| 1 | M | 33.8 | Very low | 35.5 | Very low | 236 Ų | 236 | 138.4 Ų | 138.4 | 100% | 1.163 | 85% | 0.85 | S | S | * | * | | | | 0 | 138.9 | 0 | -76 | 164.6 | 167.7 | 0 | 0 | 108.3 | | |
| 2 | I | 34.1 | Very low | 35 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 87% | 0.867 | 85% | 0.849 | S | S | * | * | | | trans | 39.3 | 125.4 | 148.5 | -49.7 | 176.6 | 0 | 0 | 0 | 119.3 | | |
| 3 | T | 34.9 | Very low | 34.8 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | | | trans | -81.2 | 143.8 | 177.4 | 45.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 4 | S | 41.2 | Very low | 34.6 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | | | trans | -171.8 | 151.7 | 151.4 | -85 | 0 | 0 | 0 | 0 | 107.5 | | |
| 5 | P | 47 | Very low | 34.5 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | | | cis | -133.1 | 176.1 | 39.6 | 42 | -26.8 | 0 | 0 | 0 | 116.4 | | |
| 6 | S | 39.6 | Very low | 34.3 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | | | trans | -106.6 | 148.1 | 163.8 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 7 | V | 35 | Very low | 34.2 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 89% | 0.891 | 84% | 0.836 | S | S | * | * | | | trans | 178.7 | 147.3 | 132.3 | 145.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 8 | S | 33.2 | Very low | 34.1 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | -84.2 | 157.5 | -175.4 | -38.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 9 | A | 31.2 | Very low | 33.9 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | | 178.7 | 144.3 | 120.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 10 | L | 30.9 | Very low | 33.7 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | | | trans | 6.2 | 135 | 153.3 | -95 | 58.1 | 0 | 0 | 0 | 121.2 | | |
| 11 | S | 29.7 | Very low | 33.6 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | | -174 | 130 | 109.1 | -171.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 12 | N | 29.3 | Very low | 33.5 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | 58.5 | 157.2 | 153.2 | -80.3 | -16.5 | 0 | 0 | 0 | 120.7 | | |
| 13 | S | 32.5 | Very low | 33.5 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | cis | -145.5 | 165 | 2 | 44 | 0 | 0 | 0 | 0 | 112.7 | | |
| 14 | N | 31.9 | Very low | 33.4 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -61.9 | 143.4 | 179.2 | -65.2 | -45.5 | 0 | 0 | 0 | 114.8 | | |
| 15 | T | 33.6 | Very low | 33 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -134.1 | 111.5 | 136.3 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 16 | H | 31.5 | Very low | 32.4 | Very low | 145 Ų | 145 | 140 Ų | 140 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | trans | -92.3 | 127.7 | -177.4 | 170 | -84.2 | 0 | 0 | 0 | 110.6 | V18 | H16-V18 PolarHBondContact CE1-O 3.18Å; H16-V18 PolarHBondContact ND1-O 3Å |
| 17 | L | 31.6 | Very low | 32.2 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | | | trans | -130.3 | 78.9 | 175.3 | -74.1 | 179.3 | 0 | 0 | 0 | 112.2 | | |
| 18 | V | 32.6 | Very low | 32.4 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 56% | 0.558 | 77% | 0.767 | S | S | * | * | | | trans | -139.2 | 140.1 | 155.1 | -145.7 | 0 | 0 | 0 | 0 | 103.3 | H16 | H16-V18 PolarHBondContact CE1-O 3.18Å; H16-V18 PolarHBondContact ND1-O 3Å |
| 19 | W | 31.1 | Very low | 32.9 | Very low | 212 Ų | 212 | 143 Ų | 143 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | | | cis | -152.1 | 137.5 | 23.8 | -167 | -71.4 | 0 | 0 | 0 | 108.1 | | |
| 20 | E | 28.9 | Very low | 33.2 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | | | trans | -143.4 | 138 | 135.5 | -141.6 | 177.9 | -173.8 | 0 | 0 | 109.9 | | |
| 21 | S | 32.3 | Very low | 33.6 | Very low | 75 Ų | 75 | 144.4 Ų | 144.4 | 52% | 0.524 | 76% | 0.759 | S | S | . | * | | | trans | -142.7 | 121.4 | -175.9 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 22 | I | 32 | Very low | 34 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | | | trans | -128.1 | 115.3 | 160.8 | -60.4 | -175.7 | 0 | 0 | 0 | 106.4 | | |
| 23 | D | 34.4 | Very low | 34.5 | Very low | 129 Ų | 129 | 149 Ų | 149 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | trans | -88.4 | 164.4 | -173.3 | -152 | -54.6 | 0 | 0 | 0 | 111.7 | | |
| 24 | S | 31.9 | Very low | 35.1 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | trans | 65.4 | 105 | 151.8 | -73.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 25 | R | 33.3 | Very low | 36 | Very low | 229 Ų | 229 | 150.3 Ų | 150.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | | -157.5 | 134.5 | 101.8 | -108.2 | 163 | -72.4 | -178 | -0.2 | 115 | | |
| 26 | N | 34.8 | Very low | 36.9 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | | | trans | 66.5 | 70.3 | 149.9 | -58.4 | -1.1 | 0 | 0 | 0 | 120 | | |
| 27 | N | 34.9 | Very low | 38.4 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | | | | 30.6 | 118.7 | 108.3 | -170.9 | 0.9 | 0 | 0 | 0 | 118.6 | | |
| 28 | I | 39.8 | Very low | 39.6 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | | | | -163.2 | 138.6 | 126.7 | -99.4 | 153.5 | 0 | 0 | 0 | 110.3 | | |
| 29 | N | 41.8 | Very low | 40.8 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | | | trans | -74.1 | 133 | -167.6 | -65.2 | -78.9 | 0 | 0 | 0 | 114.9 | | |
| 30 | K | 38.3 | Very low | 42.2 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | | | trans | -155.9 | 127.2 | 153.7 | -104.8 | 164.1 | -170.6 | 172.7 | 0 | 109.8 | F32 | K30-F32 PolarHBondContact O-N 3.17Š|
| 31 | P | 39.7 | Very low | 43.8 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | | | trans | -77.3 | 105.3 | 179.8 | 30.1 | -33.1 | 0 | 0 | 0 | 111 | L33 | P31-L33 PolarHBondContact O-N 3.03Š|
| 32 | F | 36.9 | Very low | 45.2 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 83% | 0.833 | 71% | 0.712 | S | S | * | * | | | trans | -68.5 | 112.9 | 167.6 | -79.7 | -91.1 | 0 | 0 | 0 | 109.7 | K30 H34 | K30-F32 PolarHBondContact O-N 3.17Å; F32-H34 VanDerWaalsContact C-N 3.3Å; F32-H34 PolarHBondContact O-N 3.33Å |
| 33 | L | 40.4 | Very low | 46.5 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 86% | 0.859 | 70% | 0.7 | S | S | * | * | | | trans | -73.4 | 84.4 | 173.3 | -66.2 | 179.7 | 0 | 0 | 0 | 110.1 | P31 S35 | P31-L33 PolarHBondContact O-N 3.03Å; L33-S35 PolarHBondContact O-N 3.41Å |
| 34 | H | 45.8 | Very low | 47.7 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.787 | 69% | 0.688 | S | S | * | * | | | trans | -55.1 | 124.8 | 166.5 | -112.3 | -93.8 | 0 | 0 | 0 | 109.4 | F32 V36 | F32-H34 VanDerWaalsContact C-N 3.3Å; F32-H34 PolarHBondContact O-N 3.33Å; H34-V36 VanDerWaalsContact C-N 3.33Å; H34-V36 PolarHBondContact O-N 3.17Å |
| 35 | S | 49.9 | Very low | 49.1 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | | | trans | -73.3 | 88.5 | 177.7 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | L33 | L33-S35 PolarHBondContact O-N 3.41Š|
| 36 | V | 53.9 | Low | 50.3 | Low | 74 Ų | 74 | 129.7 Ų | 129.7 | 45% | 0.448 | 69% | 0.688 | S | S | . | * | | | trans | -57.5 | 134.6 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | H34 D40 R43 | H34-V36 VanDerWaalsContact C-N 3.33Å; H34-V36 PolarHBondContact O-N 3.17Å; V36-D40 HydrophobicContact CG1-CB 3.43Å; V36-D40 VanDerWaalsContact CG1-CB 3.43Å; V36-R43 HydrophobicContact CB-CG 4.19Å; V36-R43 HydrophobicContact CG1-CG 4.21Å |
| 37 | P | 62.5 | Low | 51.6 | Low | 85 Ų | 85 | 131 Ų | 131 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | | | trans | -54.9 | 153.5 | -177.8 | -28.9 | 35.9 | 0 | 0 | 0 | 114.4 | S39 D40 | P37-S39 PolarHBondContact O-N 3.33Å; P37-D40 PolarHBondContact O-N 3.33Å |
| 38 | P | 56.8 | Low | 52.9 | Low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -18.1 | -177 | -26.4 | 35.5 | 0 | 0 | 0 | 115.8 | | |
| 39 | S | 56.6 | Low | 54.7 | Low | 92 Ų | 92 | 125.1 Ų | 125.1 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -8.5 | -175.1 | -45.5 | 0 | 0 | 0 | 0 | 114.7 | P37 H41 | P37-S39 PolarHBondContact O-N 3.33Å; S39-H41 PolarHBondContact O-N 3.42Å |
| 40 | D | 61.6 | Low | 55.7 | Low | 52 Ų | 52 | 124.7 Ų | 124.7 | 28% | 0.278 | 66% | 0.656 | S | S | . | * | | | trans | -64.4 | 129 | -178.2 | 165.3 | 43.8 | 0 | 0 | 0 | 112.7 | V36 P37 L42 R43 Q44 | V36-D40 HydrophobicContact CG1-CB 3.43Å; V36-D40 VanDerWaalsContact CG1-CB 3.43Å; P37-D40 PolarHBondContact O-N 3.33Å; D40-L42 VanDerWaalsContact C-N 3.29Å; D40-L42 VanDerWaalsContact CG-N 3.31Å; D40-L42 PolarHBondContact O-N 3.46Å; D40-L42 WeakPolarHBondContact OD1-CB 3.44Å; D40-L42 PolarHBondContact OD1-N 3.45Å; D40-L42 VanDerWaalsContact OD2-CB 3.25Å; D40-L42 WeakPolarHBondContact OD2-CB 3.07Å; D40-L42 PolarHBondContact OD2-N 3.25Å; D40-R43 HydrophobicContact CB-CB 4.3Å; D40-R43 HydrophobicContact CB-CG 4.14Å; D40-R43 PolarHBondContact O-N 3.15Å; D40-R43 WeakPolarHBondContact OD2-CG 3.46Å; D40-R43 PolarHBondContact OD2-N 2.78Å; D40-Q44 WeakPolarHBondContact O-CG 3.5Å; D40-Q44 PolarHBondContact O-N 3.13Å |
| 41 | H | 62.3 | Low | 56.7 | Low | 156 Ų | 156 | 124.5 Ų | 124.5 | 72% | 0.722 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.2 | -33.3 | 177 | -77.5 | -132.1 | 0 | 0 | 0 | 112.2 | S39 Q44 A45 | S39-H41 PolarHBondContact O-N 3.42Å; H41-Q44 PolarHBondContact O-N 2.92Å; H41-A45 PolarHBondContact O-N 2.8Å |
| 42 | L | 61.9 | Low | 57.7 | Low | 127 Ų | 127 | 121.5 Ų | 121.5 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69 | -35.3 | 179.8 | -139.1 | 81.3 | 0 | 0 | 0 | 112 | D40 | D40-L42 VanDerWaalsContact C-N 3.29Å; D40-L42 VanDerWaalsContact CG-N 3.31Å; D40-L42 PolarHBondContact O-N 3.46Å; D40-L42 WeakPolarHBondContact OD1-CB 3.44Å; D40-L42 PolarHBondContact OD1-N 3.45Å; D40-L42 VanDerWaalsContact OD2-CB 3.25Å; D40-L42 WeakPolarHBondContact OD2-CB 3.07Å; D40-L42 PolarHBondContact OD2-N 3.25Å |
| 43 | R | 59.1 | Low | 58.8 | Low | 151 Ų | 151 | 117 Ų | 117 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 169.1 | -71.4 | -106.1 | 65.1 | -155.1 | 2.1 | 112.2 | V36 D40 K46 | V36-R43 HydrophobicContact CB-CG 4.19Å; V36-R43 HydrophobicContact CG1-CG 4.21Å; D40-R43 HydrophobicContact CB-CB 4.3Å; D40-R43 HydrophobicContact CB-CG 4.14Å; D40-R43 PolarHBondContact O-N 3.15Å; D40-R43 WeakPolarHBondContact OD2-CG 3.46Å; D40-R43 PolarHBondContact OD2-N 2.78Å; R43-K46 PolarHBondContact O-N 3.48Å |
| 44 | Q | 60.2 | Low | 59.7 | Low | 90 Ų | 90 | 118.6 Ų | 118.6 | 42% | 0.421 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.6 | -39.9 | 179.4 | -66.9 | -176.2 | 36.3 | 0 | 0 | 112.3 | D40 H41 K46 R47 | D40-Q44 WeakPolarHBondContact O-CG 3.5Å; D40-Q44 PolarHBondContact O-N 3.13Å; H41-Q44 PolarHBondContact O-N 2.92Å; Q44-K46 PolarHBondContact O-N 3.47Å; Q44-R47 PolarHBondContact O-N 2.72Å |
| 45 | A | 60.1 | Low | 60.2 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 74% | 0.736 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -17 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H41 | H41-A45 PolarHBondContact O-N 2.8Š|
| 46 | K | 59.8 | Low | 60.6 | Low | 172 Ų | 172 | 115.9 Ų | 115.9 | 75% | 0.748 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 10.4 | 175.7 | -66.9 | -173.4 | 177.3 | -178.6 | 0 | 114.2 | R43 Q44 | R43-K46 PolarHBondContact O-N 3.48Å; Q44-K46 PolarHBondContact O-N 3.47Å |
| 47 | R | 60.8 | Low | 60.8 | Low | 171 Ų | 171 | 116.7 Ų | 116.7 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 120.5 | 172.4 | -79.4 | -172.9 | 169.7 | 135.5 | 0.1 | 111.1 | Q44 | Q44-R47 PolarHBondContact O-N 2.72Š|
| 48 | V | 63.8 | Low | 60.5 | Low | 85 Ų | 85 | 116.2 Ų | 116.2 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 130.8 | 165.4 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | I50 V52 | V48-I50 PolarHBondContact O-N 2.91Å; V48-V52 HydrophobicContact CG1-CB 3.77Å; V48-V52 HydrophobicContact CG1-CG1 3.69Å |
| 49 | P | 75.8 | Confident | 60.3 | Low | 84 Ų | 84 | 121.5 Ų | 121.5 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 139.4 | -178.4 | -27.3 | 35 | 0 | 0 | 0 | 112.4 | K51 V52 L53 | P49-K51 PolarHBondContact O-N 3.36Å; P49-V52 HydrophobicContact CB-CG2 4.33Å; P49-V52 WeakPolarHBondContact O-CA 3.18Å; P49-V52 WeakPolarHBondContact O-CB 3.4Å; P49-V52 PolarHBondContact O-N 3.45Å; P49-L53 PolarHBondContact O-N 3.04Å |
| 50 | I | 63.3 | Low | 60.1 | Low | 137 Ų | 137 | 121 Ų | 121 | 70% | 0.703 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -54.7 | -32.4 | -176.5 | -59.7 | 172.6 | 0 | 0 | 0 | 111.9 | V48 L53 R54 | V48-I50 PolarHBondContact O-N 2.91Å; I50-L53 PolarHBondContact O-N 2.96Å; I50-R54 WeakPolarHBondContact O-CG 3.5Å; I50-R54 PolarHBondContact O-N 3.36Å |
| 51 | K | 59 | Low | 59.7 | Low | 177 Ų | 177 | 121.1 Ų | 121.1 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.2 | -38.8 | 175.1 | -163.5 | 170.2 | -176.7 | 177.2 | 0 | 112.7 | P49 M55 | P49-K51 PolarHBondContact O-N 3.36Å; K51-M55 WeakPolarHBondContact O-CG 3.46Å; K51-M55 PolarHBondContact O-N 3.48Å |
| 52 | V | 60.5 | Low | 59.1 | Low | 56 Ų | 56 | 122.4 Ų | 122.4 | 34% | 0.339 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.8 | -41.6 | 174.5 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | V48 P49 R54 M55 L56 | V48-V52 HydrophobicContact CG1-CB 3.77Å; V48-V52 HydrophobicContact CG1-CG1 3.69Å; P49-V52 HydrophobicContact CB-CG2 4.33Å; P49-V52 WeakPolarHBondContact O-CA 3.18Å; P49-V52 WeakPolarHBondContact O-CB 3.4Å; P49-V52 PolarHBondContact O-N 3.45Å; V52-R54 VanDerWaalsContact C-N 3.3Å; V52-R54 PolarHBondContact O-N 2.97Å; V52-M55 PolarHBondContact O-N 3.29Å; V52-M55 VanDerWaalsContact O-N 3.07Å; V52-L56 HydrophobicContact CG1-CD1 4.14Å; V52-L56 HydrophobicContact CG1-CG 4.47Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 2.89Å |
| 53 | L | 61.3 | Low | 58.8 | Low | 95 Ų | 95 | 123.4 Ų | 123.4 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -57.8 | -43.2 | 174.5 | -173 | 62.6 | 0 | 0 | 0 | 111.3 | P49 I50 M55 L56 T57 | P49-L53 PolarHBondContact O-N 3.04Å; I50-L53 PolarHBondContact O-N 2.96Å; L53-M55 PolarHBondContact O-N 3.09Å; L53-L56 PolarHBondContact O-N 3.06Å; L53-T57 PolarHBondContact O-N 3.03Å; L53-T57 PolarHBondContact O-OG1 3.19Å; L53-T57 VanDerWaalsContact O-OG1 3.09Å |
| 54 | R | 59.2 | Low | 58.2 | Low | 198 Ų | 198 | 123 Ų | 123 | 75% | 0.747 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.2 | -34.1 | 174 | -75.3 | -124.5 | -85.6 | 159.7 | -9.7 | 113.7 | I50 V52 A58 | I50-R54 WeakPolarHBondContact O-CG 3.5Å; I50-R54 PolarHBondContact O-N 3.36Å; V52-R54 VanDerWaalsContact C-N 3.3Å; V52-R54 PolarHBondContact O-N 2.97Å; R54-A58 VanDerWaalsContact O-CB 3.27Å; R54-A58 WeakPolarHBondContact O-CB 3.36Å; R54-A58 PolarHBondContact O-N 3.35Å |
| 55 | M | 56.5 | Low | 57.3 | Low | 125 Ų | 125 | 125 Ų | 125 | 62% | 0.616 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 172.9 | -66 | -165.4 | -49 | 0 | 0 | 112.4 | K51 V52 L53 A58 R59 | K51-M55 WeakPolarHBondContact O-CG 3.46Å; K51-M55 PolarHBondContact O-N 3.48Å; V52-M55 PolarHBondContact O-N 3.29Å; V52-M55 VanDerWaalsContact O-N 3.07Å; L53-M55 PolarHBondContact O-N 3.09Å; M55-A58 PolarHBondContact O-N 3.14Å; M55-R59 PolarHBondContact O-N 3.17Å |
| 56 | L | 58.3 | Low | 57 | Low | 108 Ų | 108 | 125.5 Ų | 125.5 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.4 | -46.7 | 175.9 | -68.5 | 167.7 | 0 | 0 | 0 | 111.1 | V52 L53 A58 R59 S60 | V52-L56 HydrophobicContact CG1-CD1 4.14Å; V52-L56 HydrophobicContact CG1-CG 4.47Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 2.89Å; L53-L56 PolarHBondContact O-N 3.06Å; L56-A58 PolarHBondContact O-N 2.87Å; L56-R59 PolarHBondContact O-N 3.06Å; L56-S60 PolarHBondContact O-N 3.11Å; L56-S60 VanDerWaalsContact O-N 3.12Å |
| 57 | T | 58.8 | Low | 56.5 | Low | 91 Ų | 91 | 122.9 Ų | 122.9 | 56% | 0.558 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.2 | -42.3 | 174.6 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | L53 R59 S60 G61 | L53-T57 PolarHBondContact O-N 3.03Å; L53-T57 PolarHBondContact O-OG1 3.19Å; L53-T57 VanDerWaalsContact O-OG1 3.09Å; T57-R59 PolarHBondContact O-N 3.38Å; T57-S60 PolarHBondContact O-N 3.24Å; T57-G61 PolarHBondContact O-N 3.25Å |
| 58 | A | 55.9 | Low | 55.8 | Low | 75 Ų | 75 | 124.4 Ų | 124.4 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.2 | -32.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R54 M55 L56 | R54-A58 VanDerWaalsContact O-CB 3.27Å; R54-A58 WeakPolarHBondContact O-CB 3.36Å; R54-A58 PolarHBondContact O-N 3.35Å; M55-A58 PolarHBondContact O-N 3.14Å; L56-A58 PolarHBondContact O-N 2.87Å |
| 59 | R | 52.7 | Low | 54.9 | Low | 221 Ų | 221 | 128 Ų | 128 | 83% | 0.834 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.5 | -16.3 | 175.6 | -160.4 | 168.7 | -177.3 | 170.3 | 0.2 | 113.6 | M55 L56 T57 | M55-R59 PolarHBondContact O-N 3.17Å; L56-R59 PolarHBondContact O-N 3.06Å; T57-R59 PolarHBondContact O-N 3.38Å |
| 60 | S | 52.3 | Low | 53.3 | Low | 81 Ų | 81 | 131.3 Ų | 131.3 | 57% | 0.566 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -83.5 | -11.9 | 177.1 | -166.6 | 0 | 0 | 0 | 0 | 114 | L56 T57 H62 | L56-S60 PolarHBondContact O-N 3.11Å; L56-S60 VanDerWaalsContact O-N 3.12Å; T57-S60 PolarHBondContact O-N 3.24Å; S60-H62 VanDerWaalsContact C-N 3.29Å; S60-H62 PolarHBondContact O-N 3.25Å |
| 61 | G | 51.4 | Low | 52.4 | Low | 55 Ų | 55 | 130.2 Ų | 130.2 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -8.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | T57 | T57-G61 PolarHBondContact O-N 3.25Š|
| 62 | H | 51.4 | Low | 51.4 | Low | 183 Ų | 183 | 129.6 Ų | 129.6 | 85% | 0.847 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 2.7 | -174.5 | -98.4 | -69.7 | 0 | 0 | 0 | 115.3 | S60 | S60-H62 VanDerWaalsContact C-N 3.29Å; S60-H62 PolarHBondContact O-N 3.25Å |
| 63 | I | 54.5 | Low | 50.5 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -113.9 | -15.3 | -176 | -59.8 | 177.3 | 0 | 0 | 0 | 112.2 | | |
| 64 | L | 47.7 | Very low | 49.6 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -130.9 | 110.1 | 176.9 | -65.4 | 174.6 | 0 | 0 | 0 | 110.2 | P66 | L64-P66 WeakPolarHBondContact O-CD 3.42Š|
| 65 | H | 41.4 | Very low | 48.4 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 61% | 0.611 | 70% | 0.7 | S | S | * | * | | | trans | -69.2 | 118.1 | 173.2 | -112.4 | -77.2 | 0 | 0 | 0 | 109.9 | E67 Y68 | H65-E67 IonicContact CE1-OE2 3.73Å; H65-E67 IonicContact CG-OE2 3.58Å; H65-E67 IonicContact ND1-OE1 3.91Å; H65-E67 IonicContact ND1-OE2 2.7Å; H65-E67 PolarHBondContact ND1-OE2 3.16Å; H65-E67 PolarHBondContact O-N 3.36Å; H65-Y68 HydrophobicContact CB-CD2 3.74Å; H65-Y68 HydrophobicContact CB-CE2 3.82Å |
| 66 | P | 53.7 | Low | 47.7 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -66.7 | -19.6 | 179.4 | 26.4 | -34.9 | 0 | 0 | 0 | 114.1 | L64 Y68 L69 | L64-P66 WeakPolarHBondContact O-CD 3.42Å; P66-Y68 PolarHBondContact O-N 3.37Å; P66-Y68 VanDerWaalsContact O-N 3.14Å; P66-L69 PolarHBondContact O-N 3.18Å; P66-L69 VanDerWaalsContact O-N 3.17Å |
| 67 | E | 47.7 | Very low | 47.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 55% | 0.547 | 72% | 0.724 | S | S | . | * | G | 310 helix | trans | -64.1 | -16 | -176.8 | -67.5 | 82.1 | 172 | 0 | 0 | 113.8 | H65 L69 | H65-E67 IonicContact CE1-OE2 3.73Å; H65-E67 IonicContact CG-OE2 3.58Å; H65-E67 IonicContact ND1-OE1 3.91Å; H65-E67 IonicContact ND1-OE2 2.7Å; H65-E67 PolarHBondContact ND1-OE2 3.16Å; H65-E67 PolarHBondContact O-N 3.36Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.31Å |
| 68 | Y | 45.9 | Very low | 46.4 | Very low | 203 Ų | 203 | 132.7 Ų | 132.7 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -81.7 | -1.2 | 175.9 | -69 | -75.8 | 0 | 0 | 0 | 114.7 | H65 P66 | H65-Y68 HydrophobicContact CB-CD2 3.74Å; H65-Y68 HydrophobicContact CB-CE2 3.82Å; P66-Y68 PolarHBondContact O-N 3.37Å; P66-Y68 VanDerWaalsContact O-N 3.14Å |
| 69 | L | 46.3 | Very low | 46 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -116.8 | 31.6 | 175.1 | -70.7 | 178.1 | 0 | 0 | 0 | 113.1 | P66 E67 P71 | P66-L69 PolarHBondContact O-N 3.18Å; P66-L69 VanDerWaalsContact O-N 3.17Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.31Å; L69-P71 WeakPolarHBondContact O-CD 3.48Å |
| 70 | Q | 42.8 | Very low | 45.6 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 118.9 | 170 | -173.3 | 168.5 | -1.8 | 0 | 0 | 110.8 | L72 | Q70-L72 PolarHBondContact O-N 2.59Š|
| 71 | P | 44.1 | Very low | 45.8 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.4 | 172.4 | -19.2 | 33.1 | 0 | 0 | 0 | 110.4 | L69 P73 | L69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-P73 WeakPolarHBondContact O-CD 3.39Å |
| 72 | L | 38.1 | Very low | 46 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124.1 | 179.1 | -69.4 | 170 | 0 | 0 | 0 | 110.6 | Q70 S74 | Q70-L72 PolarHBondContact O-N 2.59Å; L72-S74 PolarHBondContact O-N 3.09Å |
| 73 | P | 39.8 | Very low | 46.2 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | trans | -70.6 | 114.7 | 174.5 | 28.1 | -32.6 | 0 | 0 | 0 | 110.1 | P71 T75 | P71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-T75 PolarHBondContact O-N 3.39Å; P73-T75 VanDerWaalsContact O-N 3.16Å |
| 74 | S | 42.6 | Very low | 46.3 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | | | trans | -77.7 | 96.3 | -178.5 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | L72 | L72-S74 PolarHBondContact O-N 3.09Š|
| 75 | T | 34.1 | Very low | 46.7 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | trans | -133.7 | 155.7 | 172.4 | 40 | 0 | 0 | 0 | 0 | 111.3 | P73 | P73-T75 PolarHBondContact O-N 3.39Å; P73-T75 VanDerWaalsContact O-N 3.16Å |
| 76 | P | 41.6 | Very low | 47.7 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | trans | -88 | 166.9 | -146.9 | 33.6 | -38 | 0 | 0 | 0 | 116.6 | | |
| 77 | I | 52.2 | Low | 48.8 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | | | trans | -53.5 | 130.6 | 176.1 | -68.7 | 161.2 | 0 | 0 | 0 | 112.6 | | |
| 78 | S | 38.3 | Very low | 50.5 | Low | 96 Ų | 96 | 133.3 Ų | 133.3 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | | | trans | -144.8 | 149.2 | 151.3 | 59.3 | 0 | 0 | 0 | 0 | 109.2 | I80 | S78-I80 PolarHBondContact O-N 2.92Š|
| 79 | P | 47.5 | Very low | 52.4 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | | | trans | -84.5 | 119.1 | -166.4 | 31.6 | -33.4 | 0 | 0 | 0 | 112 | | |
| 80 | I | 45.2 | Very low | 54 | Low | 134 Ų | 134 | 123.9 Ų | 123.9 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | | | trans | -99.7 | 120.8 | 163.6 | -49.8 | 178.4 | 0 | 0 | 0 | 107.7 | S78 L82 | S78-I80 PolarHBondContact O-N 2.92Å; I80-L82 HydrophobicContact CB-CG 4.26Å; I80-L82 HydrophobicContact CG2-CD2 4.18Å; I80-L82 HydrophobicContact CG2-CG 3.8Å; I80-L82 PolarHBondContact O-N 3.36Å |
| 81 | E | 55.7 | Low | 55.9 | Low | 197 Ų | 197 | 121.8 Ų | 121.8 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | | | trans | -70.3 | 71.2 | 165.7 | -68.1 | -173.9 | 110.8 | 0 | 0 | 109.8 | D83 | E81-D83 PolarHBondContact O-N 3.31Š|
| 82 | L | 55.7 | Low | 57.9 | Low | 143 Ų | 143 | 121.5 Ų | 121.5 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | | | trans | -67.5 | 118 | 175.1 | -84 | 172.1 | 0 | 0 | 0 | 109.6 | I80 A84 | I80-L82 HydrophobicContact CB-CG 4.26Å; I80-L82 HydrophobicContact CG2-CD2 4.18Å; I80-L82 HydrophobicContact CG2-CG 3.8Å; I80-L82 PolarHBondContact O-N 3.36Å; L82-A84 PolarHBondContact O-N 2.8Å |
| 83 | D | 56.4 | Low | 60.1 | Low | 90 Ų | 90 | 116.7 Ų | 116.7 | 48% | 0.481 | 67% | 0.668 | S | S | . | * | | | trans | -56 | 93.7 | -167.5 | -169.7 | 31.2 | 0 | 0 | 0 | 113.4 | E81 K85 K86 | E81-D83 PolarHBondContact O-N 3.31Å; D83-K85 PolarHBondContact O-N 3.37Å; D83-K85 WeakPolarHBondContact OD1-CE 3.34Å; D83-K85 WeakPolarHBondContact OD1-CG 3.5Å; D83-K85 IonicContact OD1-NZ 3.91Å; D83-K85 WeakPolarHBondContact OD2-CE 3.41Å; D83-K85 WeakPolarHBondContact OD2-CG 3.45Å; D83-K86 PolarHBondContact O-N 3.03Å; D83-K86 VanDerWaalsContact O-N 3.11Å |
| 84 | A | 55.3 | Low | 61.9 | Low | 69 Ų | 69 | 117.7 Ų | 117.7 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -60.8 | -21.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L82 K86 S87 A90 | L82-A84 PolarHBondContact O-N 2.8Å; A84-K86 PolarHBondContact O-N 3.46Å; A84-K86 VanDerWaalsContact O-N 3.15Å; A84-S87 PolarHBondContact O-N 3.33Å; A84-A90 WeakPolarHBondContact O-CB 3.23Å |
| 85 | K | 55.9 | Low | 63.6 | Low | 172 Ų | 172 | 115.3 Ų | 115.3 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -70.6 | 2.3 | 177 | 48.6 | -179.2 | 166.3 | -178.5 | 0 | 115 | D83 | D83-K85 PolarHBondContact O-N 3.37Å; D83-K85 WeakPolarHBondContact OD1-CE 3.34Å; D83-K85 WeakPolarHBondContact OD1-CG 3.5Å; D83-K85 IonicContact OD1-NZ 3.91Å; D83-K85 WeakPolarHBondContact OD2-CE 3.41Å; D83-K85 WeakPolarHBondContact OD2-CG 3.45Å |
| 86 | K | 63.1 | Low | 65.9 | Low | 181 Ų | 181 | 113.7 Ų | 113.7 | 79% | 0.787 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -129.6 | 6.1 | 172.6 | -81.4 | 177.3 | 178.5 | 170.4 | 0 | 115.9 | D83 A84 | D83-K86 PolarHBondContact O-N 3.03Å; D83-K86 VanDerWaalsContact O-N 3.11Å; A84-K86 PolarHBondContact O-N 3.46Å; A84-K86 VanDerWaalsContact O-N 3.15Å |
| 87 | S | 75.9 | Confident | 67.7 | Low | 52 Ų | 52 | 110.9 Ų | 110.9 | 36% | 0.364 | 62% | 0.621 | S | S | . | * | | | trans | -72.7 | 130.7 | 170.9 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | A84 L89 A90 L91 | A84-S87 PolarHBondContact O-N 3.33Å; S87-L89 PolarHBondContact O-N 3.45Å; S87-L89 PolarHBondContact OG-N 3.13Å; S87-A90 WeakPolarHBondContact O-CB 3.21Å; S87-A90 PolarHBondContact O-N 2.74Å; S87-L91 PolarHBondContact O-N 3.41Å |
| 88 | P | 84.6 | Confident | 68.5 | Low | 101 Ų | 101 | 109 Ų | 109 | 66% | 0.656 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.5 | -33.5 | 173.6 | -25.8 | 34.9 | 0 | 0 | 0 | 112.8 | L91 L92 | P88-L91 PolarHBondContact O-N 2.79Å; P88-L92 WeakPolarHBondContact O-CG 3.33Å; P88-L92 PolarHBondContact O-N 3.01Å |
| 89 | L | 84.6 | Confident | 69.9 | Low | 131 Ų | 131 | 110.7 Ų | 110.7 | 69% | 0.686 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.5 | -34.4 | 177.5 | -159.7 | 71.4 | 0 | 0 | 0 | 112 | S87 A93 | S87-L89 PolarHBondContact O-N 3.45Å; S87-L89 PolarHBondContact OG-N 3.13Å; L89-A93 WeakPolarHBondContact O-CB 3.49Å; L89-A93 PolarHBondContact O-N 2.78Å |
| 90 | A | 81.1 | Confident | 70.5 | Confident | 33 Ų | 33 | 108.2 Ų | 108.2 | 27% | 0.273 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.2 | -35.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A84 S87 A93 Q94 | A84-A90 WeakPolarHBondContact O-CB 3.23Å; S87-A90 WeakPolarHBondContact O-CB 3.21Å; S87-A90 PolarHBondContact O-N 2.74Å; A90-A93 PolarHBondContact O-N 2.91Å; A90-Q94 WeakPolarHBondContact O-CB 3.4Å; A90-Q94 PolarHBondContact O-N 2.95Å |
| 91 | L | 82.9 | Confident | 71.3 | Confident | 109 Ų | 109 | 107.5 Ų | 107.5 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.7 | -40.8 | 172.6 | -178.1 | 62.6 | 0 | 0 | 0 | 111.6 | S87 P88 Q94 T95 | S87-L91 PolarHBondContact O-N 3.41Å; P88-L91 PolarHBondContact O-N 2.79Å; L91-Q94 PolarHBondContact O-N 3.4Å; L91-T95 WeakPolarHBondContact O-CB 3.46Å; L91-T95 PolarHBondContact O-N 3.49Å; L91-T95 PolarHBondContact O-OG1 3.03Å |
| 92 | L | 86.4 | Confident | 71.2 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.1 | -49.7 | 170.8 | -72.3 | 169.1 | 0 | 0 | 0 | 111.2 | P88 Q94 T95 C96 | P88-L92 WeakPolarHBondContact O-CG 3.33Å; P88-L92 PolarHBondContact O-N 3.01Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.3Å; L92-T95 PolarHBondContact O-N 2.81Å; L92-T95 VanDerWaalsContact O-N 3.14Å; L92-C96 PolarHBondContact O-N 3.47Å; L92-C96 PolarHBondContact O-SG 2.93Å; L92-C96 VanDerWaalsContact O-SG 3.35Å |
| 93 | A | 82.6 | Confident | 70.7 | Confident | 62 Ų | 62 | 104.8 Ų | 104.8 | 51% | 0.512 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.9 | -39.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L89 A90 S97 | L89-A93 WeakPolarHBondContact O-CB 3.49Å; L89-A93 PolarHBondContact O-N 2.78Å; A90-A93 PolarHBondContact O-N 2.91Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.37Å |
| 94 | Q | 78.8 | Confident | 71 | Confident | 125 Ų | 125 | 105.2 Ų | 105.2 | 58% | 0.584 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.1 | -42.7 | 174.3 | -178.2 | 176.5 | -11.4 | 0 | 0 | 111.5 | A90 L91 L92 S97 Q98 | A90-Q94 WeakPolarHBondContact O-CB 3.4Å; A90-Q94 PolarHBondContact O-N 2.95Å; L91-Q94 PolarHBondContact O-N 3.4Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.3Å; Q94-S97 WeakPolarHBondContact O-CB 3.29Å; Q94-S97 PolarHBondContact O-N 3.02Å; Q94-Q98 PolarHBondContact O-N 2.71Å |
| 95 | T | 78.5 | Confident | 70.5 | Confident | 70 Ų | 70 | 107.4 Ų | 107.4 | 43% | 0.429 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.7 | -46.6 | 177.5 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | L91 L92 S97 Q98 I99 | L91-T95 WeakPolarHBondContact O-CB 3.46Å; L91-T95 PolarHBondContact O-N 3.49Å; L91-T95 PolarHBondContact O-OG1 3.03Å; L92-T95 PolarHBondContact O-N 2.81Å; L92-T95 VanDerWaalsContact O-N 3.14Å; T95-S97 VanDerWaalsContact C-N 3.29Å; T95-S97 PolarHBondContact O-N 2.88Å; T95-Q98 WeakPolarHBondContact O-CB 3.38Å; T95-Q98 PolarHBondContact O-N 3.38Å; T95-I99 HydrophobicContact CG2-CD1 4.17Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 3.17Å |
| 96 | C | 81.6 | Confident | 70 | Confident | 88 Ų | 88 | 105.5 Ų | 105.5 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61 | -34.7 | 172.3 | -66 | 0 | 0 | 0 | 0 | 112.7 | L92 Q98 I99 | L92-C96 PolarHBondContact O-N 3.47Å; L92-C96 PolarHBondContact O-SG 2.93Å; L92-C96 VanDerWaalsContact O-SG 3.35Å; C96-Q98 VanDerWaalsContact C-N 3.28Å; C96-Q98 PolarHBondContact O-N 2.92Å; C96-I99 PolarHBondContact O-N 2.94Å |
| 97 | S | 79.7 | Confident | 68.8 | Low | 65 Ų | 65 | 102.5 Ų | 102.5 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.2 | -23.1 | 174.4 | -165.6 | 0 | 0 | 0 | 0 | 112.9 | A93 Q94 T95 K101 | A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.37Å; Q94-S97 WeakPolarHBondContact O-CB 3.29Å; Q94-S97 PolarHBondContact O-N 3.02Å; T95-S97 VanDerWaalsContact C-N 3.29Å; T95-S97 PolarHBondContact O-N 2.88Å; S97-K101 WeakPolarHBondContact O-CD 3.27Å; S97-K101 WeakPolarHBondContact O-CE 3.33Å; S97-K101 PolarHBondContact O-NZ 3.21Å; S97-K101 PolarHBondContact OG-NZ 2.93Å |
| 98 | Q | 69.5 | Low | 67.1 | Low | 131 Ų | 131 | 105.1 Ų | 105.1 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.9 | -32.8 | 177.1 | -146 | 68.4 | 0.8 | 0 | 0 | 111.8 | Q94 T95 C96 G100 | Q94-Q98 PolarHBondContact O-N 2.71Å; T95-Q98 WeakPolarHBondContact O-CB 3.38Å; T95-Q98 PolarHBondContact O-N 3.38Å; C96-Q98 VanDerWaalsContact C-N 3.28Å; C96-Q98 PolarHBondContact O-N 2.92Å; Q98-G100 PolarHBondContact O-N 3.48Å |
| 99 | I | 66.6 | Low | 65.1 | Low | 133 Ų | 133 | 109.4 Ų | 109.4 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 87 | 177.2 | -59.1 | 162.4 | 0 | 0 | 0 | 109.5 | T95 C96 | T95-I99 HydrophobicContact CG2-CD1 4.17Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 3.17Å; C96-I99 PolarHBondContact O-N 2.94Å |
| 100 | G | 61 | Low | 63.1 | Low | 76 Ų | 76 | 110.6 Ų | 110.6 | 78% | 0.784 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.8 | -5.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q98 | Q98-G100 PolarHBondContact O-N 3.48Š|
| 101 | K | 61.8 | Low | 60.8 | Low | 119 Ų | 119 | 114.3 Ų | 114.3 | 52% | 0.517 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -87.6 | 133.3 | 172.2 | -66.1 | 166.5 | -175 | 140.2 | 0 | 109.5 | S97 | S97-K101 WeakPolarHBondContact O-CD 3.27Å; S97-K101 WeakPolarHBondContact O-CE 3.33Å; S97-K101 PolarHBondContact O-NZ 3.21Å; S97-K101 PolarHBondContact OG-NZ 2.93Å |
| 102 | P | 52.3 | Low | 58.4 | Low | 126 Ų | 126 | 114.3 Ų | 114.3 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 141 | 171.6 | 28.9 | -33.6 | 0 | 0 | 0 | 110.4 | | |
| 103 | D | 45.7 | Very low | 56.1 | Low | 158 Ų | 158 | 116.5 Ų | 116.5 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 127.3 | -172.7 | -154.3 | 22.2 | 0 | 0 | 0 | 111.1 | | |
| 104 | P | 64.1 | Low | 53.7 | Low | 99 Ų | 99 | 120.1 Ų | 120.1 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 149 | 172.8 | 30.5 | -34.2 | 0 | 0 | 0 | 110.9 | | |
| 105 | P | 42.9 | Very low | 51.6 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 75% | 0.747 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 146.3 | -174.5 | 27.1 | -35.3 | 0 | 0 | 0 | 112.5 | S107 | P105-S107 PolarHBondContact O-N 3.39Š|
| 106 | P | 46.1 | Very low | 49.3 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 120.1 | -171.3 | 29 | -35.2 | 0 | 0 | 0 | 112.8 | | |
| 107 | S | 37.4 | Very low | 46.8 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -121.2 | 125.1 | 164.2 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | P105 | P105-S107 PolarHBondContact O-N 3.39Š|
| 108 | S | 41.3 | Very low | 44.8 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -99.2 | 139.7 | -168.2 | -62.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 109 | K | 41.5 | Very low | 42.9 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | 87.6 | 100.7 | 161.7 | -57.2 | 176.9 | 179.9 | 178.5 | 0 | 119.5 | | |
| 110 | L | 42.4 | Very low | 41.4 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | | 70.9 | 127.6 | 124 | -69.7 | 161.8 | 0 | 0 | 0 | 122.1 | | |
| 111 | S | 33.9 | Very low | 40.2 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | 70.1 | 147.9 | 148.7 | -60.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 112 | S | 33.2 | Very low | 38.9 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | cis | -164.7 | 163.8 | -10.4 | 41.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 113 | I | 36.7 | Very low | 38.1 | Very low | 156 Ų | 156 | 133 Ų | 133 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | | | trans | -14.3 | 122.2 | 168.3 | -71.7 | 160.5 | 0 | 0 | 0 | 117.2 | | |
| 114 | T | 32.6 | Very low | 37.8 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | | -176.3 | 174.6 | 124.7 | 21.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 115 | S | 34.1 | Very low | 36.4 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | | | trans | -75.9 | 157.3 | -166.6 | 53.1 | 0 | 0 | 0 | 0 | 119 | | |
| 116 | N | 31.8 | Very low | 36.1 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | 57.8 | 144 | 145 | -65.9 | 9.7 | 0 | 0 | 0 | 121.1 | | |
| 117 | G | 29.1 | Very low | 36.2 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | | | trans | 137.9 | 96.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 118 | S | 36.4 | Very low | 36.1 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -53.2 | 139.9 | 162.5 | 152.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 119 | S | 31.1 | Very low | 35.9 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | | -174.3 | 150.8 | 129.4 | 40.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 120 | D | 33.8 | Very low | 35.6 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -92.1 | 177.7 | 177.8 | -56.7 | -99.9 | 0 | 0 | 0 | 114.1 | | |
| 121 | K | 35.9 | Very low | 35.6 | Very low | 194 Ų | 194 | 134 Ų | 134 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | 96.2 | 107.2 | 157.1 | -64.1 | -172.4 | 174.2 | -176.5 | 0 | 119.9 | | |
| 122 | E | 34.7 | Very low | 35.9 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | | 46.4 | 122.3 | 115 | -170.3 | 167.8 | 83.4 | 0 | 0 | 119.7 | | |
| 123 | S | 34.7 | Very low | 36.3 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | -144 | 149.4 | 147.5 | -80.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 124 | K | 39.5 | Very low | 36.4 | Very low | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -141.5 | 119.1 | -150.7 | 169.7 | -177.5 | 174.2 | 177.4 | 0 | 112.6 | | |
| 125 | S | 35.6 | Very low | 37.1 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -157.6 | 138.4 | 161.9 | 49 | 0 | 0 | 0 | 0 | 112 | | |
| 126 | G | 36.5 | Very low | 37.6 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -131.4 | -150 | 156.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 127 | P | 47.3 | Very low | 38 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | cis | -131.8 | -154.3 | -6.9 | 34.6 | -12.5 | 0 | 0 | 0 | 111.5 | | |
| 128 | L | 35.7 | Very low | 38.9 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 76.9 | 161.4 | 168.5 | -42.5 | 177.3 | 0 | 0 | 0 | 117.3 | | |
| 129 | K | 36.7 | Very low | 39.4 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | | -173.6 | 134.7 | -51.3 | -163.4 | -171.6 | 171.4 | -161.9 | 0 | 107.4 | | |
| 130 | M | 36.4 | Very low | 40.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | | | trans | 65.4 | 152.2 | 178.4 | -62.6 | 126.2 | 62.9 | 0 | 0 | 113.3 | | |
| 131 | S | 41.1 | Very low | 40.2 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | cis | -141.6 | 171.3 | 32.4 | -63.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 132 | D | 42.2 | Very low | 40.9 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -101.9 | -176.4 | 171 | 176.8 | -140.6 | 0 | 0 | 0 | 110.5 | | |
| 133 | I | 39.8 | Very low | 41.1 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | 78.3 | 127.2 | 177.2 | -56.9 | 105.3 | 0 | 0 | 0 | 114.5 | | |
| 134 | G | 40 | Very low | 41.3 | Very low | 65 Ų | 65 | 142.9 Ų | 142.9 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | | | trans | -88.8 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 135 | V | 46.8 | Very low | 41.3 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | trans | -129.9 | 117.9 | 161 | -76.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 136 | D | 45.3 | Very low | 41.7 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | -74.1 | 146.2 | 170.7 | 39.3 | -75.8 | 0 | 0 | 0 | 112.1 | | |
| 137 | D | 40 | Very low | 42 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | | | trans | -154.8 | 148.8 | 165.6 | -173.8 | -152.5 | 0 | 0 | 0 | 111.4 | | |
| 138 | K | 46.9 | Very low | 41.4 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 61.7 | 95.9 | 171 | -79.2 | 156.1 | -169.3 | 69.6 | 0 | 119.6 | | |
| 139 | S | 48.1 | Very low | 41.5 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 76.6 | 103.3 | 133 | -149.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 140 | S | 45.1 | Very low | 41.6 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | cis | 68.3 | 78.8 | 32.8 | -156.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 141 | F | 36.3 | Very low | 41.6 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | -156.1 | 95.1 | 146.8 | -134.2 | -83.8 | 0 | 0 | 0 | 113.4 | | |
| 142 | K | 50.2 | Low | 41.1 | Very low | 208 Ų | 208 | 146.6 Ų | 146.6 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | -152.8 | 107.6 | 163.2 | -81 | -173.3 | -178.4 | 171.2 | 0 | 110.9 | | |
| 143 | P | 38.9 | Very low | 40.8 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 58% | 0.584 | 77% | 0.77 | S | S | * | * | | | trans | -122.3 | 109.6 | 158.2 | 32.4 | -18.8 | 0 | 0 | 0 | 111.3 | S145 | P143-S145 PolarHBondContact O-N 3.26Š|
| 144 | Y | 39.5 | Very low | 40.6 | Very low | 248 Ų | 248 | 142.1 Ų | 142.1 | 97% | 0.973 | 77% | 0.767 | S | S | * | * | | | trans | -74.2 | 107.6 | 152.1 | -101.3 | -85.4 | 0 | 0 | 0 | 106.9 | | |
| 145 | S | 39.9 | Very low | 40.4 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | -148.7 | 92.3 | 177.2 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | P143 | P143-S145 PolarHBondContact O-N 3.26Š|
| 146 | K | 43.4 | Very low | 39.7 | Very low | 209 Ų | 209 | 141 Ų | 141 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -82 | 140.9 | 149.5 | -68.9 | -174.1 | 174.8 | -172.9 | 0 | 107.1 | | |
| 147 | P | 42.2 | Very low | 39.1 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | | -147.4 | 161.3 | 108.8 | 39 | -25.4 | 0 | 0 | 0 | 115.4 | | |
| 148 | S | 34.1 | Very low | 39 | Very low | 93 Ų | 93 | 142 Ų | 142 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | 39.7 | 113.8 | 150 | 62 | 0 | 0 | 0 | 0 | 120.2 | | |
| 149 | D | 38.5 | Very low | 38.4 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | | 82.3 | 115.1 | 56.1 | -68 | -51 | 0 | 0 | 0 | 115.4 | | |
| 150 | K | 38.5 | Very low | 37.7 | Very low | 210 Ų | 210 | 137.5 Ų | 137.5 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | | | trans | 172 | 143.8 | 153.9 | -94.7 | 147.9 | -170.9 | 171.8 | 0 | 107 | | |
| 151 | K | 36.9 | Very low | 37.3 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | cis | -167 | 128.9 | 0.6 | 153 | -179.6 | 172.5 | -172.2 | 0 | 105.6 | | |
| 152 | D | 30.9 | Very low | 37.4 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | | | | 178.3 | 157 | 90.9 | -101.8 | -38.4 | 0 | 0 | 0 | 106.6 | | |
| 153 | S | 36.1 | Very low | 37 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | cis | -153.4 | 156.4 | 10.1 | -101.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 154 | S | 34.5 | Very low | 36.7 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | 51.7 | 123.9 | 150.4 | 60.5 | 0 | 0 | 0 | 0 | 123 | | |
| 155 | S | 36.3 | Very low | 36.4 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | 55.9 | 131.2 | 150.2 | 50.7 | 0 | 0 | 0 | 0 | 119 | | |
| 156 | G | 31.5 | Very low | 36.5 | Very low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | 86.5 | 127 | 31.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 157 | V | 32.6 | Very low | 36.3 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | cis | -159.1 | 162.9 | 30.6 | 150.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 158 | L | 37.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | | | trans | 81 | 158.5 | 165.8 | -87.1 | 165.8 | 0 | 0 | 0 | 120 | | |
| 159 | S | 36.1 | Very low | 36.4 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -118.3 | 149.9 | -171.7 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 160 | G | 33.1 | Very low | 36.1 | Very low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | | | trans | 155 | 105.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 161 | E | 35.7 | Very low | 35.9 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | | | trans | 35.8 | 128.4 | 140 | 51.5 | 155.7 | 115.3 | 0 | 0 | 122.3 | | |
| 162 | K | 39.2 | Very low | 35.5 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | 105.5 | 130.6 | 139.3 | 98.2 | -162.3 | 124.4 | -69.1 | 0 | 120.6 | | |
| 163 | T | 40.5 | Very low | 35.7 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | trans | 72.4 | 140.4 | 155.5 | 60.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 164 | G | 33.3 | Very low | 36.1 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | 96.7 | 115.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 165 | F | 33.8 | Very low | 36 | Very low | 216 Ų | 216 | 132.4 Ų | 132.4 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | | | cis | -124.3 | 159.5 | 6 | -110.2 | -111 | 0 | 0 | 0 | 112.1 | | |
| 166 | R | 41.1 | Very low | 36.4 | Very low | 225 Ų | 225 | 132.6 Ų | 132.6 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | | | trans | -89.7 | 148.2 | 177.4 | -65.9 | -173.9 | -175.4 | -176.2 | 2.5 | 112.4 | | |
| 167 | V | 40.2 | Very low | 36.6 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | | | trans | -124.1 | 110.3 | 148.8 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 168 | P | 41.4 | Very low | 36.7 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | trans | -81.3 | 153 | 174 | -14 | 31.3 | 0 | 0 | 0 | 112.9 | | |
| 169 | S | 35.6 | Very low | 36.5 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -137.7 | 145.1 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 170 | A | 33.3 | Very low | 36.1 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | -166.1 | 153.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 171 | T | 33.6 | Very low | 36.1 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | cis | 132.7 | 141.3 | -5.4 | -81.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 172 | C | 29.8 | Very low | 36.6 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | 68.2 | 158.5 | 179.2 | -68.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 173 | Q | 34.6 | Very low | 36.2 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | | | cis | -157.6 | 167.5 | -31 | -117.2 | -153.1 | -2.7 | 0 | 0 | 108.3 | | |
| 174 | P | 44.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | trans | -87.9 | 121.2 | -176.9 | 33.5 | -31.4 | 0 | 0 | 0 | 113.2 | | |
| 175 | F | 31.6 | Very low | 35.8 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | trans | -140.8 | 150.1 | 167.8 | -87.4 | -80.2 | 0 | 0 | 0 | 113.1 | | |
| 176 | T | 45 | Very low | 35.6 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -79.8 | 159.3 | 178 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 177 | P | 35 | Very low | 35.2 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -116.4 | 130.8 | 143.1 | 34 | -26 | 0 | 0 | 0 | 112.4 | | |
| 178 | R | 34.9 | Very low | 34.8 | Very low | 211 Ų | 211 | 122.3 Ų | 122.3 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -92.2 | 155.2 | 152.6 | -65.7 | 177.2 | 78 | -140.5 | 9.1 | 107.9 | | |
| 179 | T | 32.8 | Very low | 34.3 | Very low | 127 Ų | 127 | 122 Ų | 122 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | 47.8 | 120.6 | 148.1 | 52.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 180 | G | 28.9 | Very low | 34.7 | Very low | 82 Ų | 82 | 121.9 Ų | 121.9 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | trans | 141.3 | 108.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 181 | S | 32.2 | Very low | 35 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -89.8 | 179.2 | 151.7 | -33.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 182 | P | 47.3 | Very low | 35.2 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | cis | -134 | -156.8 | -7.2 | 34 | -10.7 | 0 | 0 | 0 | 113 | | |
| 183 | N | 31 | Very low | 35.3 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | 82.4 | 131.2 | 165.8 | -52.8 | -14.7 | 0 | 0 | 0 | 116.4 | | |
| 184 | S | 32.1 | Very low | 34.9 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | cis | 86.1 | 132.5 | 33.3 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 185 | S | 31.8 | Very low | 34.2 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | cis | -169 | 170.8 | -3.3 | -87.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 186 | T | 31.1 | Very low | 34.1 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | 69 | 160.9 | 146.9 | 33.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 187 | S | 32 | Very low | 33.4 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | cis | -162.5 | 149.9 | -0.9 | 42.2 | 0 | 0 | 0 | 0 | 114 | | |
| 188 | A | 30.7 | Very low | 33.3 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | | | trans | -160.9 | 111.9 | 138.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 189 | S | 32.4 | Very low | 33 | Very low | 103 Ų | 103 | 117 Ų | 117 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | | 84.9 | 138.8 | 57.5 | -67 | 0 | 0 | 0 | 0 | 112.7 | | |
| 190 | P | 44.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | cis | -132.9 | 140.6 | 31.5 | 38.5 | -21.3 | 0 | 0 | 0 | 118.6 | | |
| 191 | M | 39.1 | Very low | 33.6 | Very low | 143 Ų | 143 | 123 Ų | 123 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | | | | 36.1 | 139 | 124.9 | -72.9 | -71.3 | 93.6 | 0 | 0 | 121.9 | S193 | M191-S193 PolarHBondContact SD-N 3.3Š|
| 192 | P | 36.8 | Very low | 33.8 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | | -129.9 | 136.1 | 53 | 37.6 | -23.7 | 0 | 0 | 0 | 119 | | |
| 193 | S | 31.9 | Very low | 33.5 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | 25.2 | 123.7 | 145.8 | -50.5 | 0 | 0 | 0 | 0 | 122.3 | M191 G195 | M191-S193 PolarHBondContact SD-N 3.3Å; S193-G195 PolarHBondContact O-N 3.43Å |
| 194 | E | 26.6 | Very low | 33.8 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | | | trans | -69.5 | 119.7 | 140.6 | -74.3 | -172.4 | 171.7 | 0 | 0 | 110.4 | | |
| 195 | G | 31.5 | Very low | 33.9 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | | | trans | -89.4 | 107.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S193 | S193-G195 PolarHBondContact O-N 3.43Š|
| 196 | K | 29.5 | Very low | 34.2 | Very low | 195 Ų | 195 | 126.1 Ų | 126.1 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | | | trans | -7.7 | 137.1 | 163.5 | -172.3 | 86 | 72.8 | 178.8 | 0 | 117.2 | | |
| 197 | C | 30 | Very low | 34.4 | Very low | 124 Ų | 124 | 127 Ų | 127 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | | | trans | 75.4 | 142.6 | 171.5 | -125.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 198 | G | 32.3 | Very low | 34.7 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | | | cis | 135.6 | 157.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 199 | D | 29 | Very low | 34.9 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 64% | 0.642 | 73% | 0.726 | S | S | * | * | | | trans | 65.1 | 147.7 | 165.2 | -164.1 | -155.3 | 0 | 0 | 0 | 118 | | |
| 200 | R | 39.8 | Very low | 35.3 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | trans | 60.7 | 161.8 | 172.4 | -69.6 | -164.8 | -175.4 | 68.7 | 26.7 | 118.2 | | |
| 201 | E | 34.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | | | cis | -176.7 | 162.3 | -37.2 | -112.8 | 179.3 | 126.1 | 0 | 0 | 103.6 | | |
| 202 | D | 37.1 | Very low | 34.2 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | | | trans | 63.9 | 152.1 | 160.5 | -91.9 | -19.8 | 0 | 0 | 0 | 116.1 | | |
| 203 | K | 39.1 | Very low | 34 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | | | cis | 172.6 | 156 | -2.3 | 167.1 | -174.4 | -115.5 | 92.4 | 0 | 107.8 | | |
| 204 | K | 39 | Very low | 34.1 | Very low | 154 Ų | 154 | 132 Ų | 132 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | | | trans | 67 | 138.6 | 162.8 | -95.9 | 49.4 | -141.6 | -26.3 | 0 | 116.3 | | |
| 205 | D | 33.6 | Very low | 34.4 | Very low | 109 Ų | 109 | 130 Ų | 130 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | | | cis | -176.8 | -177.7 | -16.7 | -124.2 | -157.3 | 0 | 0 | 0 | 109.9 | | |
| 206 | S | 38.8 | Very low | 34.4 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | trans | 67.5 | 91.3 | 148.2 | -65.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 207 | D | 34.4 | Very low | 34.9 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | | | | -2.3 | 128.8 | 110.9 | -62.4 | -103.2 | 0 | 0 | 0 | 116.7 | | |
| 208 | C | 37.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 125 Ų | 125 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | | | | 175.1 | 165.4 | 105.5 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 209 | N | 34.9 | Very low | 35.1 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | | | cis | -177.9 | 163.2 | -31.3 | -173.1 | 1.2 | 0 | 0 | 0 | 106.2 | | |
| 210 | K | 40.4 | Very low | 35.4 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | | | trans | 68.1 | 110.3 | 156.4 | -85.5 | 158.8 | -178.6 | 176.2 | 0 | 122.4 | | |
| 211 | N | 31.1 | Very low | 35.2 | Very low | 162 Ų | 162 | 127 Ų | 127 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | | | | 80.2 | 149.6 | 117.4 | -66.9 | 24.1 | 0 | 0 | 0 | 122.8 | | |
| 212 | G | 30.5 | Very low | 35.3 | Very low | 66 Ų | 66 | 124.2 Ų | 124.2 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | | | trans | 124.8 | 110.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 213 | T | 32.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 127 Ų | 127 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | | | cis | 62.2 | 119.7 | 33 | -99.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 214 | T | 33.3 | Very low | 35.2 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | cis | -153.4 | 168.6 | 14.6 | 9.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 215 | D | 33.3 | Very low | 35.2 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | 31.4 | 133.3 | 151.1 | -60.7 | -61.3 | 0 | 0 | 0 | 122.5 | | |
| 216 | G | 31.4 | Very low | 35.3 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | | | trans | 176.7 | 107.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 217 | S | 38.6 | Very low | 34.8 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | | | trans | -75.6 | 131.6 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 218 | G | 31.2 | Very low | 34.7 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | -160.7 | 120.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 219 | T | 36.2 | Very low | 34.5 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -88.4 | 135.6 | -177.8 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 220 | T | 35.2 | Very low | 34.6 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | -168.1 | 127.3 | 147.4 | 7.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 221 | N | 35.7 | Very low | 34.3 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | | | trans | 61.9 | 130.7 | 134.4 | -150.2 | 19.5 | 0 | 0 | 0 | 123.7 | | |
| 222 | S | 36.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | | | trans | 57.7 | 98.3 | 146.1 | 61.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 223 | H | 36.1 | Very low | 34.8 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | -121.8 | 155.3 | 142.1 | -59.9 | -91.7 | 0 | 0 | 0 | 107.7 | | |
| 224 | S | 37.3 | Very low | 34.7 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | cis | -139.5 | 155.6 | 9.7 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 225 | R | 39.6 | Very low | 34.7 | Very low | 245 Ų | 245 | 131.8 Ų | 131.8 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -115.2 | 123 | 158.2 | -74.6 | -83.4 | -84.8 | -91.6 | -1.1 | 107.9 | | |
| 226 | I | 37 | Very low | 34.6 | Very low | 163 Ų | 163 | 132 Ų | 132 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | | | trans | -78.2 | 131.2 | 176.1 | -60.7 | 171.1 | 0 | 0 | 0 | 108.3 | | |
| 227 | S | 27.1 | Very low | 34.4 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -151.4 | 120.6 | 160.3 | -163.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 228 | V | 33.4 | Very low | 33.9 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -107.2 | 124.3 | 175.8 | -76.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 229 | S | 33.5 | Very low | 33.9 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | | | trans | -96.4 | 145 | 171.9 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 230 | C | 36.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 137 Ų | 137 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -127.4 | 145.6 | -178.9 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 231 | G | 33.8 | Very low | 33.4 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | 117 | 134.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 232 | G | 33.9 | Very low | 32.9 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | cis | 174.7 | 140.3 | -6.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 233 | I | 37.1 | Very low | 32.6 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | | | trans | -119 | 127.1 | 179.7 | 53.8 | 169 | 0 | 0 | 0 | 111.4 | | |
| 234 | N | 32.3 | Very low | 33 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -122.5 | 134.8 | 158.2 | -175.6 | -2.5 | 0 | 0 | 0 | 105.6 | | |
| 235 | V | 33.4 | Very low | 32.5 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -140.1 | 123.3 | 179.2 | -179 | 0 | 0 | 0 | 0 | 107.9 | | |
| 236 | E | 29.8 | Very low | 32.2 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | trans | -123.7 | 124 | -174.6 | -166.8 | -175.2 | 93.3 | 0 | 0 | 111 | | |
| 237 | V | 28.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | | | trans | 71.8 | 148.4 | 147.4 | 164.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 238 | N | 28.1 | Very low | 32 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | | | trans | 79.3 | 140.7 | 165.5 | -77.1 | -16.3 | 0 | 0 | 0 | 118.3 | | |
| 239 | Q | 31.6 | Very low | 32.3 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | cis | -158.4 | 173.1 | 6.3 | -127.6 | 178.3 | 155.5 | 0 | 0 | 110.1 | | |
| 240 | H | 30.4 | Very low | 32.1 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 59% | 0.593 | 77% | 0.768 | S | S | * | * | | | cis | -161.1 | 161.8 | 0.6 | -160 | 44 | 0 | 0 | 0 | 109 | | |
| 241 | Q | 30.4 | Very low | 31.9 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | | | trans | 59.7 | 136.6 | 145.5 | -147.7 | 145 | 52.5 | 0 | 0 | 119.7 | | |
| 242 | E | 24.9 | Very low | 31.5 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | | | cis | -130.4 | 178.8 | 24.7 | -75.6 | -82.2 | 52.4 | 0 | 0 | 113.8 | | |
| 243 | T | 30.6 | Very low | 31.3 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -135.1 | -177.6 | 177.1 | 15.1 | 0 | 0 | 0 | 0 | 111 | | |
| 244 | P | 44.4 | Very low | 31 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | cis | -126.9 | 173.4 | -1.3 | 40.8 | -25.1 | 0 | 0 | 0 | 115.7 | | |
| 245 | G | 26.7 | Very low | 30.8 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | trans | -159.8 | 31.1 | -172 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 246 | S | 31.7 | Very low | 30.6 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | 59.3 | 117.6 | 159.1 | -64.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 247 | K | 31.2 | Very low | 30.6 | Very low | 205 Ų | 205 | 125 Ų | 125 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | | | trans | 74.8 | 111.4 | 148.9 | -63 | -174 | 177.5 | -177.4 | 0 | 120.7 | | |
| 248 | A | 29 | Very low | 30.7 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | | | trans | -80.2 | -172.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 249 | P | 40.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | cis | -141.8 | -169.9 | 8.6 | 44.1 | -24.8 | 0 | 0 | 0 | 116.8 | | |
| 250 | S | 29 | Very low | 30.9 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | 72.9 | 144.1 | 149.7 | 66.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 251 | S | 32.8 | Very low | 31.3 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | cis | -163.5 | 172.2 | -11 | -106.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 252 | E | 26.6 | Very low | 31.4 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -40.3 | 168.1 | 162.1 | 64 | -114.6 | 63 | 0 | 0 | 116.7 | | |
| 253 | S | 29.7 | Very low | 32.1 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | cis | -169.8 | -175.9 | -16.5 | -99.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 254 | S | 29.9 | Very low | 32.1 | Very low | 106 Ų | 106 | 114.2 Ų | 114.2 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -4.7 | 139.6 | 156.3 | 60.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 255 | S | 27.6 | Very low | 31.7 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | | -172.8 | 167.2 | 67.6 | 42.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 256 | I | 29.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 117.3 Ų | 117.3 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | -49.8 | 165.7 | 162.1 | 59.6 | 172.4 | 0 | 0 | 0 | 113.4 | | |
| 257 | T | 30.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 118 Ų | 118 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | cis | -166.4 | 174.8 | 21 | -18.8 | 0 | 0 | 0 | 0 | 112 | | |
| 258 | S | 29.5 | Very low | 32.5 | Very low | 110 Ų | 110 | 111.1 Ų | 111.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | 98.2 | 121.3 | 143.4 | -64.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 259 | A | 28.6 | Very low | 33 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | | 71.3 | 95.5 | 127.5 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 260 | S | 35.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 116.8 Ų | 116.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | | 38 | 111.9 | 119.9 | -50.6 | 0 | 0 | 0 | 0 | 123.8 | | |
| 261 | S | 38.8 | Very low | 33 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | | 52.2 | 128.5 | 126.7 | 67.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 262 | A | 32.7 | Very low | 33.6 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -153.3 | 163.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 263 | S | 39.6 | Very low | 33.8 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -126.4 | 160.9 | 174.7 | -54 | 0 | 0 | 0 | 0 | 110.6 | | |
| 264 | G | 29.8 | Very low | 33.9 | Very low | 68 Ų | 68 | 116.1 Ų | 116.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -177.4 | 157 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 265 | L | 37.9 | Very low | 34.8 | Very low | 187 Ų | 187 | 116.1 Ų | 116.1 | 98% | 0.979 | 80% | 0.796 | S | S | * | * | | | trans | 70.2 | 141.9 | 176.7 | -45.5 | -177.4 | 0 | 0 | 0 | 115.6 | | |
| 266 | G | 34.4 | Very low | 35 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | cis | -143.3 | -172.8 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 267 | S | 37 | Very low | 35.3 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -134.4 | 145 | -166.4 | -176.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 268 | G | 33.2 | Very low | 35.8 | Very low | 61 Ų | 61 | 124.1 Ų | 124.1 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | | | trans | 100.5 | 105 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 269 | L | 40.3 | Very low | 36 | Very low | 180 Ų | 180 | 122.2 Ų | 122.2 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | | | trans | -152.2 | 164.6 | 133.6 | -81 | -165.1 | 0 | 0 | 0 | 108.8 | | |
| 270 | V | 33.4 | Very low | 36.4 | Very low | 140 Ų | 140 | 126 Ų | 126 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -138.3 | 146.1 | -157.3 | 163.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 271 | A | 35.3 | Very low | 36.5 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | 72.2 | 163.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 272 | P | 45.4 | Very low | 36.4 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | cis | -130.7 | 153.7 | -15 | 22.6 | 0.2 | 0 | 0 | 0 | 117.1 | | |
| 273 | V | 31.3 | Very low | 36.8 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | 35.4 | 135 | 135.9 | -163.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 274 | S | 31.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -69.3 | -163.8 | 171.2 | -31.8 | 0 | 0 | 0 | 0 | 115 | | |
| 275 | P | 48.4 | Very low | 37.5 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | | | cis | -139.4 | -172.5 | -9.7 | 30.1 | -4.8 | 0 | 0 | 0 | 116.7 | | |
| 276 | Y | 31.4 | Very low | 38.1 | Very low | 219 Ų | 219 | 130.9 Ų | 130.9 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | 69.7 | 119.9 | 157.5 | -87.3 | -76.2 | 0 | 0 | 0 | 122.9 | | |
| 277 | K | 35.9 | Very low | 38.7 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | | -176.8 | 169.7 | 104.2 | -100.4 | -155.5 | 172.8 | -177.7 | 0 | 113.8 | | |
| 278 | P | 42.2 | Very low | 38.7 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | trans | -122.3 | 167.1 | -160.8 | 43.3 | -33.2 | 0 | 0 | 0 | 118.1 | | |
| 279 | G | 33.5 | Very low | 38.8 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 161.6 | 120.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 280 | Q | 36.4 | Very low | 38.6 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | | 86.1 | 88.8 | 61.6 | -88 | -73.2 | 17.8 | 0 | 0 | 115.6 | | |
| 281 | T | 38.5 | Very low | 38.4 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | | | trans | -149.7 | 82.8 | 154.2 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 282 | V | 35.8 | Very low | 38.2 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | 28 | 120.7 | 137 | -178.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 283 | F | 40.7 | Very low | 38.4 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | trans | -69.5 | 160.4 | 159.9 | -107.3 | -98.6 | 0 | 0 | 0 | 112.4 | | |
| 284 | P | 48.7 | Very low | 38.4 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | | -142.9 | 131.3 | 121.6 | 34.7 | -20.4 | 0 | 0 | 0 | 116.4 | | |
| 285 | L | 35.6 | Very low | 38.7 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -155.2 | 155.3 | 157.8 | -90.9 | 172.6 | 0 | 0 | 0 | 106.5 | | |
| 286 | P | 50.3 | Low | 38.2 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | | | cis | -113.7 | -150.3 | -18.1 | 35.2 | -16.4 | 0 | 0 | 0 | 109.9 | | |
| 287 | P | 46.9 | Very low | 38.3 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | | -139.7 | 169.1 | 101.3 | 38.6 | -27 | 0 | 0 | 0 | 114.4 | | |
| 288 | A | 38.4 | Very low | 38.1 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -144.4 | 153.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 289 | G | 34.6 | Very low | 37.6 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | 109 | 147.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 290 | M | 36.5 | Very low | 37.6 | Very low | 174 Ų | 174 | 135 Ų | 135 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | cis | -155.9 | 169 | -0 | -98.1 | -60.8 | -81 | 0 | 0 | 111.2 | | |
| 291 | H | 28.4 | Very low | 37.3 | Very low | 168 Ų | 168 | 130 Ų | 130 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | | | trans | 83.9 | 135.4 | 156.3 | -120.4 | 74.3 | 0 | 0 | 0 | 120.5 | | |
| 292 | Y | 31.7 | Very low | 36.9 | Very low | 214 Ų | 214 | 134.5 Ų | 134.5 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | | | trans | -91.9 | 148.1 | 163.7 | -117.7 | -91.4 | 0 | 0 | 0 | 108.6 | | |
| 293 | P | 49.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | | -150.9 | 171 | 115.2 | 38.7 | -24 | 0 | 0 | 0 | 114.9 | | |
| 294 | G | 31.3 | Very low | 36.8 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | 93.6 | 109.8 | 144 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 295 | S | 37.4 | Very low | 36.1 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -70.8 | 143.2 | 161.6 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 296 | L | 37.8 | Very low | 35.7 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -172.6 | 135.6 | 151.4 | -107.6 | 165.6 | 0 | 0 | 0 | 112.7 | | |
| 297 | G | 32.9 | Very low | 35.1 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 78.6 | 118.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 298 | A | 31.6 | Very low | 35.1 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | cis | 109.3 | 150.4 | 13.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 299 | Y | 31.8 | Very low | 34.9 | Very low | 235 Ų | 235 | 140.5 Ų | 140.5 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | trans | 66.6 | 131.4 | -164.7 | -77.9 | -106.8 | 0 | 0 | 0 | 114.9 | | |
| 300 | A | 35.2 | Very low | 34.5 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | cis | -157.2 | 162.9 | -12 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 301 | G | 28.5 | Very low | 34.1 | Very low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | cis | 165.5 | 171.5 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 302 | Y | 30.7 | Very low | 34.1 | Very low | 235 Ų | 235 | 133.7 Ų | 133.7 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | | | trans | 80.5 | 144 | 179.7 | -80.2 | -103.7 | 0 | 0 | 0 | 117.5 | | |
| 303 | P | 42.8 | Very low | 34.2 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | | | | -138.7 | -175 | -124.5 | 42 | -23.3 | 0 | 0 | 0 | 116.1 | | |
| 304 | Q | 32.1 | Very low | 33.5 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -136.7 | 120.2 | 170.8 | -114.9 | -68.2 | 13 | 0 | 0 | 111.5 | | |
| 305 | H | 32.8 | Very low | 33.5 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 61% | 0.606 | 79% | 0.793 | S | S | * | * | | | trans | -152.9 | 140.7 | 170.7 | -41.7 | -84.2 | 0 | 0 | 0 | 105.8 | | |
| 306 | Y | 29.1 | Very low | 33.3 | Very low | 207 Ų | 207 | 134.1 Ų | 134.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | cis | -148.4 | 162.3 | 22.8 | -80 | -93.6 | 0 | 0 | 0 | 112.9 | | |
| 307 | L | 37.4 | Very low | 32.9 | Very low | 163 Ų | 163 | 134 Ų | 134 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -125.9 | 173 | 145.5 | -110.9 | 82.4 | 0 | 0 | 0 | 106.5 | | |
| 308 | P | 47.2 | Very low | 33 | Very low | 92 Ų | 92 | 138 Ų | 138 | 60% | 0.597 | 78% | 0.781 | S | S | * | * | | | cis | -132.2 | -160.6 | 0.9 | 33.3 | -10.1 | 0 | 0 | 0 | 114 | | |
| 309 | H | 32.2 | Very low | 33.1 | Very low | 188 Ų | 188 | 138 Ų | 138 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | | | trans | 78.7 | 147.4 | 179.6 | -46.4 | 84.3 | 0 | 0 | 0 | 115.5 | | |
| 310 | G | 26.6 | Very low | 33 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | cis | 161.9 | 122.4 | -14.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 311 | G | 28.2 | Very low | 32.8 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | 102.8 | 140.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 312 | S | 28.2 | Very low | 33 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | 85.3 | 96.6 | 141.1 | -161.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 313 | L | 34.1 | Very low | 33.1 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | | 57.8 | 109 | 126.7 | -55.7 | 176.8 | 0 | 0 | 0 | 122.9 | | |
| 314 | V | 35.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | | -173.9 | 151.7 | 120.2 | -89.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 315 | N | 30.9 | Very low | 32.6 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | | | cis | -135.8 | 175.7 | 0.5 | -174.3 | 21.2 | 0 | 0 | 0 | 109.1 | | |
| 316 | A | 32.7 | Very low | 32.8 | Very low | 75 Ų | 75 | 133.3 Ų | 133.3 | 62% | 0.62 | 81% | 0.809 | S | S | * | * | | | trans | -121.6 | -164.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 317 | Q | 30.6 | Very low | 32.9 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | | | trans | 82.4 | 134.6 | 173.9 | -48.1 | -176.7 | -70.8 | 0 | 0 | 115.1 | | |
| 318 | L | 34 | Very low | 33.1 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | | | cis | -128.1 | 135.7 | 0.2 | -73.8 | 92.2 | 0 | 0 | 0 | 109.7 | | |
| 319 | A | 34.3 | Very low | 32.7 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | | 61.4 | 135.8 | 94.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 320 | S | 30.5 | Very low | 33.3 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | cis | -159.6 | 172 | 0.4 | -148.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 321 | M | 31.5 | Very low | 34.1 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 84% | 0.837 | 82% | 0.819 | S | S | * | * | | | cis | -122.6 | -134.2 | 8.9 | -55.4 | 163.8 | 57.8 | 0 | 0 | 109.4 | | |
| 322 | G | 31 | Very low | 34.6 | Very low | 68 Ų | 68 | 128.5 Ų | 128.5 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | cis | 124.8 | 128 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 323 | C | 33.8 | Very low | 35.4 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | | | cis | -135.8 | 172.7 | -4.3 | -73.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 324 | S | 31.5 | Very low | 35.6 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -117.9 | 152.4 | -155 | 36.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 325 | K | 33.2 | Very low | 35.7 | Very low | 216 Ų | 216 | 122.8 Ų | 122.8 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | | | trans | -153.3 | 159.3 | 142.8 | -154.7 | 153.4 | -173.9 | 172.6 | 0 | 111.3 | | |
| 326 | A | 36.6 | Very low | 36.5 | Very low | 104 Ų | 104 | 121 Ų | 121 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -108.4 | 162.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 327 | G | 32 | Very low | 37.4 | Very low | 83 Ų | 83 | 123 Ų | 123 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | | | trans | 162.5 | 136.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 328 | S | 40.1 | Very low | 38.2 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | trans | -122.3 | 156.7 | -173.1 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 329 | S | 38.6 | Very low | 39 | Very low | 108 Ų | 108 | 120.9 Ų | 120.9 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | | | trans | 68.2 | 144.8 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 330 | P | 45.1 | Very low | 39.6 | Very low | 128 Ų | 128 | 125 Ų | 125 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | | | | -131.8 | 139.2 | 106.4 | 36.4 | -29 | 0 | 0 | 0 | 113.8 | | |
| 331 | L | 43.8 | Very low | 40.5 | Very low | 177 Ų | 177 | 125.4 Ų | 125.4 | 93% | 0.927 | 83% | 0.832 | S | S | * | * | | | trans | -139.1 | 71 | 169.4 | -112.9 | 176 | 0 | 0 | 0 | 109.5 | | |
| 332 | A | 38.7 | Very low | 41.4 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -161.4 | 144.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 333 | G | 45.3 | Very low | 42.4 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | -82 | 134.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 334 | A | 37.9 | Very low | 43.4 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -138.1 | 145 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 335 | S | 36.9 | Very low | 44.4 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.9 | -171.4 | -52.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 336 | P | 49.3 | Very low | 45.4 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144 | 168.8 | 29 | -34.6 | 0 | 0 | 0 | 110.6 | S338 | P336-S338 PolarHBondContact O-N 3.31Š|
| 337 | P | 50.8 | Low | 46.2 | Very low | 117 Ų | 117 | 119.9 Ų | 119.9 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 129.4 | -175.7 | 28.2 | -34.4 | 0 | 0 | 0 | 111.8 | I339 | P337-I339 PolarHBondContact O-N 2.98Š|
| 338 | S | 48.2 | Very low | 47.6 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | | | trans | -74.7 | 103.1 | 172 | -67.8 | 0 | 0 | 0 | 0 | 110.7 | P336 | P336-S338 PolarHBondContact O-N 3.31Š|
| 339 | I | 50.7 | Low | 48.3 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | | | trans | -96.1 | 110.8 | 167.1 | 53.8 | 172.5 | 0 | 0 | 0 | 110.4 | P337 | P337-I339 PolarHBondContact O-N 2.98Š|
| 340 | M | 46.8 | Very low | 49.1 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | | | trans | 29.6 | 102.5 | 163.8 | -69.7 | 167.4 | 62.6 | 0 | 0 | 117.6 | A342 | M340-A342 PolarHBondContact O-N 3.47Š|
| 341 | S | 49.1 | Very low | 49.8 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | trans | -65.5 | 82.7 | 172.3 | 55 | 0 | 0 | 0 | 0 | 113.2 | S343 | S341-S343 PolarHBondContact O-N 2.9Å; S341-S343 VanDerWaalsContact O-N 3.15Å |
| 342 | A | 50 | Low | 50.1 | Low | 78 Ų | 78 | 121.3 Ų | 121.3 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | | | trans | -76 | 89.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | M340 L344 | M340-A342 PolarHBondContact O-N 3.47Å; A342-L344 HydrophobicContact CB-CG 4.33Å; A342-L344 PolarHBondContact O-N 2.84Å |
| 343 | S | 52.9 | Low | 50.4 | Low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | | | trans | -73.2 | 61.7 | 177.7 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | S341 C345 | S341-S343 PolarHBondContact O-N 2.9Å; S341-S343 VanDerWaalsContact O-N 3.15Å; S343-C345 PolarHBondContact O-N 2.83Å |
| 344 | L | 54.5 | Low | 50.5 | Low | 122 Ų | 122 | 131.2 Ų | 131.2 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | | | trans | -66 | 114.8 | 177.4 | -66.8 | 172.2 | 0 | 0 | 0 | 109.2 | A342 R346 | A342-L344 HydrophobicContact CB-CG 4.33Å; A342-L344 PolarHBondContact O-N 2.84Å; L344-R346 PolarHBondContact O-N 3.15Å |
| 345 | C | 52.5 | Low | 50.4 | Low | 62 Ų | 62 | 131.7 Ų | 131.7 | 42% | 0.419 | 74% | 0.737 | S | S | . | * | | | trans | -44.3 | 129.1 | -169 | -166.3 | 0 | 0 | 0 | 0 | 113 | S343 D347 C350 | S343-C345 PolarHBondContact O-N 2.83Å; C345-D347 VanDerWaalsContact C-N 3.32Å; C345-C350 HydrophobicContact CB-CB 3.64Å; C345-C350 WeakPolarHBondContact CB-SG 3.47Å; C345-C350 WeakPolarHBondContact SG-CB 3.27Å; C345-C350 CovalentContact SG-SG 2.04Å; C345-C350 PolarHBondContact SG-SG 3.21Å |
| 346 | R | 53.8 | Low | 50.6 | Low | 233 Ų | 233 | 130.8 Ų | 130.8 | 88% | 0.879 | 74% | 0.736 | S | S | * | * | | | trans | -96.9 | 24.7 | -179.7 | -119.2 | 65.9 | 171.5 | -178.4 | -1.3 | 113.2 | L344 | L344-R346 PolarHBondContact O-N 3.15Š|
| 347 | D | 53.7 | Low | 49.9 | Very low | 83 Ų | 83 | 131 Ų | 131 | 44% | 0.444 | 74% | 0.74 | S | S | . | * | | | trans | -104.5 | 125.9 | 179.2 | -178.6 | -16.3 | 0 | 0 | 0 | 109.5 | C345 Y349 C350 | C345-D347 VanDerWaalsContact C-N 3.32Å; D347-Y349 PolarHBondContact O-N 3.11Å; D347-Y349 VanDerWaalsContact O-N 3.14Å; D347-Y349 PolarHBondContact OD1-N 3.44Å; D347-C350 HydrophobicContact CB-CB 4.05Å; D347-C350 WeakPolarHBondContact O-CB 3.45Å; D347-C350 PolarHBondContact O-N 2.97Å |
| 348 | P | 60.9 | Low | 49.5 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -10.8 | 177.1 | 26.9 | -34.9 | 0 | 0 | 0 | 114.6 | | |
| 349 | Y | 54 | Low | 49.1 | Very low | 196 Ų | 196 | 136.7 Ų | 136.7 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 10.1 | 179 | -58.1 | -74 | 0 | 0 | 0 | 114 | D347 L351 | D347-Y349 PolarHBondContact O-N 3.11Å; D347-Y349 VanDerWaalsContact O-N 3.14Å; D347-Y349 PolarHBondContact OD1-N 3.44Å; Y349-L351 PolarHBondContact O-N 3.23Å |
| 350 | C | 57.1 | Low | 48.3 | Very low | 59 Ų | 59 | 133.7 Ų | 133.7 | 40% | 0.399 | 75% | 0.746 | S | S | . | * | | | trans | -74.8 | 64.8 | -174.7 | -134 | 0 | 0 | 0 | 0 | 113.3 | C345 D347 S352 | C345-C350 HydrophobicContact CB-CB 3.64Å; C345-C350 WeakPolarHBondContact CB-SG 3.47Å; C345-C350 WeakPolarHBondContact SG-CB 3.27Å; C345-C350 CovalentContact SG-SG 2.04Å; C345-C350 PolarHBondContact SG-SG 3.21Å; D347-C350 HydrophobicContact CB-CB 4.05Å; D347-C350 WeakPolarHBondContact O-CB 3.45Å; D347-C350 PolarHBondContact O-N 2.97Å; C350-S352 PolarHBondContact O-N 3.34Å |
| 351 | L | 58.3 | Low | 47.7 | Very low | 167 Ų | 167 | 129 Ų | 129 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | trans | -79.7 | 34.2 | -168.7 | -146 | 83.1 | 0 | 0 | 0 | 114.7 | Y349 | Y349-L351 PolarHBondContact O-N 3.23Š|
| 352 | S | 51.7 | Low | 47.1 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | -156.2 | 95.9 | -177.2 | -77.4 | 0 | 0 | 0 | 0 | 113.4 | C350 | C350-S352 PolarHBondContact O-N 3.34Š|
| 353 | Y | 43.6 | Very low | 46.3 | Very low | 197 Ų | 197 | 129.2 Ų | 129.2 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -148.3 | 109.2 | 148.6 | -98.6 | -70.3 | 0 | 0 | 0 | 111.3 | | |
| 354 | H | 47.5 | Very low | 45.5 | Very low | 196 Ų | 196 | 129.8 Ų | 129.8 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | | | trans | -81.4 | 114.7 | 155.2 | -94.1 | -24.4 | 0 | 0 | 0 | 108.6 | | |
| 355 | C | 36.2 | Very low | 44.5 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -129.8 | 98.6 | 156 | -70.6 | 0 | 0 | 0 | 0 | 108 | | |
| 356 | A | 41.2 | Very low | 43.4 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -69.7 | 137.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 357 | S | 34.8 | Very low | 42.3 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -148 | 99.3 | 167.4 | -74.6 | 0 | 0 | 0 | 0 | 108.1 | L359 | S357-L359 PolarHBondContact O-N 3.2Š|
| 358 | H | 41.4 | Very low | 41.3 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | | | trans | -62.2 | 129.1 | 172.1 | -92.2 | -124.3 | 0 | 0 | 0 | 109.8 | | |
| 359 | L | 39.5 | Very low | 39.8 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | trans | -136.1 | 137.6 | 136.2 | -161.6 | 59.5 | 0 | 0 | 0 | 108.3 | S357 | S357-L359 PolarHBondContact O-N 3.2Š|
| 360 | A | 34.7 | Very low | 38.9 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -73.6 | 151.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 361 | G | 34 | Very low | 37.5 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -76.6 | 164.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 362 | A | 35.7 | Very low | 36.3 | Very low | 105 Ų | 105 | 132 Ų | 132 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | | | trans | -130.8 | 139.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 363 | A | 34.9 | Very low | 35.2 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | -28.4 | 139.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 364 | S | 35.1 | Very low | 34.9 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | -96.5 | 103.3 | 154.3 | 55.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 365 | A | 34.3 | Very low | 34.2 | Very low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | | | trans | -165.3 | 163 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 366 | S | 29.4 | Very low | 34 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | 66.9 | 102.7 | -178 | -161.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 367 | Q | 31 | Very low | 33.4 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | cis | 86.2 | 93.2 | 17.1 | -153.1 | 173.5 | -1.2 | 0 | 0 | 116.3 | | |
| 368 | Q | 32.1 | Very low | 33.2 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | 48.2 | 124.3 | 154.6 | -66.7 | 172.6 | -93.6 | 0 | 0 | 120.4 | | |
| 369 | C | 28.2 | Very low | 33 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | -137.4 | 147.5 | 136 | -157.7 | 0 | 0 | 0 | 0 | 109 | | |
| 370 | H | 37.1 | Very low | 32.8 | Very low | 144 Ų | 144 | 133 Ų | 133 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | | | trans | -152.3 | 114.8 | -162.5 | -158.1 | -76.2 | 0 | 0 | 0 | 109.5 | | |
| 371 | D | 26.1 | Very low | 32.9 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | -164.7 | 100 | 161.1 | -111.7 | -40.6 | 0 | 0 | 0 | 114.2 | | |
| 372 | N | 33.2 | Very low | 33 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | | 49.1 | 163.3 | 120 | -62.5 | -47.5 | 0 | 0 | 0 | 123.8 | | |
| 373 | A | 29.9 | Very low | 33.3 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | 78.8 | 122.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 374 | M | 36.6 | Very low | 33.2 | Very low | 169 Ų | 169 | 143 Ų | 143 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | cis | -150.2 | 143.7 | -4 | -85.7 | -65.1 | 174.2 | 0 | 0 | 112 | | |
| 375 | K | 32.5 | Very low | 33.2 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | 34.5 | 132.1 | 130.7 | -155.6 | 174.8 | -176.4 | 178.8 | 0 | 119.1 | | |
| 376 | S | 31.7 | Very low | 33.5 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | cis | -172.4 | 151.2 | 2.6 | 162.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 377 | G | 29.3 | Very low | 33.8 | Very low | 70 Ų | 70 | 149.9 Ų | 149.9 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | -179.9 | 83.6 | 173 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 378 | Y | 30.8 | Very low | 34.1 | Very low | 218 Ų | 218 | 151 Ų | 151 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | trans | 30.8 | 104.7 | 157.6 | -76.4 | -89.2 | 0 | 0 | 0 | 121.1 | | |
| 379 | H | 35.9 | Very low | 34.2 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | | | | -146.2 | 133.4 | 123.2 | -127.1 | 60.4 | 0 | 0 | 0 | 113.7 | | |
| 380 | H | 35.8 | Very low | 34.4 | Very low | 158 Ų | 158 | 149 Ų | 149 | 73% | 0.731 | 78% | 0.782 | S | S | * | * | | | trans | -100.6 | 150.5 | 162 | -100.8 | 39.4 | 0 | 0 | 0 | 106 | | |
| 381 | M | 36.8 | Very low | 34.4 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | cis | -135.7 | 164.8 | 13.2 | -65.5 | -171.2 | 72.2 | 0 | 0 | 113.4 | | |
| 382 | Y | 35.6 | Very low | 34.6 | Very low | 209 Ų | 209 | 149 Ų | 149 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | | | trans | -69.1 | 178.1 | 163.3 | -87.1 | -100 | 0 | 0 | 0 | 112.7 | | |
| 383 | P | 42.7 | Very low | 34.8 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | cis | -128.7 | 155.8 | 2 | 20.8 | 3 | 0 | 0 | 0 | 117.1 | | |
| 384 | T | 32.2 | Very low | 35.5 | Very low | 106 Ų | 106 | 150 Ų | 150 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | | | trans | -76.4 | 148.5 | 155.7 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 385 | H | 36.9 | Very low | 35.6 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | | | trans | -121 | 111.4 | 149.9 | -86.5 | -84.6 | 0 | 0 | 0 | 110.1 | | |
| 386 | L | 39.6 | Very low | 35.6 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -111.1 | 122.6 | 166.5 | -73.2 | 170.7 | 0 | 0 | 0 | 107.6 | | |
| 387 | L | 36.4 | Very low | 36.1 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | trans | -143 | 122.1 | 163.8 | -74 | 179.7 | 0 | 0 | 0 | 109.7 | | |
| 388 | H | 35.9 | Very low | 36.4 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | trans | 31.4 | 118.4 | 156.5 | -53.3 | -82.8 | 0 | 0 | 0 | 119.6 | | |
| 389 | G | 36 | Very low | 36.7 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -111 | 155.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 390 | M | 32.4 | Very low | 37.1 | Very low | 187 Ų | 187 | 144 Ų | 144 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -141.2 | 123.8 | 162.2 | -62.4 | -167 | 86.5 | 0 | 0 | 110.2 | | |
| 391 | H | 36.5 | Very low | 37.8 | Very low | 180 Ų | 180 | 142 Ų | 142 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | | | trans | 30.6 | 115.7 | 150.7 | -142.9 | -91.9 | 0 | 0 | 0 | 120.8 | | |
| 392 | S | 30.4 | Very low | 38.1 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | | 162.6 | 142.8 | 118.8 | -70.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 393 | S | 37.2 | Very low | 38.1 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -79.8 | 154.4 | 169.4 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 394 | P | 43.9 | Very low | 38.5 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | | -134.8 | -179.4 | 80 | 37.9 | -24.7 | 0 | 0 | 0 | 114.6 | | |
| 395 | Q | 39.6 | Very low | 38.8 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -77.1 | 118.6 | -175.3 | -66.3 | 173.5 | -19.3 | 0 | 0 | 112.7 | | |
| 396 | S | 32.8 | Very low | 39.1 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -95.2 | 106.5 | 165.8 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | S398 | S396-S398 PolarHBondContact O-N 3.34Š|
| 397 | F | 41.7 | Very low | 39.2 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -72.4 | 125.4 | 168.5 | -83.6 | -86.3 | 0 | 0 | 0 | 110.2 | G399 | F397-G399 PolarHBondContact O-N 2.85Š|
| 398 | S | 36.4 | Very low | 39.6 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -79.1 | 106.5 | -173.7 | 40.1 | 0 | 0 | 0 | 0 | 112.7 | S396 H400 | S396-S398 PolarHBondContact O-N 3.34Å; S398-H400 PolarHBondContact O-N 2.84Å |
| 399 | G | 36.8 | Very low | 40.3 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | -69.2 | 119.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F397 | F397-G399 PolarHBondContact O-N 2.85Š|
| 400 | H | 44.5 | Very low | 40.7 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -79.1 | 127.2 | 178.4 | -121.3 | -79.5 | 0 | 0 | 0 | 111 | S398 L402 | S398-H400 PolarHBondContact O-N 2.84Å; H400-L402 VanDerWaalsContact C-N 3.26Å; H400-L402 PolarHBondContact O-N 3.39Å |
| 401 | P | 50 | Low | 41.4 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 31.7 | -162.1 | 33.8 | -39.3 | 0 | 0 | 0 | 115.7 | | |
| 402 | L | 43.6 | Very low | 42 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.7 | 25.5 | -170.3 | -71.5 | 177.5 | 0 | 0 | 0 | 116 | H400 | H400-L402 VanDerWaalsContact C-N 3.26Å; H400-L402 PolarHBondContact O-N 3.39Å |
| 403 | Y | 34.4 | Very low | 43.6 | Very low | 215 Ų | 215 | 133.8 Ų | 133.8 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | | | trans | -139.4 | 100.5 | 170.2 | -113.9 | -88.6 | 0 | 0 | 0 | 113.6 | Y405 | Y403-Y405 PolarHBondContact O-N 3.18Š|
| 404 | P | 50.6 | Low | 44.8 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | | | trans | -90.1 | 63 | -178.8 | 36.7 | -35.6 | 0 | 0 | 0 | 112.2 | | |
| 405 | Y | 40.1 | Very low | 46.3 | Very low | 210 Ų | 210 | 129.2 Ų | 129.2 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | | | trans | -138.1 | 49.1 | 173.8 | -102 | -79.1 | 0 | 0 | 0 | 112.8 | Y403 F407 | Y403-Y405 PolarHBondContact O-N 3.18Å; Y405-F407 VanDerWaalsContact C-N 3.31Å; Y405-F407 PolarHBondContact O-N 3.39Å |
| 406 | G | 42.8 | Very low | 48.6 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 69% | 0.688 | S | S | * | * | | | trans | -78.3 | 68.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M408 | G406-M408 PolarHBondContact O-N 3.09Š|
| 407 | F | 41.8 | Very low | 51.4 | Low | 182 Ų | 182 | 121 Ų | 121 | 80% | 0.798 | 67% | 0.666 | S | S | * | * | | | trans | -77.2 | 62.3 | 163.7 | -165.1 | -109.7 | 0 | 0 | 0 | 110 | Y405 L409 | Y405-F407 VanDerWaalsContact C-N 3.31Å; Y405-F407 PolarHBondContact O-N 3.39Å; F407-L409 HydrophobicContact CD1-CD1 3.95Å; F407-L409 HydrophobicContact CE1-CD1 3.28Å; F407-L409 HydrophobicContact CZ-CD1 3.66Å; F407-L409 PolarHBondContact O-N 3.16Å |
| 408 | M | 44 | Very low | 53.9 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 72% | 0.719 | 63% | 0.628 | S | S | * | * | | | trans | -75.9 | 89.1 | 174.6 | -69.1 | -105.2 | 61.4 | 0 | 0 | 108.4 | G406 | G406-M408 PolarHBondContact O-N 3.09Š|
| 409 | L | 49.8 | Very low | 56.5 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | | | trans | -52.7 | 141.2 | 146.9 | -103.4 | 71.1 | 0 | 0 | 0 | 107.5 | F407 N411 | F407-L409 HydrophobicContact CD1-CD1 3.95Å; F407-L409 HydrophobicContact CE1-CD1 3.28Å; F407-L409 HydrophobicContact CZ-CD1 3.66Å; F407-L409 PolarHBondContact O-N 3.16Å; L409-N411 PolarHBondContact O-N 3.25Å |
| 410 | P | 45.8 | Very low | 59.1 | Low | 126 Ų | 126 | 113.1 Ų | 113.1 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | | | trans | -54.2 | 104.5 | 165.6 | -22.6 | 33.6 | 0 | 0 | 0 | 108.3 | D412 | P410-D412 PolarHBondContact O-N 3.22Š|
| 411 | N | 45.6 | Very low | 61.1 | Low | 99 Ų | 99 | 110 Ų | 110 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | | | trans | -78.6 | 84.4 | 172.4 | -101.3 | -83.2 | 0 | 0 | 0 | 107.1 | L409 P413 R430 | L409-N411 PolarHBondContact O-N 3.25Å; N411-P413 WeakPolarHBondContact O-CD 3.2Å; N411-P413 VanDerWaalsContact O-N 3.16Å; N411-R430 PolarHBondContact OD1-NH1 3.14Å; N411-R430 VanDerWaalsContact OD1-NH1 3.13Å |
| 412 | D | 50.3 | Low | 62.8 | Low | 97 Ų | 97 | 106 Ų | 106 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | | | trans | -48.4 | 115.9 | 160.3 | -168 | 22.4 | 0 | 0 | 0 | 107.6 | P410 L414 | P410-D412 PolarHBondContact O-N 3.22Å; D412-L414 PolarHBondContact O-N 3.44Å; D412-L414 WeakPolarHBondContact OD1-CD1 2.77Å; D412-L414 WeakPolarHBondContact OD2-CD1 3.2Å |
| 413 | P | 63 | Low | 64.3 | Low | 115 Ų | 115 | 104.3 Ų | 104.3 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | | | trans | -80.2 | 37.4 | -160.2 | 33.1 | -37.9 | 0 | 0 | 0 | 113.1 | N411 P415 | N411-P413 WeakPolarHBondContact O-CD 3.2Å; N411-P413 VanDerWaalsContact O-N 3.16Å; P413-P415 VanDerWaalsContact O-CD 3.28Å; P413-P415 WeakPolarHBondContact O-CD 3.08Å |
| 414 | L | 62.3 | Low | 66.5 | Low | 41 Ų | 41 | 101.7 Ų | 101.7 | 22% | 0.215 | 58% | 0.575 | C | S | . | * | | | trans | -71.8 | 111 | 179.3 | -90 | 52.1 | 0 | 0 | 0 | 109.8 | D412 H416 F431 | D412-L414 PolarHBondContact O-N 3.44Å; D412-L414 WeakPolarHBondContact OD1-CD1 2.77Å; D412-L414 WeakPolarHBondContact OD2-CD1 3.2Å; L414-H416 PolarHBondContact O-N 3.24Å; L414-H416 VanDerWaalsContact O-N 3.15Å; L414-F431 WeakPolarHBondContact CB-O 3.46Å; L414-F431 WeakPolarHBondContact CD2-O 3.46Å; L414-F431 WeakPolarHBondContact CG-O 3.38Å |
| 415 | P | 77 | Confident | 68.2 | Low | 103 Ų | 103 | 97.3 Ų | 97.3 | 67% | 0.669 | 55% | 0.551 | S | S | * | * | | | trans | -82.3 | 11.4 | -173.4 | 34.7 | -34.3 | 0 | 0 | 0 | 112.9 | P413 | P413-P415 VanDerWaalsContact O-CD 3.28Å; P413-P415 WeakPolarHBondContact O-CD 3.08Å |
| 416 | H | 86.9 | Confident | 70.5 | Confident | 53 Ų | 53 | 91.3 Ų | 91.3 | 25% | 0.245 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 90.5 | -172.5 | -55.7 | -43.3 | 0 | 0 | 0 | 109.7 | L414 R430 F431 S434 L437 | L414-H416 PolarHBondContact O-N 3.24Å; L414-H416 VanDerWaalsContact O-N 3.15Å; H416-R430 CarbonylContact O-C 3.57Å; H416-R430 WeakPolarHBondContact O-CA 3.43Å; H416-F431 HydrophobicContact CB-CB 4.16Å; H416-F431 PolarHBondContact O-N 2.91Å; H416-S434 PolarHBondContact CD2-N 3.06Å; H416-S434 PolarHBondContact NE2-N 2.84Å; H416-L437 VanDerWaalsContact C-CD1 3.48Å; H416-L437 HydrophobicContact CB-CB 4.24Å; H416-L437 HydrophobicContact CB-CD1 3.89Å |
| 417 | V | 92 | Very high | 72.7 | Confident | 60 Ų | 60 | 88.8 Ų | 88.8 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.1 | 179.1 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | R430 L437 | V417-R430 HydrophobicContact CG1-CG 4.12Å; V417-R430 HydrophobicContact CG2-CG 3.94Å; V417-L437 VanDerWaalsContact C-CD1 3.49Å; V417-L437 WeakPolarHBondContact O-CD1 3.48Å |
| 418 | C | 94.4 | Very high | 75 | Confident | 4 Ų | 4 | 85.5 Ų | 85.5 | 3% | 0.027 | 50% | 0.5 | C | S | . | . | | | trans | -68.8 | 144.8 | 168.4 | -162.3 | 0 | 0 | 0 | 0 | 109.2 | C427 K429 F431 | C418-C427 CarbonylContact C-O 3.25Å; C418-C427 VanDerWaalsContact C-O 3.25Å; C418-K429 PolarHBondContact N-O 3.47Å; C418-F431 HydrophobicContact CB-CE2 4.28Å |
| 419 | N | 91.1 | Very high | 77.2 | Confident | 126 Ų | 126 | 84.4 Ų | 84.4 | 67% | 0.674 | 49% | 0.491 | S | S | * | . | | | trans | -138.9 | 43.6 | 174.6 | -174.9 | 18.3 | 0 | 0 | 0 | 109.1 | | |
| 420 | W | 90.9 | Very high | 79.3 | Confident | 80 Ų | 80 | 85.7 Ų | 85.7 | 30% | 0.303 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.7 | 179.3 | -173.6 | -80 | 0 | 0 | 0 | 109.9 | C427 L441 H444 T445 | W420-C427 WeakPolarHBondContact O-CB 3.46Å; W420-C427 PolarHBondContact O-N 2.93Å; W420-L441 HydrophobicContact CD2-CD1 4.41Å; W420-L441 HydrophobicContact CE3-CD1 3.62Å; W420-L441 HydrophobicContact CZ3-CD1 4.26Å; W420-H444 HydrophobicContact CB-CB 4.29Å; W420-H444 AromaticContact CD1-CE1 3.94Å; W420-H444 AromaticContact CD1-CG 3.47Å; W420-H444 VanDerWaalsContact CD1-CG 3.47Å; W420-H444 AromaticContact CD1-ND1 3.24Å; W420-H444 HydrophobicContact CD2-CB 3.78Å; W420-H444 HydrophobicContact CG-CB 3.64Å; W420-H444 AromaticContact CG-CG 3.55Å; W420-H444 AromaticContact CG-ND1 3.78Å; W420-H444 AromaticContact NE1-ND1 3.89Å; W420-T445 HydrophobicContact CH2-CG2 3.61Å; W420-T445 HydrophobicContact CZ2-CG2 4.21Å; W420-T445 HydrophobicContact CZ3-CG2 3.97Å |
| 421 | V | 87.5 | Confident | 81.4 | Confident | 102 Ų | 102 | 81.4 Ų | 81.4 | 62% | 0.618 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117.1 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | P426 | V421-P426 HydrophobicContact CG2-CB 4.42Å |
| 422 | S | 85.2 | Confident | 83.6 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 22% | 0.224 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 172.9 | 172.7 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | N424 G425 | S422-N424 PolarHBondContact O-N 3.15Å; S422-N424 VanDerWaalsContact O-N 3.11Å; S422-G425 PolarHBondContact N-O 2.81Å; S422-G425 PolarHBondContact O-N 3.13Å |
| 423 | A | 75.5 | Confident | 85.6 | Confident | 109 Ų | 109 | 78.8 Ų | 78.8 | 90% | 0.901 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 424 | N | 79 | Confident | 87 | Confident | 159 Ų | 159 | 76.2 Ų | 76.2 | 85% | 0.85 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.5 | 174.5 | -53.5 | 90.4 | 0 | 0 | 0 | 114.1 | S422 | S422-N424 PolarHBondContact O-N 3.15Å; S422-N424 VanDerWaalsContact O-N 3.11Å |
| 425 | G | 86.4 | Confident | 88.5 | Confident | 28 Ų | 28 | 78.1 Ų | 78.1 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.9 | -178 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S422 | S422-G425 PolarHBondContact N-O 2.81Å; S422-G425 PolarHBondContact O-N 3.13Å |
| 426 | P | 88.5 | Confident | 89.3 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 146.7 | 172.9 | 30.9 | -34.8 | 0 | 0 | 0 | 111.3 | V421 | V421-P426 HydrophobicContact CG2-CB 4.42Å |
| 427 | C | 90.4 | Very high | 89.7 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 10% | 0.101 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.5 | 166.8 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | C418 W420 H440 H444 | C418-C427 CarbonylContact C-O 3.25Å; C418-C427 VanDerWaalsContact C-O 3.25Å; W420-C427 WeakPolarHBondContact O-CB 3.46Å; W420-C427 PolarHBondContact O-N 2.93Å; C427-H440 PolarHBondContact SG-NE2 2.83Å; C427-H444 VanDerWaalsContact CB-NE2 3.34Å; C427-H444 WeakPolarHBondContact CB-NE2 3.46Å; C427-H444 PolarHBondContact SG-NE2 3.24Å; C427-H444 VanDerWaalsContact SG-NE2 3.36Å |
| 428 | D | 89.4 | Confident | 89.7 | Confident | 113 Ų | 113 | 77 Ų | 77 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | | | trans | -106.4 | 25.3 | -179.5 | -72.9 | -81.5 | 0 | 0 | 0 | 112.9 | R430 | D428-R430 PolarHBondContact O-N 3.17Š|
| 429 | K | 90.7 | Very high | 89.6 | Confident | 123 Ų | 123 | 81 Ų | 81 | 54% | 0.535 | 45% | 0.452 | S | S | . | . | | | trans | -66.2 | 127.7 | -176.8 | -71.8 | -174.8 | -170.5 | 179.3 | 0 | 111.5 | C418 F431 | C418-K429 PolarHBondContact N-O 3.47Å; K429-F431 HydrophobicContact CB-CE2 3.59Å; K429-F431 HydrophobicContact CB-CZ 3.68Å; K429-F431 HydrophobicContact CD-CZ 4.29Å; K429-F431 WeakPolarHBondContact O-CD2 3.48Å; K429-F431 VanDerWaalsContact O-CE2 3.27Å; K429-F431 WeakPolarHBondContact O-CE2 3.28Å |
| 430 | R | 93.8 | Very high | 89.8 | Confident | 129 Ų | 129 | 75.8 Ų | 75.8 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 149.7 | 173.8 | -54.7 | -163.4 | 172.5 | -160.7 | -2.4 | 110.9 | N411 H416 V417 D428 | N411-R430 PolarHBondContact OD1-NH1 3.14Å; N411-R430 VanDerWaalsContact OD1-NH1 3.13Å; H416-R430 CarbonylContact O-C 3.57Å; H416-R430 WeakPolarHBondContact O-CA 3.43Å; V417-R430 HydrophobicContact CG1-CG 4.12Å; V417-R430 HydrophobicContact CG2-CG 3.94Å; D428-R430 PolarHBondContact O-N 3.17Å |
| 431 | F | 90.1 | Very high | 89.8 | Confident | 37 Ų | 37 | 74.8 Ų | 74.8 | 16% | 0.162 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151 | -174.9 | -64.4 | -79.4 | 0 | 0 | 0 | 111.5 | L414 H416 C418 K429 E436 L437 H440 | L414-F431 WeakPolarHBondContact CB-O 3.46Å; L414-F431 WeakPolarHBondContact CD2-O 3.46Å; L414-F431 WeakPolarHBondContact CG-O 3.38Å; H416-F431 HydrophobicContact CB-CB 4.16Å; H416-F431 PolarHBondContact O-N 2.91Å; C418-F431 HydrophobicContact CB-CE2 4.28Å; K429-F431 HydrophobicContact CB-CE2 3.59Å; K429-F431 HydrophobicContact CB-CZ 3.68Å; K429-F431 HydrophobicContact CD-CZ 4.29Å; K429-F431 WeakPolarHBondContact O-CD2 3.48Å; K429-F431 VanDerWaalsContact O-CE2 3.27Å; K429-F431 WeakPolarHBondContact O-CE2 3.28Å; F431-E436 HydrophobicContact CB-CB 3.98Å; F431-E436 HydrophobicContact CD1-CB 3.6Å; F431-E436 HydrophobicContact CE1-CB 4.47Å; F431-E436 HydrophobicContact CG-CB 4.03Å; F431-L437 HydrophobicContact CB-CB 4.3Å; F431-L437 HydrophobicContact CD2-CB 3.87Å; F431-L437 HydrophobicContact CD2-CG 4.38Å; F431-L437 HydrophobicContact CG-CB 4.21Å; F431-H440 HydrophobicContact CE1-CB 4.08Å; F431-H440 HydrophobicContact CE2-CB 4.04Å; F431-H440 AromaticContact CE2-CD2 3.45Å; F431-H440 VanDerWaalsContact CE2-CD2 3.45Å; F431-H440 WeakPolarHBondContact CE2-CD2 3.39Å; F431-H440 HydrophobicContact CZ-CB 3.5Å; F431-H440 AromaticContact CZ-CD2 3.33Å; F431-H440 WeakPolarHBondContact CZ-CD2 3Å; F431-H440 AromaticContact CZ-CG 3.5Å |
| 432 | S | 91.1 | Very high | 90 | Very high | 92 Ų | 92 | 75.7 Ų | 75.7 | 64% | 0.643 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -80.5 | -23.5 | 177.8 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | E436 | S432-E436 PolarHBondContact N-OE2 2.95Š|
| 433 | S | 91.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 77.3 Ų | 77.3 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -131.6 | 149.5 | -178.6 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | E435 E436 L437 | S433-E435 VanDerWaalsContact C-N 3.28Å; S433-E435 PolarHBondContact O-N 2.89Å; S433-E435 PolarHBondContact OG-N 3.29Å; S433-E436 PolarHBondContact N-OE2 2.82Å; S433-E436 PolarHBondContact O-N 2.7Å; S433-L437 PolarHBondContact O-N 3.14Å |
| 434 | S | 93.1 | Very high | 90.8 | Very high | 62 Ų | 62 | 73.5 Ų | 73.5 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -32.8 | 173.7 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | H416 L437 L438 | H416-S434 PolarHBondContact CD2-N 3.06Å; H416-S434 PolarHBondContact NE2-N 2.84Å; S434-L437 PolarHBondContact O-N 3.26Å; S434-L438 VanDerWaalsContact O-CG 3.27Å; S434-L438 WeakPolarHBondContact O-CG 3.49Å; S434-L438 PolarHBondContact O-N 3.4Å |
| 435 | E | 93.9 | Very high | 90.9 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.2 | -33.7 | 177 | -179 | 53.7 | -151.9 | 0 | 0 | 111.8 | S433 L438 I439 R442 | S433-E435 VanDerWaalsContact C-N 3.28Å; S433-E435 PolarHBondContact O-N 2.89Å; S433-E435 PolarHBondContact OG-N 3.29Å; E435-L438 PolarHBondContact O-N 3.18Å; E435-I439 HydrophobicContact CG-CD1 4.02Å; E435-I439 HydrophobicContact CG-CG1 4.37Å; E435-I439 WeakPolarHBondContact O-CB 3.47Å; E435-I439 WeakPolarHBondContact O-CG1 3.45Å; E435-I439 PolarHBondContact O-N 3.41Å; E435-I439 WeakPolarHBondContact OE1-CG1 3.38Å; E435-R442 VanDerWaalsContact CD-NH2 3.35Å; E435-R442 IonicContact OE1-CZ 3.23Å; E435-R442 VanDerWaalsContact OE1-CZ 3.23Å; E435-R442 IonicContact OE1-NH1 2.74Å; E435-R442 PolarHBondContact OE1-NH1 3.36Å; E435-R442 IonicContact OE1-NH2 2.78Å; E435-R442 PolarHBondContact OE1-NH2 3.46Å; E435-R442 IonicContact OE2-NH2 3.13Å; E435-R442 PolarHBondContact OE2-NH2 2.79Å; E435-R442 VanDerWaalsContact OE2-NH2 3.13Å |
| 436 | E | 94 | Very high | 90.2 | Very high | 84 Ų | 84 | 71.6 Ų | 71.6 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 173 | -64.5 | 170 | 158.8 | 0 | 0 | 111.2 | F431 S432 S433 L438 I439 H440 | F431-E436 HydrophobicContact CB-CB 3.98Å; F431-E436 HydrophobicContact CD1-CB 3.6Å; F431-E436 HydrophobicContact CE1-CB 4.47Å; F431-E436 HydrophobicContact CG-CB 4.03Å; S432-E436 PolarHBondContact N-OE2 2.95Å; S433-E436 PolarHBondContact N-OE2 2.82Å; S433-E436 PolarHBondContact O-N 2.7Å; E436-L438 VanDerWaalsContact C-N 3.33Å; E436-L438 PolarHBondContact O-N 3.41Å; E436-I439 PolarHBondContact O-N 2.79Å; E436-H440 WeakPolarHBondContact O-CB 3.42Å; E436-H440 PolarHBondContact O-N 2.96Å |
| 437 | L | 94.3 | Very high | 88.8 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 17% | 0.173 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 172.6 | 178.1 | 151.1 | 0 | 0 | 0 | 111.5 | H416 V417 F431 S433 S434 H440 L441 | H416-L437 VanDerWaalsContact C-CD1 3.48Å; H416-L437 HydrophobicContact CB-CB 4.24Å; H416-L437 HydrophobicContact CB-CD1 3.89Å; V417-L437 VanDerWaalsContact C-CD1 3.49Å; V417-L437 WeakPolarHBondContact O-CD1 3.48Å; F431-L437 HydrophobicContact CB-CB 4.3Å; F431-L437 HydrophobicContact CD2-CB 3.87Å; F431-L437 HydrophobicContact CD2-CG 4.38Å; F431-L437 HydrophobicContact CG-CB 4.21Å; S433-L437 PolarHBondContact O-N 3.14Å; S434-L437 PolarHBondContact O-N 3.26Å; L437-H440 PolarHBondContact O-N 2.04Å; L437-L441 VanDerWaalsContact O-CB 3.29Å; L437-L441 WeakPolarHBondContact O-CB 3.02Å; L437-L441 PolarHBondContact O-N 3.36Å |
| 438 | L | 92.8 | Very high | 87.3 | Confident | 74 Ų | 74 | 77.4 Ų | 77.4 | 39% | 0.387 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69 | -41.5 | 177.7 | -71 | 167.9 | 0 | 0 | 0 | 112.1 | S434 E435 E436 H440 L441 R442 | S434-L438 VanDerWaalsContact O-CG 3.27Å; S434-L438 WeakPolarHBondContact O-CG 3.49Å; S434-L438 PolarHBondContact O-N 3.4Å; E435-L438 PolarHBondContact O-N 3.18Å; E436-L438 VanDerWaalsContact C-N 3.33Å; E436-L438 PolarHBondContact O-N 3.41Å; L438-H440 VanDerWaalsContact C-N 3.3Å; L438-H440 PolarHBondContact O-N 3.35Å; L438-L441 PolarHBondContact O-N 3.03Å; L438-R442 VanDerWaalsContact O-CG 3.23Å; L438-R442 WeakPolarHBondContact O-CG 3.44Å; L438-R442 PolarHBondContact O-N 2.89Å; L438-R442 PolarHBondContact O-NE 3.22Å |
| 439 | I | 92.6 | Very high | 85.7 | Confident | 88 Ų | 88 | 75.6 Ų | 75.6 | 45% | 0.451 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.1 | -47.7 | 171.1 | -69.8 | 162 | 0 | 0 | 0 | 109.7 | E435 E436 R442 T443 | E435-I439 HydrophobicContact CG-CD1 4.02Å; E435-I439 HydrophobicContact CG-CG1 4.37Å; E435-I439 WeakPolarHBondContact O-CB 3.47Å; E435-I439 WeakPolarHBondContact O-CG1 3.45Å; E435-I439 PolarHBondContact O-N 3.41Å; E435-I439 WeakPolarHBondContact OE1-CG1 3.38Å; E436-I439 PolarHBondContact O-N 2.79Å; I439-R442 VanDerWaalsContact CG1-NH1 3.25Å; I439-R442 WeakPolarHBondContact O-CB 3.21Å; I439-R442 PolarHBondContact O-N 3.41Å; I439-T443 PolarHBondContact O-N 3.2Å |
| 440 | H | 93.5 | Very high | 83.8 | Confident | 17 Ų | 17 | 72 Ų | 72 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 178.7 | 177.4 | 41.1 | 0 | 0 | 0 | 113 | C427 F431 E436 L437 L438 R442 T443 H444 | C427-H440 PolarHBondContact SG-NE2 2.83Å; F431-H440 HydrophobicContact CE1-CB 4.08Å; F431-H440 HydrophobicContact CE2-CB 4.04Å; F431-H440 AromaticContact CE2-CD2 3.45Å; F431-H440 VanDerWaalsContact CE2-CD2 3.45Å; F431-H440 WeakPolarHBondContact CE2-CD2 3.39Å; F431-H440 HydrophobicContact CZ-CB 3.5Å; F431-H440 AromaticContact CZ-CD2 3.33Å; F431-H440 WeakPolarHBondContact CZ-CD2 3Å; F431-H440 AromaticContact CZ-CG 3.5Å; E436-H440 WeakPolarHBondContact O-CB 3.42Å; E436-H440 PolarHBondContact O-N 2.96Å; L437-H440 PolarHBondContact O-N 2.04Å; L438-H440 VanDerWaalsContact C-N 3.3Å; L438-H440 PolarHBondContact O-N 3.35Å; H440-R442 VanDerWaalsContact C-N 3.26Å; H440-R442 PolarHBondContact O-N 2.9Å; H440-T443 PolarHBondContact ND1-OG1 3.43Å; H440-T443 VanDerWaalsContact ND1-OG1 3.09Å; H440-T443 WeakPolarHBondContact O-CA 3.49Å; H440-T443 WeakPolarHBondContact O-CB 3.25Å; H440-T443 PolarHBondContact O-N 3.09Å; H440-T443 PolarHBondContact O-OG1 3.22Å; H440-H444 AromaticContact CE1-CD2 3.37Å; H440-H444 PolarHBondContact CE1-CD2 3.28Å; H440-H444 AromaticContact CE1-NE2 3.16Å; H440-H444 PolarHBondContact CE1-NE2 3.2Å; H440-H444 AromaticContact NE2-CD2 3.53Å; H440-H444 AromaticContact NE2-NE2 3.25Å; H440-H444 PolarHBondContact NE2-NE2 3.47Å; H440-H444 PolarHBondContact O-N 3.04Å |
| 441 | L | 92.8 | Very high | 81.5 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.3 | -36.2 | 176.3 | -170.1 | 64.7 | 0 | 0 | 0 | 111.5 | W420 L437 L438 T443 H444 T445 | W420-L441 HydrophobicContact CD2-CD1 4.41Å; W420-L441 HydrophobicContact CE3-CD1 3.62Å; W420-L441 HydrophobicContact CZ3-CD1 4.26Å; L437-L441 VanDerWaalsContact O-CB 3.29Å; L437-L441 WeakPolarHBondContact O-CB 3.02Å; L437-L441 PolarHBondContact O-N 3.36Å; L438-L441 PolarHBondContact O-N 3.03Å; L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 PolarHBondContact O-N 2.9Å; L441-H444 WeakPolarHBondContact O-CB 3.45Å; L441-H444 PolarHBondContact O-N 3.12Å; L441-T445 PolarHBondContact O-N 3.46Å |
| 442 | R | 91.8 | Very high | 79.4 | Confident | 122 Ų | 122 | 80.7 Ų | 80.7 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -32.2 | 170.8 | -62.7 | 160.6 | -154.8 | 147.5 | 6.9 | 112.4 | E435 L438 I439 H440 H444 T445 A446 | E435-R442 VanDerWaalsContact CD-NH2 3.35Å; E435-R442 IonicContact OE1-CZ 3.23Å; E435-R442 VanDerWaalsContact OE1-CZ 3.23Å; E435-R442 IonicContact OE1-NH1 2.74Å; E435-R442 PolarHBondContact OE1-NH1 3.36Å; E435-R442 IonicContact OE1-NH2 2.78Å; E435-R442 PolarHBondContact OE1-NH2 3.46Å; E435-R442 IonicContact OE2-NH2 3.13Å; E435-R442 PolarHBondContact OE2-NH2 2.79Å; E435-R442 VanDerWaalsContact OE2-NH2 3.13Å; L438-R442 VanDerWaalsContact O-CG 3.23Å; L438-R442 WeakPolarHBondContact O-CG 3.44Å; L438-R442 PolarHBondContact O-N 2.89Å; L438-R442 PolarHBondContact O-NE 3.22Å; I439-R442 VanDerWaalsContact CG1-NH1 3.25Å; I439-R442 WeakPolarHBondContact O-CB 3.21Å; I439-R442 PolarHBondContact O-N 3.41Å; H440-R442 VanDerWaalsContact C-N 3.26Å; H440-R442 PolarHBondContact O-N 2.9Å; R442-H444 VanDerWaalsContact C-N 3.33Å; R442-T445 PolarHBondContact O-OG1 2.98Å; R442-A446 WeakPolarHBondContact O-CB 3.46Å; R442-A446 PolarHBondContact O-N 3.2Å |
| 443 | T | 89.7 | Confident | 77.4 | Confident | 65 Ų | 65 | 84.2 Ų | 84.2 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.9 | -33.2 | 175.1 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | I439 H440 L441 F447 | I439-T443 PolarHBondContact O-N 3.2Å; H440-T443 PolarHBondContact ND1-OG1 3.43Å; H440-T443 VanDerWaalsContact ND1-OG1 3.09Å; H440-T443 WeakPolarHBondContact O-CA 3.49Å; H440-T443 WeakPolarHBondContact O-CB 3.25Å; H440-T443 PolarHBondContact O-N 3.09Å; H440-T443 PolarHBondContact O-OG1 3.22Å; L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 PolarHBondContact O-N 2.9Å; T443-F447 PolarHBondContact O-N 3Å |
| 444 | H | 86.5 | Confident | 75.3 | Confident | 30 Ų | 30 | 89.3 Ų | 89.3 | 14% | 0.139 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 175.6 | -85.3 | -67.9 | 0 | 0 | 0 | 112.4 | W420 C427 H440 L441 R442 T448 | W420-H444 HydrophobicContact CB-CB 4.29Å; W420-H444 AromaticContact CD1-CE1 3.94Å; W420-H444 AromaticContact CD1-CG 3.47Å; W420-H444 VanDerWaalsContact CD1-CG 3.47Å; W420-H444 AromaticContact CD1-ND1 3.24Å; W420-H444 HydrophobicContact CD2-CB 3.78Å; W420-H444 HydrophobicContact CG-CB 3.64Å; W420-H444 AromaticContact CG-CG 3.55Å; W420-H444 AromaticContact CG-ND1 3.78Å; W420-H444 AromaticContact NE1-ND1 3.89Å; C427-H444 VanDerWaalsContact CB-NE2 3.34Å; C427-H444 WeakPolarHBondContact CB-NE2 3.46Å; C427-H444 PolarHBondContact SG-NE2 3.24Å; C427-H444 VanDerWaalsContact SG-NE2 3.36Å; H440-H444 AromaticContact CE1-CD2 3.37Å; H440-H444 PolarHBondContact CE1-CD2 3.28Å; H440-H444 AromaticContact CE1-NE2 3.16Å; H440-H444 PolarHBondContact CE1-NE2 3.2Å; H440-H444 AromaticContact NE2-CD2 3.53Å; H440-H444 AromaticContact NE2-NE2 3.25Å; H440-H444 PolarHBondContact NE2-NE2 3.47Å; H440-H444 PolarHBondContact O-N 3.04Å; L441-H444 WeakPolarHBondContact O-CB 3.45Å; L441-H444 PolarHBondContact O-N 3.12Å; R442-H444 VanDerWaalsContact C-N 3.33Å; H444-T448 WeakPolarHBondContact O-CG2 3.45Å; H444-T448 PolarHBondContact O-OG1 3.06Å; H444-T448 VanDerWaalsContact O-OG1 3.09Å |
| 445 | T | 82.3 | Confident | 72.7 | Confident | 75 Ų | 75 | 92.8 Ų | 92.8 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.7 | -35.3 | 179.2 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | W420 L441 R442 T448 | W420-T445 HydrophobicContact CH2-CG2 3.61Å; W420-T445 HydrophobicContact CZ2-CG2 4.21Å; W420-T445 HydrophobicContact CZ3-CG2 3.97Å; L441-T445 PolarHBondContact O-N 3.46Å; R442-T445 PolarHBondContact O-OG1 2.98Å; T445-T448 PolarHBondContact O-OG1 2.94Å; T445-T448 VanDerWaalsContact O-OG1 3.06Å |
| 446 | A | 71.8 | Confident | 70 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 59% | 0.587 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.2 | -39.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R442 | R442-A446 WeakPolarHBondContact O-CB 3.46Å; R442-A446 PolarHBondContact O-N 3.2Å |
| 447 | F | 57.9 | Low | 67 | Low | 138 Ų | 138 | 98.4 Ų | 98.4 | 61% | 0.605 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -81.4 | -26.8 | -178.2 | -93.5 | -88.2 | 0 | 0 | 0 | 114.1 | T443 G449 A450 E451 | T443-F447 PolarHBondContact O-N 3Å; F447-G449 PolarHBondContact O-N 3.17Å; F447-A450 PolarHBondContact O-N 2.86Å; F447-E451 WeakPolarHBondContact CD1-OE1 3.44Å |
| 448 | T | 58.7 | Low | 65.1 | Low | 85 Ų | 85 | 102 Ų | 102 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -6.1 | -178.4 | 41 | 0 | 0 | 0 | 0 | 115.6 | H444 T445 | H444-T448 WeakPolarHBondContact O-CG2 3.45Å; H444-T448 PolarHBondContact O-OG1 3.06Å; H444-T448 VanDerWaalsContact O-OG1 3.09Å; T445-T448 PolarHBondContact O-OG1 2.94Å; T445-T448 VanDerWaalsContact O-OG1 3.06Å |
| 449 | G | 56.3 | Low | 62.3 | Low | 74 Ų | 74 | 104.2 Ų | 104.2 | 76% | 0.763 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -14.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | F447 | F447-G449 PolarHBondContact O-N 3.17Š|
| 450 | A | 50.1 | Low | 60 | Low | 48 Ų | 48 | 105.5 Ų | 105.5 | 40% | 0.397 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.7 | -22.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | F447 K452 L453 | F447-A450 PolarHBondContact O-N 2.86Å; A450-K452 PolarHBondContact O-N 3.15Å; A450-L453 PolarHBondContact O-N 3.48Å |
| 451 | E | 46 | Very low | 57.5 | Low | 145 Ų | 145 | 109.1 Ų | 109.1 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 17.1 | -163.7 | -60.4 | -58.6 | 114.7 | 0 | 0 | 116.9 | F447 | F447-E451 WeakPolarHBondContact CD1-OE1 3.44Š|
| 452 | K | 46.2 | Very low | 55.4 | Low | 203 Ų | 203 | 112.6 Ų | 112.6 | 88% | 0.883 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | -1.7 | 179.4 | -105 | -171.1 | 176.4 | -174 | 0 | 116.7 | A450 | A450-K452 PolarHBondContact O-N 3.15Š|
| 453 | L | 49 | Very low | 53.2 | Low | 167 Ų | 167 | 114.2 Ų | 114.2 | 87% | 0.874 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | -5.9 | -175.6 | -66.6 | 177.1 | 0 | 0 | 0 | 115.7 | A450 | A450-L453 PolarHBondContact O-N 3.48Š|
| 454 | I | 47.3 | Very low | 51.1 | Low | 155 Ų | 155 | 114.3 Ų | 114.3 | 80% | 0.795 | 69% | 0.689 | S | S | * | * | | | trans | -129.7 | 69.8 | -176.2 | -43.8 | -179.8 | 0 | 0 | 0 | 111 | | |
| 455 | S | 38.8 | Very low | 49.3 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 94% | 0.937 | 72% | 0.715 | S | S | * | * | | | trans | -105.2 | 109.5 | 165.4 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 456 | G | 38.4 | Very low | 47.6 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 134.8 | 46.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 457 | Y | 31.1 | Very low | 46.2 | Very low | 217 Ų | 217 | 117.5 Ų | 117.5 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | | | trans | -158.8 | 137.2 | 147.2 | -134.3 | -92 | 0 | 0 | 0 | 113 | | |
| 458 | P | 53.3 | Low | 45.7 | Very low | 109 Ų | 109 | 114.7 Ų | 114.7 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | | | trans | -104 | 108.2 | 176.5 | 34.8 | -27.8 | 0 | 0 | 0 | 112.5 | | |
| 459 | S | 34.3 | Very low | 45.1 | Very low | 120 Ų | 120 | 114.6 Ų | 114.6 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | | | trans | -167.3 | 151 | 157 | -89.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 460 | S | 44.8 | Very low | 44.5 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | | | trans | -70.7 | 131.9 | -179 | -47.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 461 | S | 40 | Very low | 44.1 | Very low | 93 Ų | 93 | 120 Ų | 120 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | trans | -170.9 | 65.7 | 158.1 | -85.8 | 0 | 0 | 0 | 0 | 112.8 | L463 A464 | S461-L463 PolarHBondContact O-N 2.92Å; S461-A464 PolarHBondContact O-N 3.37Å |
| 462 | S | 48.5 | Very low | 44.1 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 28.3 | -178.1 | -47.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 463 | L | 46.5 | Very low | 43.6 | Very low | 156 Ų | 156 | 112.8 Ų | 112.8 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | -22.6 | -178.7 | -165.9 | 62.4 | 0 | 0 | 0 | 113.3 | S461 | S461-L463 PolarHBondContact O-N 2.92Š|
| 464 | A | 45.5 | Very low | 43.4 | Very low | 68 Ų | 68 | 114.2 Ų | 114.2 | 56% | 0.562 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -36.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S461 A466 A467 | S461-A464 PolarHBondContact O-N 3.37Å; A464-A466 PolarHBondContact O-N 2.98Å; A464-A466 VanDerWaalsContact O-N 3.13Å; A464-A467 PolarHBondContact O-N 2.83Å; A464-A467 VanDerWaalsContact O-N 3.15Å |
| 465 | S | 48.3 | Very low | 42.8 | Very low | 96 Ų | 96 | 115.2 Ų | 115.2 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -65.1 | -20 | -172.3 | -46.4 | 0 | 0 | 0 | 0 | 114.4 | A467 | S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 3.43Å |
| 466 | A | 45.9 | Very low | 42.9 | Very low | 79 Ų | 79 | 117 Ų | 117 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -66.2 | -28.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A464 | A464-A466 PolarHBondContact O-N 2.98Å; A464-A466 VanDerWaalsContact O-N 3.13Å |
| 467 | A | 44.1 | Very low | 42.7 | Very low | 68 Ų | 68 | 122 Ų | 122 | 56% | 0.562 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -74.7 | -33.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A464 S465 A469 A470 | A464-A467 PolarHBondContact O-N 2.83Å; A464-A467 VanDerWaalsContact O-N 3.15Å; S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 3.43Å; A467-A469 PolarHBondContact O-N 3.03Å; A467-A470 PolarHBondContact O-N 2.95Å |
| 468 | A | 46.3 | Very low | 43.1 | Very low | 78 Ų | 78 | 116.4 Ų | 116.4 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -67 | -35.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A470 | A468-A470 PolarHBondContact O-N 3.25Å |
| 469 | A | 46.1 | Very low | 42.6 | Very low | 84 Ų | 84 | 120.4 Ų | 120.4 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -69.1 | -18.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A467 | A467-A469 PolarHBondContact O-N 3.03Š|
| 470 | A | 45 | Very low | 42.8 | Very low | 66 Ų | 66 | 120.9 Ų | 120.9 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | G | 310 helix | trans | -76.6 | -19.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A467 A468 A472 | A467-A470 PolarHBondContact O-N 2.95Å; A468-A470 PolarHBondContact O-N 3.25Å; A470-A472 PolarHBondContact O-N 3.07Å; A470-A472 VanDerWaalsContact O-N 3.17Å |
| 471 | M | 41.6 | Very low | 42.5 | Very low | 168 Ų | 168 | 118.9 Ų | 118.9 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -77.5 | 1.3 | -170.1 | -62 | -60.8 | -69.4 | 0 | 0 | 114.9 | | |
| 472 | A | 44.5 | Very low | 42.3 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -99.9 | -13 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A470 | A470-A472 PolarHBondContact O-N 3.07Å; A470-A472 VanDerWaalsContact O-N 3.17Å |
| 473 | C | 35.6 | Very low | 42.1 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 72% | 0.716 | 75% | 0.752 | S | S | * | * | | | trans | -130 | 98 | -173.2 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | M475 | C473-M475 PolarHBondContact O-N 2.93Š|
| 474 | H | 46.2 | Very low | 41.5 | Very low | 197 Ų | 197 | 114.7 Ų | 114.7 | 91% | 0.912 | 75% | 0.749 | S | S | * | * | | | trans | -67.5 | 91 | 170.6 | -92 | -77.2 | 0 | 0 | 0 | 111.3 | | |
| 475 | M | 33.4 | Very low | 40.9 | Very low | 175 Ų | 175 | 117.5 Ų | 117.5 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | | | trans | -131.1 | 126.5 | 160.2 | -80.6 | -64.3 | 166.4 | 0 | 0 | 110.2 | C473 M477 | C473-M475 PolarHBondContact O-N 2.93Å; M475-M477 PolarHBondContact O-N 3.4Å |
| 476 | H | 40.5 | Very low | 40.8 | Very low | 171 Ų | 171 | 119.1 Ų | 119.1 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | -81.1 | 114.7 | -176.9 | 176.7 | 97 | 0 | 0 | 0 | 110.4 | | |
| 477 | M | 35.4 | Very low | 40.3 | Very low | 173 Ų | 173 | 118.8 Ų | 118.8 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | trans | -123 | 112.8 | 172.7 | -162.8 | 83.4 | 78.6 | 0 | 0 | 108.8 | M475 | M475-M477 PolarHBondContact O-N 3.4Š|
| 478 | P | 40 | Very low | 40 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | trans | -75.4 | 131 | 179.4 | 29.7 | -33.2 | 0 | 0 | 0 | 110.8 | | |
| 479 | Q | 41.9 | Very low | 39.8 | Very low | 194 Ų | 194 | 125.9 Ų | 125.9 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | -73.1 | 133.4 | 171.1 | -77.9 | -175.3 | -56 | 0 | 0 | 111 | G481 | Q479-G481 PolarHBondContact O-N 3.3Š|
| 480 | S | 39.1 | Very low | 39.4 | Very low | 129 Ų | 129 | 128 Ų | 128 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | -72.7 | 105.3 | 169.7 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 481 | G | 38 | Very low | 39.4 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | -108.9 | 148.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q479 | Q479-G481 PolarHBondContact O-N 3.3Š|
| 482 | G | 36.7 | Very low | 39.1 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | trans | -74.8 | 171.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 483 | P | 44.2 | Very low | 38.6 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 92% | 0.922 | 82% | 0.815 | S | S | * | * | | | trans | -84 | 141.1 | -165.5 | 32.7 | -35.9 | 0 | 0 | 0 | 114.6 | | |
| 484 | G | 33.5 | Very low | 38.8 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | -179.2 | 99.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 485 | S | 33.6 | Very low | 38.3 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | 68.8 | 157.7 | 168 | -78.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 486 | P | 44.9 | Very low | 38.6 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -111.8 | 154.5 | -162.1 | 40.1 | -30.5 | 0 | 0 | 0 | 114.9 | | |
| 487 | G | 34.7 | Very low | 38.3 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | -174.3 | 96.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 488 | T | 38.2 | Very low | 38.8 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | trans | 21.6 | 129.4 | 158 | -166.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 489 | L | 43.2 | Very low | 38.7 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | | | trans | -60.7 | 143.8 | 160.5 | -58.9 | 165.6 | 0 | 0 | 0 | 111.3 | | |
| 490 | T | 37.2 | Very low | 38.7 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | | 173.6 | 142.4 | 125.8 | 27.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 491 | L | 45.6 | Very low | 38.8 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | | | trans | -72.2 | 138.4 | 162.5 | -84.1 | 67.2 | 0 | 0 | 0 | 109.5 | | |
| 492 | R | 34.9 | Very low | 38.9 | Very low | 235 Ų | 235 | 130.6 Ų | 130.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -147.3 | 132.7 | 155.9 | -129.8 | 179 | -174.9 | 93.3 | -0.1 | 112.1 | | |
| 493 | S | 33.3 | Very low | 39.6 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 58% | 0.58 | 82% | 0.817 | S | S | * | * | | | trans | -74.4 | 141.6 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | H495 | S493-H495 PolarHBondContact O-N 3.49Å; S493-H495 VanDerWaalsContact O-N 3.17Å |
| 494 | P | 40.1 | Very low | 39.4 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -77.4 | 96.5 | 173.8 | 31.7 | -33.4 | 0 | 0 | 0 | 111.2 | | |
| 495 | H | 36.1 | Very low | 40.4 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | | | trans | -85.4 | 116.6 | 171.5 | -84.3 | -90.8 | 0 | 0 | 0 | 112.2 | S493 | S493-H495 PolarHBondContact O-N 3.49Å; S493-H495 VanDerWaalsContact O-N 3.17Å |
| 496 | H | 38.7 | Very low | 40.9 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | 55.6 | 113.3 | 150.8 | -64.9 | -105.3 | 0 | 0 | 0 | 120.2 | | |
| 497 | A | 36.1 | Very low | 41.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -123.6 | 101.2 | 140.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 498 | L | 44.3 | Very low | 41.3 | Very low | 178 Ų | 178 | 147 Ų | 147 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | | | trans | 26.4 | 102.1 | 161.9 | -54.3 | 179.4 | 0 | 0 | 0 | 119.2 | | |
| 499 | G | 38.3 | Very low | 41.6 | Very low | 78 Ų | 78 | 150.2 Ų | 150.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -155.5 | 111.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 500 | L | 42.6 | Very low | 41.5 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | -86.3 | 122.2 | -168.7 | -71.9 | 173.5 | 0 | 0 | 0 | 113.1 | | |
| 501 | S | 39.8 | Very low | 41.8 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | 33.9 | 110.2 | 149.4 | 61.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 502 | S | 41.2 | Very low | 41.6 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | | -145.6 | 140.3 | 110 | -164.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 503 | R | 50.4 | Low | 42.2 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -93.7 | 131.5 | 174.4 | -80.9 | 179.9 | -78 | -131.7 | -4.7 | 108.5 | H505 | R503-H505 WeakPolarHBondContact CB-NE2 3.27Å; R503-H505 PolarHBondContact O-CD2 3.43Å; R503-H505 PolarHBondContact O-N 3.19Å |
| 504 | Y | 40.6 | Very low | 42.3 | Very low | 222 Ų | 222 | 144.5 Ų | 144.5 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | | | trans | -71.7 | 97.5 | 174.3 | -167.9 | -92.9 | 0 | 0 | 0 | 109.6 | | |
| 505 | H | 54.1 | Low | 42.2 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 56% | 0.556 | 79% | 0.794 | S | S | * | * | | | trans | -92.7 | 116.4 | 176.4 | -73 | -83.6 | 0 | 0 | 0 | 109.4 | R503 Y507 | R503-H505 WeakPolarHBondContact CB-NE2 3.27Å; R503-H505 PolarHBondContact O-CD2 3.43Å; R503-H505 PolarHBondContact O-N 3.19Å; H505-Y507 PolarHBondContact O-N 3.46Å |
| 506 | P | 45.2 | Very low | 42.1 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -72.5 | 1.6 | -172.4 | 29 | -35.7 | 0 | 0 | 0 | 115 | | |
| 507 | Y | 49.4 | Very low | 42.6 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -140.5 | 97 | 174 | -70.9 | -79.4 | 0 | 0 | 0 | 110.2 | H505 | H505-Y507 PolarHBondContact O-N 3.46Š|
| 508 | S | 39.3 | Very low | 42.7 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -143.1 | 142.9 | 163.2 | -78.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 509 | K | 43.9 | Very low | 42.6 | Very low | 204 Ų | 204 | 135 Ų | 135 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 152.2 | -166.8 | -67.5 | 177.3 | 177.9 | 177.4 | 0 | 112 | | |
| 510 | S | 41.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131.6 | 176 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 511 | P | 43.6 | Very low | 42.7 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 127.4 | 174.2 | 32.1 | -32.1 | 0 | 0 | 0 | 111.4 | | |
| 512 | L | 41.5 | Very low | 42.4 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 137.8 | 170.9 | -166.7 | 73.3 | 0 | 0 | 0 | 109.7 | | |
| 513 | P | 46.2 | Very low | 42.2 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 161.4 | 179.2 | 33.6 | -36.1 | 0 | 0 | 0 | 112.7 | | |
| 514 | T | 36.6 | Very low | 41.8 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | | | trans | -160 | 139 | 171.8 | -76.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 515 | G | 37.2 | Very low | 41.5 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | cis | -125.6 | -135.7 | -11.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 516 | A | 35.2 | Very low | 41.3 | Very low | 95 Ų | 95 | 122.1 Ų | 122.1 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | cis | -166.2 | 173.1 | -5.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 517 | P | 47.2 | Very low | 40.7 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | cis | -123.7 | 163.6 | -4.9 | 40.7 | -27 | 0 | 0 | 0 | 115 | | |
| 518 | V | 38.2 | Very low | 40.1 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 36.9 | 126.7 | 137.1 | -178.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 519 | P | 43.4 | Very low | 40 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | cis | -131.1 | 163.1 | 42.6 | 18.5 | 6.4 | 0 | 0 | 0 | 119.6 | | |
| 520 | V | 36.1 | Very low | 40.2 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | | | trans | -64.8 | 168.8 | 166.1 | -97 | 0 | 0 | 0 | 0 | 112.9 | | |
| 521 | P | 46.1 | Very low | 40.1 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | cis | -145.6 | 171.4 | 32.3 | 43.4 | -24.2 | 0 | 0 | 0 | 120.3 | | |
| 522 | A | 33.8 | Very low | 40.1 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | 68.7 | 143.4 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 523 | A | 37.3 | Very low | 40.4 | Very low | 81 Ų | 81 | 124.6 Ų | 124.6 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | cis | -149.3 | 162.5 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 524 | T | 42.6 | Very low | 40.1 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | 38 | 118.4 | 152.2 | 52.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 525 | G | 33.4 | Very low | 40.3 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | -85.1 | -115.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 526 | P | 49.6 | Very low | 40.5 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | | -112.5 | 162.5 | -119.5 | 38.6 | -33.9 | 0 | 0 | 0 | 114.5 | | |
| 527 | Y | 34 | Very low | 40.9 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | | | trans | -167.5 | 158.5 | 140.7 | -127.4 | -123 | 0 | 0 | 0 | 113.3 | | |
| 528 | Y | 35.9 | Very low | 40.9 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 36.8 | 121.3 | 159.5 | -103.6 | -123.3 | 0 | 0 | 0 | 121.2 | | |
| 529 | S | 36.5 | Very low | 40.8 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | | 100.1 | 146.8 | 58.8 | -147.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 530 | P | 48.4 | Very low | 40.7 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | | | trans | -98.7 | 177.1 | -156 | 39.3 | -37.1 | 0 | 0 | 0 | 116 | | |
| 531 | Y | 39.5 | Very low | 40.8 | Very low | 213 Ų | 213 | 139.2 Ų | 139.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | 63.6 | 77.9 | 173.9 | -78.5 | -84 | 0 | 0 | 0 | 116.7 | | |
| 532 | A | 44.2 | Very low | 40.4 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | | | trans | -77.9 | 116.7 | 150 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 533 | L | 46.7 | Very low | 40.9 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | -88 | 161.1 | 171.5 | -76.5 | 167.7 | 0 | 0 | 0 | 111 | | |
| 534 | Y | 40.8 | Very low | 41.2 | Very low | 230 Ų | 230 | 143.6 Ų | 143.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 66.9 | 142 | 176.7 | -90.4 | -108.4 | 0 | 0 | 0 | 116.1 | | |
| 535 | G | 40.7 | Very low | 41 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -98.2 | 150.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 536 | Q | 41.3 | Very low | 41.3 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | | | trans | -99.7 | 152.9 | 170.9 | -135.2 | 68.1 | 31.6 | 0 | 0 | 111.5 | | |
| 537 | R | 43.4 | Very low | 41.2 | Very low | 221 Ų | 221 | 154 Ų | 154 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -109.4 | 115.5 | -158.8 | -178.8 | -172.2 | -168.7 | -132 | 11.2 | 112.4 | | |
| 538 | L | 47.8 | Very low | 41.5 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | trans | -135.4 | 118.2 | 161.8 | -62.8 | 173.5 | 0 | 0 | 0 | 106.8 | | |
| 539 | T | 35.3 | Very low | 41.8 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | | | cis | 100.7 | 59.5 | 24.1 | -143 | 0 | 0 | 0 | 0 | 116.3 | | |
| 540 | T | 42.4 | Very low | 42.1 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | | | trans | -160.7 | 120.1 | 151.1 | 37.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 541 | A | 38 | Very low | 41.7 | Very low | 91 Ų | 91 | 154.5 Ų | 154.5 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | | | | 61.7 | 120.7 | 53.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 542 | T | 37.8 | Very low | 41.9 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | | | cis | -153.6 | 173.6 | 4.9 | -25.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 543 | A | 42.5 | Very low | 41.7 | Very low | 75 Ų | 75 | 153.7 Ų | 153.7 | 62% | 0.62 | 83% | 0.826 | S | S | * | * | | | cis | -152.4 | 171.3 | 16.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 544 | L | 44.2 | Very low | 41.4 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | | | | 42.3 | 131.6 | 102.5 | -53.5 | 174.6 | 0 | 0 | 0 | 116.5 | | |
| 545 | G | 38.3 | Very low | 41.4 | Very low | 60 Ų | 60 | 148.5 Ų | 148.5 | 62% | 0.619 | 83% | 0.825 | S | S | * | * | | | cis | -159.1 | 155.6 | -3.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 546 | Y | 40.5 | Very low | 41.5 | Very low | 234 Ų | 234 | 154.8 Ų | 154.8 | 92% | 0.918 | 83% | 0.832 | S | S | * | * | | | | 39 | 130.2 | 89.1 | -71.8 | -81.4 | 0 | 0 | 0 | 114.1 | | |
| 547 | Q | 46 | Very low | 41.5 | Very low | 257 Ų | 257 | 150.8 Ų | 150.8 | 100% | 1.201 | 82% | 0.823 | S | S | * | * | | | cis | -129.2 | 0 | 25 | -178.9 | 176.8 | -16.5 | 0 | 0 | 113.5 | | |