| 1 | M | 44.6 | Very low | 47.7 | Very low | 244 Ų | 244 | 163.6 Ų | 163.6 | 100% | 1.202 | 85% | 0.853 | S | S | * | * | | | | 0 | 116 | 0 | -80.3 | 168.6 | 174.4 | 0 | 0 | 108.1 | | |
| 2 | M | 43.4 | Very low | 47.1 | Very low | 196 Ų | 196 | 161.3 Ų | 161.3 | 97% | 0.966 | 84% | 0.838 | S | S | * | * | | | trans | -104.1 | 128.6 | 177.2 | -75.4 | 161.3 | 77.4 | 0 | 0 | 108.8 | | |
| 3 | R | 57.4 | Low | 47.2 | Very low | 244 Ų | 244 | 158.6 Ų | 158.6 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | | | trans | -86.4 | 149.3 | -174.4 | -63 | 178.4 | 107 | -169.6 | 4.1 | 111 | | |
| 4 | Q | 46.4 | Very low | 47.2 | Very low | 189 Ų | 189 | 154.9 Ų | 154.9 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | | | trans | -67.7 | 149 | -175.6 | -65.1 | 169.9 | -28.6 | 0 | 0 | 112.7 | | |
| 5 | V | 50.3 | Low | 47.2 | Very low | 132 Ų | 132 | 160.9 Ų | 160.9 | 80% | 0.8 | 84% | 0.84 | S | S | * | * | | | trans | -108.4 | 117.3 | 168.9 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | T7 | V5-T7 HydrophobicContact CG1-CG2 4.4Š|
| 6 | T | 48.9 | Very low | 47.2 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 73% | 0.73 | 84% | 0.835 | S | S | * | * | | | trans | -89.3 | 113.3 | 171.2 | 49.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 7 | T | 49.5 | Very low | 47.1 | Very low | 130 Ų | 130 | 155.1 Ų | 155.1 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | | | trans | -91.2 | 102.9 | 172.8 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | V5 | V5-T7 HydrophobicContact CG1-CG2 4.4Š|
| 8 | S | 50.8 | Low | 46.9 | Very low | 95 Ų | 95 | 153.9 Ų | 153.9 | 66% | 0.664 | 83% | 0.834 | S | S | * | * | | | trans | -125.1 | 88.1 | 174.9 | 60 | 0 | 0 | 0 | 0 | 109.7 | | |
| 9 | D | 48 | Very low | 47.2 | Very low | 162 Ų | 162 | 155 Ų | 155 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | | | trans | -110 | 76.6 | 168.4 | -65.7 | -57.2 | 0 | 0 | 0 | 108.9 | C11 | D9-C11 PolarHBondContact O-N 3.16Š|
| 10 | F | 39 | Very low | 46.8 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 74% | 0.737 | 83% | 0.832 | S | S | * | * | | | trans | -79.9 | 95.7 | 164.3 | -177.7 | -106 | 0 | 0 | 0 | 107.2 | M12 | F10-M12 HydrophobicContact CD1-CE 4.23Å; F10-M12 HydrophobicContact CD1-CG 3.9Å; F10-M12 HydrophobicContact CD1-SD 4.22Å; F10-M12 HydrophobicContact CE1-CE 3.5Å; F10-M12 VanDerWaalsContact CE1-CE 3.5Å; F10-M12 HydrophobicContact CE1-CG 4.15Å; F10-M12 HydrophobicContact CE1-SD 3.98Å; F10-M12 HydrophobicContact CZ-CE 4.37Å; F10-M12 PolarHBondContact O-N 3.04Å |
| 11 | C | 46.6 | Very low | 46.6 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -68.8 | 97.1 | -179.8 | -157.9 | 0 | 0 | 0 | 0 | 109.8 | D9 S13 | D9-C11 PolarHBondContact O-N 3.16Å; C11-S13 PolarHBondContact O-N 3.46Å |
| 12 | M | 40.4 | Very low | 46.8 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | trans | -65.5 | 112.7 | 174.1 | -69.1 | -109 | 61.8 | 0 | 0 | 109.1 | F10 S14 | F10-M12 HydrophobicContact CD1-CE 4.23Å; F10-M12 HydrophobicContact CD1-CG 3.9Å; F10-M12 HydrophobicContact CD1-SD 4.22Å; F10-M12 HydrophobicContact CE1-CE 3.5Å; F10-M12 VanDerWaalsContact CE1-CE 3.5Å; F10-M12 HydrophobicContact CE1-CG 4.15Å; F10-M12 HydrophobicContact CE1-SD 3.98Å; F10-M12 HydrophobicContact CZ-CE 4.37Å; F10-M12 PolarHBondContact O-N 3.04Å; M12-S14 PolarHBondContact O-N 3.46Å; M12-S14 VanDerWaalsContact O-N 3.08Å |
| 13 | S | 48.5 | Very low | 47.2 | Very low | 126 Ų | 126 | 141 Ų | 141 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | -73 | 94.5 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | C11 | C11-S13 PolarHBondContact O-N 3.46Š|
| 14 | S | 47.1 | Very low | 46.8 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -130 | 98.4 | 163.2 | 56.6 | 0 | 0 | 0 | 0 | 109.6 | M12 | M12-S14 PolarHBondContact O-N 3.46Å; M12-S14 VanDerWaalsContact O-N 3.08Å |
| 15 | R | 47.3 | Very low | 46.7 | Very low | 244 Ų | 244 | 137.2 Ų | 137.2 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -23.7 | 170.2 | 166.8 | -72 | 176.5 | 166.1 | -179.3 | -4.5 | 117.5 | | |
| 16 | P | 47.2 | Very low | 46.8 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | cis | -135.5 | 171.2 | -1.7 | 30.5 | -8.2 | 0 | 0 | 0 | 115.5 | | |
| 17 | S | 45.4 | Very low | 47 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | 68.9 | 97.7 | 150.6 | -153.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 18 | C | 44 | Very low | 47.4 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | | | trans | -130.2 | 74.9 | 149.5 | -66.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 19 | L | 51.1 | Low | 47.5 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | | | trans | -87.2 | 90.4 | 156.2 | -110.5 | 174.2 | 0 | 0 | 0 | 106.2 | | |
| 20 | A | 40.9 | Very low | 47.7 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | trans | -161.8 | 126.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 21 | E | 41.4 | Very low | 48.4 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | 63.1 | 99.5 | 160.3 | -80.2 | -93.1 | 86 | 0 | 0 | 115.7 | | |
| 22 | D | 49.3 | Very low | 48.8 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | | 40.3 | 141.1 | 73.4 | -151.6 | 58.1 | 0 | 0 | 0 | 115.8 | | |
| 23 | A | 51.8 | Low | 49.3 | Very low | 59 Ų | 59 | 139.2 Ų | 139.2 | 49% | 0.488 | 80% | 0.796 | S | S | . | * | | | trans | 67 | 90.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 24 | H | 48.9 | Very low | 49.5 | Very low | 177 Ų | 177 | 137 Ų | 137 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | | 153.6 | 93.8 | 126.5 | -75.3 | -58.4 | 0 | 0 | 0 | 108 | P26 | H24-P26 WeakPolarHBondContact O-CD 3.4Š|
| 25 | H | 44.5 | Very low | 49.8 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | | | trans | -71.6 | 112.3 | 168.6 | -62.1 | 72.1 | 0 | 0 | 0 | 108.4 | A27 | H25-A27 PolarHBondContact O-N 3.05Å; H25-A27 VanDerWaalsContact O-N 3.09Å |
| 26 | P | 51.6 | Low | 50.2 | Low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | trans | -73.5 | 93.3 | 147.5 | 30.2 | -30.4 | 0 | 0 | 0 | 106.4 | H24 A28 | H24-P26 WeakPolarHBondContact O-CD 3.4Å; P26-A28 PolarHBondContact O-N 2.99Å |
| 27 | A | 52.8 | Low | 50.5 | Low | 102 Ų | 102 | 133.7 Ų | 133.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -58.8 | 78.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | H25 | H25-A27 PolarHBondContact O-N 3.05Å; H25-A27 VanDerWaalsContact O-N 3.09Å |
| 28 | A | 58.3 | Low | 50.6 | Low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -166.9 | 18.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P26 | P26-A28 PolarHBondContact O-N 2.99Š|
| 29 | H | 54.2 | Low | 51.2 | Low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -109.1 | 5.8 | -175.3 | -165.1 | -91.5 | 0 | 0 | 0 | 115.6 | | |
| 30 | F | 50.6 | Low | 51.5 | Low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -135.8 | 36.8 | 176 | -84.2 | -76.3 | 0 | 0 | 0 | 114.3 | | |
| 31 | D | 54 | Low | 52.7 | Low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | trans | -116.7 | 38 | 170.9 | -115.2 | -32.7 | 0 | 0 | 0 | 113.4 | | |
| 32 | L | 55.5 | Low | 53.7 | Low | 179 Ų | 179 | 139 Ų | 139 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -103.8 | 27.7 | 167.7 | -80 | 165.8 | 0 | 0 | 0 | 112.9 | | |
| 33 | C | 51.5 | Low | 54.4 | Low | 125 Ų | 125 | 137.5 Ų | 137.5 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | | | trans | -139.4 | 48.9 | 163.1 | -121.3 | 0 | 0 | 0 | 0 | 111.2 | S35 | C33-S35 PolarHBondContact O-N 3.33Š|
| 34 | A | 51.8 | Low | 55.3 | Low | 80 Ų | 80 | 140.2 Ų | 140.2 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | | | trans | -57.8 | 109.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q36 | A34-Q36 PolarHBondContact O-N 3.21Å; A34-Q36 VanDerWaalsContact O-N 3.1Å |
| 35 | S | 53.4 | Low | 56.1 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 120.5 | 178.1 | 66.7 | 0 | 0 | 0 | 0 | 108.6 | C33 | C33-S35 PolarHBondContact O-N 3.33Š|
| 36 | Q | 55.7 | Low | 56.9 | Low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128.9 | 174.5 | -71.6 | -152.7 | -1.3 | 0 | 0 | 109.1 | A34 S38 | A34-Q36 PolarHBondContact O-N 3.21Å; A34-Q36 VanDerWaalsContact O-N 3.1Å; Q36-S38 PolarHBondContact O-N 2.86Å |
| 37 | P | 53.2 | Low | 57.4 | Low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 118 | 172.4 | 24.1 | -31.3 | 0 | 0 | 0 | 107.9 | K39 | P37-K39 PolarHBondContact O-N 3.49Š|
| 38 | S | 48.6 | Very low | 57.4 | Low | 85 Ų | 85 | 133.4 Ų | 133.4 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 126.3 | 173.9 | 65.7 | 0 | 0 | 0 | 0 | 108.6 | Q36 F40 | Q36-S38 PolarHBondContact O-N 2.86Å; S38-F40 PolarHBondContact O-N 3.07Å |
| 39 | K | 56.8 | Low | 57 | Low | 208 Ų | 208 | 136.1 Ų | 136.1 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 26.4 | 176.7 | -56 | -172.9 | -175.9 | -172.5 | 0 | 113.5 | P37 | P37-K39 PolarHBondContact O-N 3.49Š|
| 40 | F | 56.9 | Low | 57 | Low | 188 Ų | 188 | 137 Ų | 137 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | 16.9 | -168 | -127 | -87.8 | 0 | 0 | 0 | 114.9 | S38 | S38-F40 PolarHBondContact O-N 3.07Š|
| 41 | Y | 66.4 | Low | 56.7 | Low | 199 Ų | 199 | 135.6 Ų | 135.6 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | -142 | 127.2 | 167.7 | -132.2 | -96.5 | 0 | 0 | 0 | 110.8 | | |
| 42 | P | 62.6 | Low | 56.6 | Low | 101 Ų | 101 | 135.6 Ų | 135.6 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 141.2 | 167.6 | 28.8 | -31.3 | 0 | 0 | 0 | 108.9 | | |
| 43 | P | 64.1 | Low | 56.4 | Low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 146.4 | 175.9 | 27.1 | -33.5 | 0 | 0 | 0 | 110.3 | | |
| 44 | P | 69.7 | Low | 56.5 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.6 | 168.4 | 26.7 | -32.7 | 0 | 0 | 0 | 109.2 | | |
| 45 | P | 65.6 | Low | 56.4 | Low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 144.2 | 179.4 | 26 | -33.2 | 0 | 0 | 0 | 110.3 | A47 | P45-A47 PolarHBondContact O-N 3.21Š|
| 46 | P | 61.7 | Low | 56 | Low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 123.8 | 176.1 | 25.2 | -32.4 | 0 | 0 | 0 | 109.7 | S48 | P46-S48 VanDerWaalsContact C-N 3.26Å; P46-S48 PolarHBondContact O-N 2.91Å |
| 47 | A | 61.8 | Low | 55.7 | Low | 111 Ų | 111 | 134.5 Ų | 134.5 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | | | trans | -73.3 | 84.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P45 | P45-A47 PolarHBondContact O-N 3.21Š|
| 48 | S | 52.6 | Low | 55.5 | Low | 86 Ų | 86 | 136.9 Ų | 136.9 | 60% | 0.601 | 78% | 0.781 | S | S | * | * | | | trans | -143.6 | 122 | 165.6 | 54.1 | 0 | 0 | 0 | 0 | 112 | P46 | P46-S48 VanDerWaalsContact C-N 3.26Å; P46-S48 PolarHBondContact O-N 2.91Å |
| 49 | L | 49.4 | Very low | 55.5 | Low | 149 Ų | 149 | 138.7 Ų | 138.7 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | 82.6 | 79 | 148.8 | -64.4 | 156.4 | 0 | 0 | 0 | 116.7 | | |
| 50 | Q | 55.8 | Low | 55.1 | Low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | | 35.4 | 94.1 | 129.6 | -58 | -158.5 | -3.3 | 0 | 0 | 116.2 | | |
| 51 | M | 43.6 | Very low | 54.6 | Low | 167 Ų | 167 | 133 Ų | 133 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | | | trans | -112.1 | 110 | 149.5 | -71.4 | -66 | 143.5 | 0 | 0 | 108 | L53 | M51-L53 HydrophobicContact CB-CD1 4.31Å; M51-L53 PolarHBondContact O-N 3.01Å |
| 52 | T | 52.4 | Low | 53.4 | Low | 139 Ų | 139 | 128 Ų | 128 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -50.6 | 103.4 | 170.1 | -44.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 53 | L | 50.8 | Low | 52.6 | Low | 158 Ų | 158 | 131.3 Ų | 131.3 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -119.4 | 117.4 | 159.3 | -83.6 | 93.1 | 0 | 0 | 0 | 108.8 | M51 | M51-L53 HydrophobicContact CB-CD1 4.31Å; M51-L53 PolarHBondContact O-N 3.01Å |
| 54 | A | 53.3 | Low | 51.8 | Low | 84 Ų | 84 | 134.5 Ų | 134.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | -48.3 | 152.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | M56 | A54-M56 PolarHBondContact O-N 3.14Å; A54-M56 VanDerWaalsContact O-N 3.16Å |
| 55 | P | 49.8 | Very low | 51.1 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -75.4 | 110.4 | -176.7 | 31.3 | -30.8 | 0 | 0 | 0 | 109.2 | | |
| 56 | M | 45.7 | Very low | 50.2 | Low | 181 Ų | 181 | 137.7 Ų | 137.7 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 121 | 160.6 | -80.2 | -60.6 | -55.1 | 0 | 0 | 108.7 | A54 | A54-M56 PolarHBondContact O-N 3.14Å; A54-M56 VanDerWaalsContact O-N 3.16Å |
| 57 | A | 48 | Very low | 49.4 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 139.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 58 | L | 49.4 | Very low | 48.4 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 138.8 | 163.5 | -73.1 | 152.6 | 0 | 0 | 0 | 110.4 | | |
| 59 | P | 48.8 | Very low | 48 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -87.4 | 107.5 | 152.3 | 30.4 | -23.7 | 0 | 0 | 0 | 109 | | |
| 60 | A | 48.3 | Very low | 47.7 | Very low | 94 Ų | 94 | 144 Ų | 144 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | | | trans | -80.2 | 114.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 61 | Q | 47.6 | Very low | 47 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -152.3 | 98 | 158.4 | -66.8 | -161.3 | -11.5 | 0 | 0 | 107.3 | | |
| 62 | S | 41.2 | Very low | 47.1 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | | | | 68.1 | 106.7 | 82.5 | 84.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 63 | H | 45.6 | Very low | 46.9 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | 49.5 | 123.8 | 155.5 | -48.3 | -75.3 | 0 | 0 | 0 | 119 | | |
| 64 | K | 47.9 | Very low | 46.6 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | | | | -170.1 | 148.3 | 66.1 | -68.1 | 151.4 | -170.5 | 179.7 | 0 | 110 | | |
| 65 | P | 54.8 | Low | 45.8 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | trans | -82.6 | 113.9 | 164.4 | 31.2 | -28.1 | 0 | 0 | 0 | 110.2 | | |
| 66 | L | 45.8 | Very low | 45.2 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -95.1 | 102.9 | 176.3 | -92.3 | 149.4 | 0 | 0 | 0 | 111.1 | | |
| 67 | G | 44 | Very low | 45 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | 33 | 121.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | H69 | G67-H69 PolarHBondContact O-N 2.78Š|
| 68 | C | 42 | Very low | 45.2 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 96% | 0.959 | 79% | 0.789 | S | S | * | * | | | trans | -53.6 | 120.8 | 154.7 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 69 | H | 44.3 | Very low | 44.8 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -111.5 | 104.9 | 165.5 | -168.3 | 58.6 | 0 | 0 | 0 | 110 | G67 | G67-H69 PolarHBondContact O-N 2.78Š|
| 70 | R | 43.5 | Very low | 44.3 | Very low | 213 Ų | 213 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -67.7 | 123.4 | 165.9 | -174.6 | -173.1 | 168.1 | -155.2 | -7.8 | 107 | D72 | R70-D72 PolarHBondContact O-N 3.22Š|
| 71 | Q | 40 | Very low | 44.4 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -61 | 110.3 | 174.8 | -77.3 | -178.3 | 16.3 | 0 | 0 | 109.7 | | |
| 72 | D | 45.4 | Very low | 43.8 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 60% | 0.599 | 79% | 0.791 | S | S | * | * | | | trans | -112.2 | 98.9 | 159.3 | -157.9 | -75 | 0 | 0 | 0 | 105.1 | R70 L74 | R70-D72 PolarHBondContact O-N 3.22Å; D72-L74 PolarHBondContact O-N 3.04Å |
| 73 | L | 49.1 | Very low | 43.4 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -93.6 | 89.3 | 174.7 | -95.9 | 150.7 | 0 | 0 | 0 | 107.8 | | |
| 74 | L | 44.9 | Very low | 43.4 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | trans | -45.8 | 145.2 | 153.6 | -57.7 | 161 | 0 | 0 | 0 | 109.6 | D72 | D72-L74 PolarHBondContact O-N 3.04Š|
| 75 | G | 35.8 | Very low | 43.1 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | cis | 165.5 | 151.3 | 5.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 76 | A | 36.6 | Very low | 42.1 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -159.8 | 111.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 77 | D | 41.1 | Very low | 42.1 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | 66.1 | 121.1 | 153.2 | -145.5 | -12.9 | 0 | 0 | 0 | 122.4 | | |
| 78 | P | 54.1 | Low | 41.7 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | | | trans | -101.9 | 103.9 | 167.8 | 35.7 | -23.1 | 0 | 0 | 0 | 112 | | |
| 79 | R | 40.4 | Very low | 41.4 | Very low | 248 Ų | 248 | 142.5 Ų | 142.5 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | | | trans | 150.5 | 105.7 | 143.3 | -85.6 | 165.6 | 175.8 | -162.2 | -0 | 112.1 | | |
| 80 | A | 38.5 | Very low | 41 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | | | trans | -172.4 | 136.3 | 131.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 81 | P | 49.4 | Very low | 40.6 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -88.9 | 138.3 | 176.4 | 34.4 | -29.1 | 0 | 0 | 0 | 110.8 | | |
| 82 | G | 35.7 | Very low | 40.2 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | 129.3 | 147.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 83 | K | 33.5 | Very low | 39.8 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | 90.6 | 100.5 | 151.9 | -52.9 | 175.8 | -167.4 | -73.7 | 0 | 115.8 | P85 | K83-P85 WeakPolarHBondContact O-CD 3.14Š|
| 84 | M | 45.2 | Very low | 39.4 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | | | trans | -60.5 | 136.4 | 147.4 | -66.9 | -79 | -73 | 0 | 0 | 109.6 | | |
| 85 | P | 41.9 | Very low | 38.9 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | trans | -130.3 | 127.4 | 135.4 | 27.1 | -10.9 | 0 | 0 | 0 | 108 | K83 | K83-P85 WeakPolarHBondContact O-CD 3.14Š|
| 86 | G | 32.4 | Very low | 38.9 | Very low | 69 Ų | 69 | 139.7 Ų | 139.7 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | | 129.3 | 122.7 | 64.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | K88 | G86-K88 PolarHBondContact O-N 3.31Š|
| 87 | L | 46.7 | Very low | 39.5 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | | | trans | -60.6 | 125.3 | 177.4 | -67.4 | 139.3 | 0 | 0 | 0 | 110.9 | | |
| 88 | K | 35.5 | Very low | 39.9 | Very low | 209 Ų | 209 | 142.1 Ų | 142.1 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | trans | -137.6 | 116.7 | 144.5 | -83.4 | -174 | 175.1 | -178.4 | 0 | 104.5 | G86 | G86-K88 PolarHBondContact O-N 3.31Š|
| 89 | G | 35.7 | Very low | 39.7 | Very low | 78 Ų | 78 | 146.4 Ų | 146.4 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | cis | 98.1 | 65.7 | 33.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 90 | S | 35.3 | Very low | 40 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | | | trans | -161.6 | 88.8 | 153 | 51.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 91 | E | 34.4 | Very low | 40.3 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 76% | 0.757 | 84% | 0.835 | S | S | * | * | | | | 72.7 | 96.3 | 97.8 | -151.4 | -137.4 | 130.1 | 0 | 0 | 112.2 | | |
| 92 | Q | 32.9 | Very low | 40.3 | Very low | 165 Ų | 165 | 149.7 Ų | 149.7 | 77% | 0.771 | 84% | 0.836 | S | S | * | * | | | | 156.8 | 90.7 | 127.9 | -83.6 | 178.9 | 15 | 0 | 0 | 112.3 | | |
| 93 | T | 36.5 | Very low | 40.8 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 85% | 0.847 | 83% | 0.832 | S | S | * | * | | | trans | -128.5 | 156.5 | 131.7 | 47.8 | 0 | 0 | 0 | 0 | 105.3 | | |
| 94 | P | 41.6 | Very low | 41.5 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 83% | 0.833 | S | S | * | * | | | cis | -139.1 | 160.5 | 16.3 | 38.1 | -18.3 | 0 | 0 | 0 | 115.8 | | |
| 95 | G | 34.1 | Very low | 41.6 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | trans | 93 | 112.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 96 | E | 34.9 | Very low | 42.3 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 94% | 0.935 | 83% | 0.829 | S | S | * | * | | | | -172.7 | 147.1 | 105.2 | -90.1 | -136.7 | 144 | 0 | 0 | 111 | | |
| 97 | A | 49.7 | Very low | 43.3 | Very low | 98 Ų | 98 | 146 Ų | 146 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | | | trans | -78.6 | 123.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 98 | K | 49.3 | Very low | 43.8 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | | | trans | -159.6 | 50.5 | 149.1 | -133.6 | 168.6 | -175.3 | 168.9 | 0 | 114.5 | K100 | K98-K100 PolarHBondContact O-N 3.25Š|
| 99 | K | 49.3 | Very low | 44.9 | Very low | 199 Ų | 199 | 142.7 Ų | 142.7 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | | | trans | -85.7 | 108.5 | 164.2 | -138.2 | 174.6 | -169.4 | 173.8 | 0 | 108 | T101 | K99-T101 PolarHBondContact O-N 2.87Š|
| 100 | K | 46.9 | Very low | 46.2 | Very low | 206 Ų | 206 | 151.1 Ų | 151.1 | 90% | 0.896 | 83% | 0.83 | S | S | * | * | | | trans | -53.8 | 103.4 | 171.9 | -87.9 | -177.3 | 174 | 178.9 | 0 | 109.2 | K98 K102 | K98-K100 PolarHBondContact O-N 3.25Å; K100-K102 PolarHBondContact O-N 2.97Å |
| 101 | T | 46.3 | Very low | 47.3 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | | | trans | -58 | 95.2 | 172.8 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | K99 | K99-T101 PolarHBondContact O-N 2.87Š|
| 102 | K | 48.6 | Very low | 49 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | | | trans | -98.5 | 94.2 | 165.5 | -167.9 | 166.4 | -177.7 | 173.2 | 0 | 108.8 | K100 | K100-K102 PolarHBondContact O-N 2.97Š|
| 103 | G | 45.3 | Very low | 50.6 | Low | 63 Ų | 63 | 146.2 Ų | 146.2 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | | | trans | 58.1 | 89.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G105 | G103-G105 PolarHBondContact O-N 2.82Š|
| 104 | A | 48.8 | Very low | 51.7 | Low | 106 Ų | 106 | 148.6 Ų | 148.6 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | trans | -64.2 | 77.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 105 | G | 48.1 | Very low | 52.5 | Low | 67 Ų | 67 | 144.8 Ų | 144.8 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | -82.3 | 115.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | G103 S107 | G103-G105 PolarHBondContact O-N 2.82Å; G105-S107 PolarHBondContact O-N 3.09Å |
| 106 | K | 55.8 | Low | 53.6 | Low | 217 Ų | 217 | 144.2 Ų | 144.2 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | | | trans | -48.8 | 97.2 | 176.6 | -60.7 | 165 | 179.6 | 178.4 | 0 | 111.2 | | |
| 107 | S | 53 | Low | 54.6 | Low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | -88.2 | 122 | 167 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | G105 | G105-S107 PolarHBondContact O-N 3.09Š|
| 108 | G | 57.6 | Low | 54.9 | Low | 63 Ų | 63 | 140.8 Ų | 140.8 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | trans | -55.2 | 135.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R110 | G108-R110 PolarHBondContact O-N 2.72Š|
| 109 | R | 58.1 | Low | 55.1 | Low | 256 Ų | 256 | 138.9 Ų | 138.9 | 97% | 0.966 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -59.9 | 32.8 | 178 | -99.2 | -178.1 | 173.3 | -130.7 | 2.7 | 116.9 | | |
| 110 | R | 63 | Low | 55.2 | Low | 255 Ų | 255 | 132.2 Ų | 132.2 | 96% | 0.962 | 73% | 0.733 | S | S | * | * | | | trans | -144.9 | 44 | 170.4 | -63.9 | -169.9 | -168.7 | -145.6 | 3.1 | 112.7 | G108 | G108-R110 PolarHBondContact O-N 2.72Š|
| 111 | G | 60.3 | Low | 55.7 | Low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -121.3 | 133.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 112 | R | 69.4 | Low | 55.9 | Low | 184 Ų | 184 | 128.1 Ų | 128.1 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | | | trans | -44.1 | 132.3 | 176.7 | -155.6 | 178.9 | -172.4 | -174.7 | 1.9 | 110.2 | L114 T116 T117 | R112-L114 PolarHBondContact O-N 2.66Å; R112-T116 WeakPolarHBondContact CG-OG1 3.43Å; R112-T116 PolarHBondContact NE-OG1 2.86Å; R112-T117 VanDerWaalsContact NH1-CG2 3.34Å |
| 113 | P | 65.5 | Low | 56.1 | Low | 92 Ų | 92 | 129.7 Ų | 129.7 | 60% | 0.597 | 72% | 0.721 | S | S | * | * | | | trans | -55.6 | 135.4 | -174.2 | 10.5 | -19.2 | 0 | 0 | 0 | 111.4 | G115 T116 | P113-G115 PolarHBondContact O-N 3.41Å; P113-T116 HydrophobicContact CB-CG2 4.29Å; P113-T116 HydrophobicContact CG-CG2 3.72Å; P113-T116 PolarHBondContact O-N 2.92Å |
| 114 | L | 59.8 | Low | 56.6 | Low | 188 Ų | 188 | 130.9 Ų | 130.9 | 98% | 0.984 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 101.7 | -179.6 | -69.1 | 169.5 | 0 | 0 | 0 | 108.8 | R112 | R112-L114 PolarHBondContact O-N 2.66Š|
| 115 | G | 59.1 | Low | 56.8 | Low | 45 Ų | 45 | 130.7 Ų | 130.7 | 46% | 0.464 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 137.4 | -16.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P113 T117 | P113-G115 PolarHBondContact O-N 3.41Å; G115-T117 VanDerWaalsContact C-N 3.29Å; G115-T117 PolarHBondContact O-N 3.27Å |
| 116 | T | 55.9 | Low | 57.1 | Low | 61 Ų | 61 | 135 Ų | 135 | 37% | 0.374 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | -6 | -172 | 65.8 | 0 | 0 | 0 | 0 | 115.3 | R112 P113 | R112-T116 WeakPolarHBondContact CG-OG1 3.43Å; R112-T116 PolarHBondContact NE-OG1 2.86Å; P113-T116 HydrophobicContact CB-CG2 4.29Å; P113-T116 HydrophobicContact CG-CG2 3.72Å; P113-T116 PolarHBondContact O-N 2.92Å |
| 117 | T | 56.5 | Low | 57 | Low | 64 Ų | 64 | 126.3 Ų | 126.3 | 39% | 0.393 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -8 | -179.6 | 39 | 0 | 0 | 0 | 0 | 114.5 | R112 G115 | R112-T117 VanDerWaalsContact NH1-CG2 3.34Å; G115-T117 VanDerWaalsContact C-N 3.29Å; G115-T117 PolarHBondContact O-N 3.27Å |
| 118 | K | 55.4 | Low | 57.4 | Low | 162 Ų | 162 | 127.7 Ų | 127.7 | 70% | 0.704 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -95.9 | -22.9 | -176.1 | -73 | -176.3 | 176 | 176.8 | 0 | 114.8 | | |
| 119 | L | 54.5 | Low | 57.4 | Low | 169 Ų | 169 | 129.5 Ų | 129.5 | 89% | 0.885 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -95.1 | -14.7 | -171.3 | -67.9 | 171.3 | 0 | 0 | 0 | 114.7 | | |
| 120 | A | 51.3 | Low | 57.1 | Low | 59 Ų | 59 | 125 Ų | 125 | 49% | 0.488 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -101.7 | 17.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y122 | A120-Y122 HydrophobicContact CB-CD2 3.61Å; A120-Y122 HydrophobicContact CB-CE2 3.88Å; A120-Y122 WeakPolarHBondContact O-CD2 2.95Å; A120-Y122 PolarHBondContact O-N 3.07Å |
| 121 | G | 56.8 | Low | 56.8 | Low | 75 Ų | 75 | 115.3 Ų | 115.3 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | | | trans | 64.4 | -0.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R123 | G121-R123 PolarHBondContact O-N 3.1Š|
| 122 | Y | 50.1 | Low | 56.5 | Low | 182 Ų | 182 | 113.7 Ų | 113.7 | 71% | 0.714 | 63% | 0.633 | S | S | * | * | | | trans | -68.2 | 115.7 | 175.7 | -71.1 | -84.2 | 0 | 0 | 0 | 110 | A120 T124 | A120-Y122 HydrophobicContact CB-CD2 3.61Å; A120-Y122 HydrophobicContact CB-CE2 3.88Å; A120-Y122 WeakPolarHBondContact O-CD2 2.95Å; A120-Y122 PolarHBondContact O-N 3.07Å; Y122-T124 PolarHBondContact O-N 3.2Å |
| 123 | R | 54.1 | Low | 55.8 | Low | 238 Ų | 238 | 110.5 Ų | 110.5 | 90% | 0.898 | 64% | 0.635 | S | S | * | * | | | trans | -59.5 | 112.7 | 161.8 | -69.2 | -159.5 | 158.6 | -161 | -5.7 | 107.2 | G121 S125 | G121-R123 PolarHBondContact O-N 3.1Å; R123-S125 VanDerWaalsContact C-N 3.32Å; R123-S125 PolarHBondContact O-N 3.39Å |
| 124 | T | 56 | Low | 55.2 | Low | 89 Ų | 89 | 117.7 Ų | 117.7 | 55% | 0.546 | 65% | 0.65 | S | S | . | * | | | trans | -55.8 | 102.2 | 166.9 | 47.8 | 0 | 0 | 0 | 0 | 106.9 | Y122 T126 G127 | Y122-T124 PolarHBondContact O-N 3.2Å; T124-T126 VanDerWaalsContact C-N 3.34Å; T124-T126 PolarHBondContact O-N 3.01Å; T124-G127 PolarHBondContact O-N 2.9Å; T124-G127 VanDerWaalsContact O-N 3.09Å |
| 125 | S | 52.3 | Low | 54.9 | Low | 101 Ų | 101 | 112.2 Ų | 112.2 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -27.5 | 82.8 | -173.9 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | R123 G127 | R123-S125 VanDerWaalsContact C-N 3.32Å; R123-S125 PolarHBondContact O-N 3.39Å; S125-G127 WeakPolarHBondContact O-CA 3.44Å; S125-G127 PolarHBondContact O-N 3.36Å |
| 126 | T | 54.3 | Low | 54.6 | Low | 157 Ų | 157 | 115.1 Ų | 115.1 | 96% | 0.963 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 34 | 36 | -176.2 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | T124 R128 | T124-T126 VanDerWaalsContact C-N 3.34Å; T124-T126 PolarHBondContact O-N 3.01Å; T126-R128 PolarHBondContact O-N 2.79Å |
| 127 | G | 53.6 | Low | 54.4 | Low | 36 Ų | 36 | 114.1 Ų | 114.1 | 37% | 0.371 | 65% | 0.653 | S | S | . | * | | | trans | -115 | 78.8 | -145.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T124 S125 | T124-G127 PolarHBondContact O-N 2.9Å; T124-G127 VanDerWaalsContact O-N 3.09Å; S125-G127 WeakPolarHBondContact O-CA 3.44Å; S125-G127 PolarHBondContact O-N 3.36Å |
| 128 | R | 61.5 | Low | 53.9 | Low | 145 Ų | 145 | 117.1 Ų | 117.1 | 55% | 0.547 | 66% | 0.661 | S | S | . | * | | | trans | 55 | 107.6 | 171 | -72.2 | -177.7 | -174.9 | -106 | 0.7 | 115.1 | T126 T132 | T126-R128 PolarHBondContact O-N 2.79Å; R128-T132 WeakPolarHBondContact CB-OG1 3.45Å |
| 129 | P | 57.5 | Low | 53.7 | Low | 100 Ų | 100 | 117 Ų | 117 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | | | trans | -58.5 | 143.8 | 176.1 | 19.9 | -26.7 | 0 | 0 | 0 | 111.3 | G131 T132 | P129-G131 PolarHBondContact O-N 3.38Å; P129-T132 HydrophobicContact CG-CG2 3.77Å; P129-T132 PolarHBondContact O-N 2.93Å; P129-T132 VanDerWaalsContact O-N 3.14Å; P129-T132 PolarHBondContact O-OG1 2.93Å |
| 130 | L | 53.1 | Low | 53.7 | Low | 161 Ų | 161 | 113 Ų | 113 | 84% | 0.843 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | 101.7 | 178.7 | -79.6 | 156.9 | 0 | 0 | 0 | 109.3 | | |
| 131 | G | 55.5 | Low | 53.5 | Low | 53 Ų | 53 | 114.1 Ų | 114.1 | 55% | 0.546 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 141.3 | -21.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P129 T133 | P129-G131 PolarHBondContact O-N 3.38Å; G131-T133 PolarHBondContact O-N 3.01Å |
| 132 | T | 53.5 | Low | 53.5 | Low | 26 Ų | 26 | 117.5 Ų | 117.5 | 16% | 0.16 | 66% | 0.655 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | 1.6 | -168.3 | 54.1 | 0 | 0 | 0 | 0 | 116.9 | R128 P129 F138 | R128-T132 WeakPolarHBondContact CB-OG1 3.45Å; P129-T132 HydrophobicContact CG-CG2 3.77Å; P129-T132 PolarHBondContact O-N 2.93Å; P129-T132 VanDerWaalsContact O-N 3.14Å; P129-T132 PolarHBondContact O-OG1 2.93Å; T132-F138 HydrophobicContact CG2-CD2 4.04Å; T132-F138 HydrophobicContact CG2-CE2 4.21Å; T132-F138 HydrophobicContact CG2-CG 4.35Å |
| 133 | T | 54.5 | Low | 53.6 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 7.8 | -179.9 | 43.3 | 0 | 0 | 0 | 0 | 114.7 | G131 | G131-T133 PolarHBondContact O-N 3.01Š|
| 134 | R | 53.9 | Low | 53.9 | Low | 243 Ų | 243 | 107.5 Ų | 107.5 | 92% | 0.917 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | -14.9 | 179.9 | -132 | 179.5 | 179.2 | -172.6 | -0.6 | 116.1 | | |
| 135 | A | 52.5 | Low | 54.3 | Low | 72 Ų | 72 | 107.4 Ų | 107.4 | 60% | 0.595 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -84.3 | 119.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | G137 | A135-G137 PolarHBondContact O-N 3.36Š|
| 136 | A | 53.8 | Low | 54.5 | Low | 107 Ų | 107 | 107.7 Ų | 107.7 | 88% | 0.884 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 104.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 137 | G | 52.5 | Low | 54.6 | Low | 39 Ų | 39 | 102.5 Ų | 102.5 | 40% | 0.402 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 154.1 | -13.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | A135 K139 L146 | A135-G137 PolarHBondContact O-N 3.36Å; G137-K139 PolarHBondContact O-N 2.78Å; G137-K139 VanDerWaalsContact O-N 3.07Å; G137-L146 WeakPolarHBondContact O-CD1 2.96Å |
| 138 | F | 45.1 | Very low | 54.7 | Low | 128 Ų | 128 | 104.9 Ų | 104.9 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | | | trans | -76.2 | 104.4 | 176 | -161.9 | -98.4 | 0 | 0 | 0 | 109.2 | T132 T140 | T132-F138 HydrophobicContact CG2-CD2 4.04Å; T132-F138 HydrophobicContact CG2-CE2 4.21Å; T132-F138 HydrophobicContact CG2-CG 4.35Å; F138-T140 PolarHBondContact O-N 3.41Å |
| 139 | K | 52.1 | Low | 54.4 | Low | 159 Ų | 159 | 103 Ų | 103 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | | | trans | -54.8 | 98.6 | -178 | -65.2 | -176.4 | 179.9 | 179.9 | 0 | 110.1 | G137 S141 L146 | G137-K139 PolarHBondContact O-N 2.78Å; G137-K139 VanDerWaalsContact O-N 3.07Å; K139-S141 PolarHBondContact O-N 3.09Å; K139-L146 HydrophobicContact CG-CD1 4.07Å |
| 140 | T | 53.8 | Low | 54.3 | Low | 84 Ų | 84 | 109.8 Ų | 109.8 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -68.4 | 109.4 | 161.2 | 51.2 | 0 | 0 | 0 | 0 | 106.7 | F138 | F138-T140 PolarHBondContact O-N 3.41Š|
| 141 | S | 46.6 | Very low | 54.5 | Low | 83 Ų | 83 | 106.4 Ų | 106.4 | 58% | 0.58 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 59 | 150.3 | -179.6 | 74.2 | 0 | 0 | 0 | 0 | 116.5 | K139 G143 | K139-S141 PolarHBondContact O-N 3.09Å; S141-G143 PolarHBondContact O-N 2.84Å |
| 142 | P | 56.3 | Low | 54.5 | Low | 146 Ų | 146 | 107.9 Ų | 107.9 | 95% | 0.948 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -5.5 | -173.8 | -22 | 33.6 | 0 | 0 | 0 | 115.9 | | |
| 143 | G | 53.7 | Low | 54.8 | Low | 65 Ų | 65 | 110.3 Ų | 110.3 | 67% | 0.67 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 0.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S141 P145 | S141-G143 PolarHBondContact O-N 2.84Å; G143-P145 VanDerWaalsContact O-CD 3.28Å; G143-P145 WeakPolarHBondContact O-CD 3.28Å |
| 144 | R | 60.8 | Low | 54.7 | Low | 146 Ų | 146 | 114.8 Ų | 114.8 | 55% | 0.551 | 67% | 0.671 | S | S | * | * | | | trans | -112.2 | 96.6 | -178.7 | -155.7 | 167.9 | -172.1 | -85.1 | 0.6 | 111.8 | L146 | R144-L146 PolarHBondContact O-N 2.93Š|
| 145 | P | 62.5 | Low | 55.1 | Low | 87 Ų | 87 | 112.8 Ų | 112.8 | 57% | 0.565 | 67% | 0.669 | S | S | * | * | | | trans | -61.4 | 132.3 | 175.9 | 15.2 | -20.3 | 0 | 0 | 0 | 110.5 | G143 G147 T148 | G143-P145 VanDerWaalsContact O-CD 3.28Å; G143-P145 WeakPolarHBondContact O-CD 3.28Å; P145-G147 PolarHBondContact O-N 2.69Å; P145-T148 HydrophobicContact CB-CG2 4.38Å; P145-T148 HydrophobicContact CG-CG2 3.72Å |
| 146 | L | 57.1 | Low | 55.5 | Low | 107 Ų | 107 | 114.8 Ų | 114.8 | 56% | 0.56 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 99.9 | 175.5 | -77.4 | 142.1 | 0 | 0 | 0 | 108.5 | G137 K139 R144 | G137-L146 WeakPolarHBondContact O-CD1 2.96Å; K139-L146 HydrophobicContact CG-CD1 4.07Å; R144-L146 PolarHBondContact O-N 2.93Å |
| 147 | G | 57.9 | Low | 55.9 | Low | 48 Ų | 48 | 114.4 Ų | 114.4 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 140.8 | -3.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | P145 T149 R150 | P145-G147 PolarHBondContact O-N 2.69Å; G147-T149 PolarHBondContact O-N 2.8Å; G147-R150 PolarHBondContact O-N 3.37Å |
| 148 | T | 54.1 | Low | 56.6 | Low | 85 Ų | 85 | 118.4 Ų | 118.4 | 52% | 0.521 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -4.9 | -171.6 | 56.3 | 0 | 0 | 0 | 0 | 116.3 | P145 | P145-T148 HydrophobicContact CB-CG2 4.38Å; P145-T148 HydrophobicContact CG-CG2 3.72Å |
| 149 | T | 55.8 | Low | 57.6 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 64% | 0.644 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 0.8 | -176.7 | -13.9 | 0 | 0 | 0 | 0 | 114.4 | G147 | G147-T149 PolarHBondContact O-N 2.8Š|
| 150 | R | 54.6 | Low | 58.3 | Low | 243 Ų | 243 | 114.5 Ų | 114.5 | 92% | 0.917 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | -16.1 | -176.2 | -151.9 | 176.1 | 178.3 | -170.7 | -1.7 | 116.6 | G147 | G147-R150 PolarHBondContact O-N 3.37Š|
| 151 | A | 58.9 | Low | 59 | Low | 91 Ų | 91 | 114.8 Ų | 114.8 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -96 | -12.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G153 | A151-G153 PolarHBondContact O-N 2.84Š|
| 152 | A | 54.8 | Low | 59.7 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -95.9 | 25 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y154 | A152-Y154 PolarHBondContact O-N 2.64Š|
| 153 | G | 60.2 | Low | 59.8 | Low | 77 Ų | 77 | 113 Ų | 113 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | | | trans | 60.7 | -5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | A151 K155 | A151-G153 PolarHBondContact O-N 2.84Å; G153-K155 PolarHBondContact O-N 3.08Å |
| 154 | Y | 52.3 | Low | 60 | Low | 213 Ų | 213 | 112.9 Ų | 112.9 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | | | trans | -68.7 | 124.6 | 176.4 | -108.5 | -99 | 0 | 0 | 0 | 108.9 | A152 V156 | A152-Y154 PolarHBondContact O-N 2.64Å; Y154-V156 VanDerWaalsContact C-N 3.26Å; Y154-V156 PolarHBondContact O-N 3.07Å |
| 155 | K | 61.8 | Low | 60.2 | Low | 201 Ų | 201 | 112.6 Ų | 112.6 | 87% | 0.874 | 68% | 0.675 | S | S | * | * | | | trans | -60.5 | 92.5 | 167.6 | -68.3 | -96.5 | 178.5 | 171.3 | 0 | 107.2 | G153 S157 | G153-K155 PolarHBondContact O-N 3.08Å; K155-S157 PolarHBondContact O-N 3.35Å |
| 156 | V | 60.7 | Low | 59.9 | Low | 113 Ų | 113 | 117.9 Ų | 117.9 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | | | trans | -58.2 | 114.9 | 154.2 | -86.3 | 0 | 0 | 0 | 0 | 104.5 | Y154 | Y154-V156 VanDerWaalsContact C-N 3.26Å; Y154-V156 PolarHBondContact O-N 3.07Å |
| 157 | S | 62.3 | Low | 60.1 | Low | 99 Ų | 99 | 115 Ų | 115 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | | | trans | -42.8 | 132.1 | 168.2 | 33.8 | 0 | 0 | 0 | 0 | 106.5 | K155 G159 | K155-S157 PolarHBondContact O-N 3.35Å; S157-G159 PolarHBondContact O-N 3.15Å |
| 158 | P | 66.4 | Low | 59.9 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | | | trans | -58.7 | 99.9 | -177.4 | -12.2 | 22.4 | 0 | 0 | 0 | 106.2 | R160 | P158-R160 PolarHBondContact O-N 3Å; P158-R160 VanDerWaalsContact O-N 3.08Å |
| 159 | G | 67.5 | Low | 60.1 | Low | 63 Ų | 63 | 121.1 Ų | 121.1 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | | | trans | -52.4 | 125.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | S157 | S157-G159 PolarHBondContact O-N 3.15Š|
| 160 | R | 67.1 | Low | 60.2 | Low | 143 Ų | 143 | 127 Ų | 127 | 54% | 0.54 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -4.3 | 114.2 | -175.7 | -169.4 | 172.4 | -168.6 | -82.4 | -1.3 | 112.9 | P158 S164 I165 | P158-R160 PolarHBondContact O-N 3Å; P158-R160 VanDerWaalsContact O-N 3.08Å; R160-S164 VanDerWaalsContact CZ-CB 3.45Å; R160-S164 PolarHBondContact NH1-O 2.94Å; R160-S164 VanDerWaalsContact NH1-O 3.15Å; R160-S164 PolarHBondContact NH1-OG 2.85Å; R160-S164 PolarHBondContact NH2-O 3.14Å; R160-S164 PolarHBondContact NH2-OG 3.1Å; R160-I165 VanDerWaalsContact NH1-CD1 3.29Å; R160-I165 VanDerWaalsContact NH1-CG1 3.27Å |
| 161 | P | 67.9 | Low | 60.4 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 58% | 0.584 | 71% | 0.709 | S | S | * | * | | | trans | -45.4 | 127.3 | -169.6 | 13.8 | -28.4 | 0 | 0 | 0 | 110.8 | G163 S164 | P161-G163 PolarHBondContact O-N 3.2Å; P161-S164 PolarHBondContact O-N 3.23Å; P161-S164 VanDerWaalsContact O-N 3.1Å |
| 162 | P | 60.5 | Low | 60.2 | Low | 139 Ų | 139 | 124.3 Ų | 124.3 | 90% | 0.903 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 103.8 | -175.9 | 22.6 | -31 | 0 | 0 | 0 | 108.6 | | |
| 163 | G | 58.5 | Low | 60.4 | Low | 52 Ų | 52 | 129.7 Ų | 129.7 | 54% | 0.536 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 137.2 | -12.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P161 I165 | P161-G163 PolarHBondContact O-N 3.2Å; G163-I165 PolarHBondContact O-N 3.46Å |
| 164 | S | 58.6 | Low | 59.8 | Low | 62 Ų | 62 | 133 Ų | 133 | 43% | 0.434 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -72 | 3.6 | -173.8 | 173.1 | 0 | 0 | 0 | 0 | 115.1 | R160 P161 | R160-S164 VanDerWaalsContact CZ-CB 3.45Å; R160-S164 PolarHBondContact NH1-O 2.94Å; R160-S164 VanDerWaalsContact NH1-O 3.15Å; R160-S164 PolarHBondContact NH1-OG 2.85Å; R160-S164 PolarHBondContact NH2-O 3.14Å; R160-S164 PolarHBondContact NH2-OG 3.1Å; P161-S164 PolarHBondContact O-N 3.23Å; P161-S164 VanDerWaalsContact O-N 3.1Å |
| 165 | I | 64.3 | Low | 59.4 | Low | 140 Ų | 140 | 126.6 Ų | 126.6 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | | | trans | -121.3 | 86.5 | 161.2 | -65.7 | 140.1 | 0 | 0 | 0 | 107.6 | R160 G163 | R160-I165 VanDerWaalsContact NH1-CD1 3.29Å; R160-I165 VanDerWaalsContact NH1-CG1 3.27Å; G163-I165 PolarHBondContact O-N 3.46Å |
| 166 | K | 56.6 | Low | 59 | Low | 199 Ų | 199 | 128.3 Ų | 128.3 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -121.4 | 93.2 | 152.1 | -81.4 | -178.7 | 175.7 | 174.2 | 0 | 107.3 | | |
| 167 | G | 60.7 | Low | 58.7 | Low | 46 Ų | 46 | 128 Ų | 128 | 47% | 0.474 | 72% | 0.717 | S | S | . | * | | | trans | 81.6 | 72.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | S169 | G167-S169 PolarHBondContact O-N 2.89Š|
| 168 | L | 55.1 | Low | 57.9 | Low | 150 Ų | 150 | 129.1 Ų | 129.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -75.7 | 3.6 | 146.4 | -71 | 175.4 | 0 | 0 | 0 | 112.2 | R170 L171 | L168-R170 PolarHBondContact O-N 3.08Å; L168-R170 VanDerWaalsContact O-N 3.14Å; L168-L171 HydrophobicContact CD2-CD1 3.66Å; L168-L171 HydrophobicContact CD2-CG 4.43Å |
| 169 | S | 57.1 | Low | 57.4 | Low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 11 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | G167 | G167-S169 PolarHBondContact O-N 2.89Š|
| 170 | R | 59.3 | Low | 56.3 | Low | 228 Ų | 228 | 130.2 Ų | 130.2 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 16.3 | 173.7 | -76.2 | -169.8 | 173.9 | 176.8 | -2.9 | 114.7 | L168 N172 | L168-R170 PolarHBondContact O-N 3.08Å; L168-R170 VanDerWaalsContact O-N 3.14Å; R170-N172 PolarHBondContact O-N 3.21Å |
| 171 | L | 57.4 | Low | 55.6 | Low | 122 Ų | 122 | 129.9 Ų | 129.9 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | | | trans | -89.7 | 64 | 163.3 | -62.9 | -177.9 | 0 | 0 | 0 | 109.2 | L168 | L168-L171 HydrophobicContact CD2-CD1 3.66Å; L168-L171 HydrophobicContact CD2-CG 4.43Å |
| 172 | N | 55.7 | Low | 54.8 | Low | 156 Ų | 156 | 129.8 Ų | 129.8 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -109.2 | 24.8 | 170.2 | -145.9 | -6.4 | 0 | 0 | 0 | 111.1 | R170 | R170-N172 PolarHBondContact O-N 3.21Š|
| 173 | K | 58 | Low | 54.2 | Low | 195 Ų | 195 | 127.2 Ų | 127.2 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -160.7 | 27.3 | -179.5 | -117 | 173.1 | -173.5 | -170.8 | 0 | 116.7 | | |
| 174 | L | 48.5 | Very low | 54 | Low | 146 Ų | 146 | 129.3 Ų | 129.3 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | -127.5 | 87.7 | 158.4 | -113.1 | 75.2 | 0 | 0 | 0 | 105.2 | | |
| 175 | A | 44.2 | Very low | 53.5 | Low | 80 Ų | 80 | 134.1 Ų | 134.1 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | | | | 48.4 | 87.8 | 89.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S177 | A175-S177 PolarHBondContact O-N 3.13Å; A175-S177 VanDerWaalsContact O-N 3.15Å; A175-S177 PolarHBondContact O-OG 3.45Å |
| 176 | Y | 52.2 | Low | 53.3 | Low | 237 Ų | 237 | 133.6 Ų | 133.6 | 93% | 0.929 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 30.5 | 78.5 | 131.6 | -164.6 | -94.9 | 0 | 0 | 0 | 115 | | |
| 177 | S | 54.2 | Low | 52.9 | Low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | 172.1 | 77.1 | 160.8 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | A175 | A175-S177 PolarHBondContact O-N 3.13Å; A175-S177 VanDerWaalsContact O-N 3.15Å; A175-S177 PolarHBondContact O-OG 3.45Å |
| 178 | S | 45.3 | Very low | 52.7 | Low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -154.8 | 71.4 | 149.6 | -165.3 | 0 | 0 | 0 | 0 | 107.6 | C180 | S178-C180 PolarHBondContact O-N 3.15Š|
| 179 | S | 56.6 | Low | 53 | Low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | -51.5 | 127.8 | 157.9 | 49.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 180 | C | 45.3 | Very low | 52.7 | Low | 111 Ų | 111 | 137.8 Ų | 137.8 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | | | trans | 68.4 | 100.1 | 140.7 | -50.7 | 0 | 0 | 0 | 0 | 117.4 | S178 | S178-C180 PolarHBondContact O-N 3.15Š|
| 181 | S | 52.9 | Low | 52.2 | Low | 135 Ų | 135 | 132.8 Ų | 132.8 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | | | trans | -125.5 | 83.1 | 132.9 | -89.4 | 0 | 0 | 0 | 0 | 108 | | |
| 182 | A | 49.8 | Very low | 52 | Low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | trans | -68.3 | 143.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 183 | A | 48.9 | Very low | 51.9 | Low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | 60.4 | 96.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | F185 | A183-F185 PolarHBondContact O-N 3.45Å; A183-F185 VanDerWaalsContact O-N 3.13Å |
| 184 | A | 53 | Low | 51.4 | Low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -76.2 | 38.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 185 | F | 49.7 | Very low | 51.5 | Low | 163 Ų | 163 | 132.9 Ų | 132.9 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -147.7 | 128 | 173.1 | -69.6 | -75 | 0 | 0 | 0 | 111 | A183 Y187 | A183-F185 PolarHBondContact O-N 3.45Å; A183-F185 VanDerWaalsContact O-N 3.13Å; F185-Y187 PolarHBondContact O-N 3.1Å; F185-Y187 VanDerWaalsContact O-N 3.1Å |
| 186 | P | 58.3 | Low | 51.2 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -80.5 | 90.6 | 173.1 | 33.3 | -29.3 | 0 | 0 | 0 | 108 | | |
| 187 | Y | 48.9 | Very low | 50.5 | Low | 195 Ų | 195 | 130.9 Ų | 130.9 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -107.3 | 126.3 | 159.9 | -100.7 | -86 | 0 | 0 | 0 | 108.2 | F185 L189 | F185-Y187 PolarHBondContact O-N 3.1Å; F185-Y187 VanDerWaalsContact O-N 3.1Å; Y187-L189 PolarHBondContact O-N 3.11Å; Y187-L189 VanDerWaalsContact O-N 3.11Å |
| 188 | P | 57.2 | Low | 50 | Low | 122 Ų | 122 | 131.1 Ų | 131.1 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | -71.1 | 107.6 | 172.5 | 25.5 | -25.5 | 0 | 0 | 0 | 108.3 | | |
| 189 | L | 61.3 | Low | 49.5 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -90.5 | 124.9 | 169.6 | -70.9 | 174.3 | 0 | 0 | 0 | 108.9 | Y187 H191 | Y187-L189 PolarHBondContact O-N 3.11Å; Y187-L189 VanDerWaalsContact O-N 3.11Å; L189-H191 PolarHBondContact O-N 3.27Å |
| 190 | P | 50.7 | Low | 48.4 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -74.2 | 116.5 | 176.2 | 29 | -31.2 | 0 | 0 | 0 | 110.8 | | |
| 191 | H | 48.5 | Very low | 48 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 57% | 0.569 | 78% | 0.775 | S | S | * | * | | | trans | 38 | 112.5 | 141.5 | -173.2 | 42.4 | 0 | 0 | 0 | 119.1 | L189 D193 | L189-H191 PolarHBondContact O-N 3.27Å; H191-D193 IonicContact CE1-OD1 3.26Å; H191-D193 PolarHBondContact CE1-OD1 3.25Å; H191-D193 VanDerWaalsContact CE1-OD1 3.26Å; H191-D193 IonicContact CE1-OD2 2.96Å; H191-D193 PolarHBondContact CE1-OD2 3.01Å; H191-D193 IonicContact ND1-OD1 3.56Å; H191-D193 IonicContact ND1-OD2 3.81Å; H191-D193 IonicContact NE2-OD2 3.78Å |
| 192 | K | 53.6 | Low | 47.1 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -145.4 | 123.3 | 134.3 | -59.2 | -61 | 157.6 | -161.4 | 0 | 108.9 | V194 | K192-V194 PolarHBondContact O-N 3.43Š|
| 193 | D | 52.8 | Low | 46.6 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | -64.8 | 123.6 | 175.7 | -52.3 | -56.6 | 0 | 0 | 0 | 110.7 | H191 | H191-D193 IonicContact CE1-OD1 3.26Å; H191-D193 PolarHBondContact CE1-OD1 3.25Å; H191-D193 VanDerWaalsContact CE1-OD1 3.26Å; H191-D193 IonicContact CE1-OD2 2.96Å; H191-D193 PolarHBondContact CE1-OD2 3.01Å; H191-D193 IonicContact ND1-OD1 3.56Å; H191-D193 IonicContact ND1-OD2 3.81Å; H191-D193 IonicContact NE2-OD2 3.78Å |
| 194 | V | 47.9 | Very low | 45.9 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | -142.1 | 87.6 | 152.9 | -171 | 0 | 0 | 0 | 0 | 107.9 | K192 C196 | K192-V194 PolarHBondContact O-N 3.43Å; V194-C196 PolarHBondContact O-N 3.3Å |
| 195 | L | 50.9 | Low | 45.1 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | 2.7 | 109.5 | 143.3 | -174.1 | 67.9 | 0 | 0 | 0 | 116.3 | | |
| 196 | C | 36.5 | Very low | 44.4 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 86% | 0.858 | 78% | 0.782 | S | S | * | * | | | trans | -161 | 102.2 | 144.3 | -154.4 | 0 | 0 | 0 | 0 | 110.4 | V194 | V194-C196 PolarHBondContact O-N 3.3Š|
| 197 | E | 38.7 | Very low | 43.2 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | | | trans | -51.8 | 137 | 177 | -106 | -86.4 | 141.3 | 0 | 0 | 114.7 | S199 | E197-S199 PolarHBondContact OE2-N 3.48Š|
| 198 | P | 43.6 | Very low | 42.9 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | trans | -102.8 | 89.8 | 155.7 | 34.5 | -25.1 | 0 | 0 | 0 | 110.3 | C200 | P198-C200 PolarHBondContact O-N 2.96Š|
| 199 | S | 34.4 | Very low | 42.1 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | trans | -77 | 88.7 | 170 | -166.8 | 0 | 0 | 0 | 0 | 109.9 | E197 K201 | E197-S199 PolarHBondContact OE2-N 3.48Å; S199-K201 PolarHBondContact O-N 3.44Å |
| 200 | C | 33.4 | Very low | 41.1 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | -68.5 | 109.3 | 167 | -71.6 | 0 | 0 | 0 | 0 | 109.1 | P198 D202 | P198-C200 PolarHBondContact O-N 2.96Å; C200-D202 PolarHBondContact O-N 3.26Å |
| 201 | K | 36.4 | Very low | 40.5 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -86.3 | 89.9 | 176 | -148.5 | 171.5 | -169.3 | 171 | 0 | 109.1 | S199 | S199-K201 PolarHBondContact O-N 3.44Š|
| 202 | D | 35.5 | Very low | 40 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | | | trans | -73.1 | 124.3 | 163 | -141.8 | -68.1 | 0 | 0 | 0 | 107.9 | C200 | C200-D202 PolarHBondContact O-N 3.26Š|
| 203 | K | 38.6 | Very low | 39.1 | Very low | 196 Ų | 196 | 142 Ų | 142 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | | | trans | -113.1 | 101.2 | 171.4 | -97 | -145.1 | 173.7 | -165.1 | 0 | 107.9 | | |
| 204 | A | 34.3 | Very low | 38.1 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | | | trans | -111.4 | 133.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 205 | A | 35.4 | Very low | 37.4 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | | | trans | 54.6 | 124.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 206 | A | 36.2 | Very low | 36.2 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | | | trans | -169.7 | 114 | 133.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 207 | E | 31.8 | Very low | 36.2 | Very low | 270 Ų | 270 | 143.1 Ų | 143.1 | 100% | 1.262 | 82% | 0.823 | S | S | * | * | | | | 41.3 | 0 | 85.2 | -156.8 | -176.4 | 138.8 | 0 | 0 | 113.5 | | |