D458 IonicContact NH2-OD1 2.85Å; R456-D458 PolarHBondContact NH2-OD1 3.43Å; R456-D458 IonicContact NH2-OD2 3.86Å |
| 459 | H | 29.6 | Very low | 30.5 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 126 | 174.2 | -80.4 | -94.3 | 0 | 0 | 0 | 110.6 | | |
| 460 | P | 41.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 153 Ų | 153 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 131.1 | 167.8 | 31 | -32.1 | 0 | 0 | 0 | 110.9 | | |
| 461 | L | 33.4 | Very low | 30.8 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 132.6 | 168.4 | -87.6 | 153.2 | 0 | 0 | 0 | 110.7 | | |
| 462 | F | 31.6 | Very low | 31 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -146.4 | 118.4 | 154.9 | -97.8 | -76.8 | 0 | 0 | 0 | 110.5 | | |
| 463 | T | 39.3 | Very low | 31.5 | Very low | 209 Ų | 209 | 154.6 Ų | 154.6 | 100% | 1.282 | 82% | 0.82 | S | S | * | * | | | trans | 38.7 | 0 | 163.8 | 59.6 | 0 | 0 | 0 | 0 | 117.7 | | |