| 1 | M | 39.2 | Very low | 45.7 | Very low | 255 Ų | 255 | 110.6 Ų | 110.6 | 100% | 1.256 | 88% | 0.883 | S | S | * | * | | | | 0 | 147.4 | 0 | -71.7 | 165.4 | 175 | 0 | 0 | 107.9 | | |
| 2 | A | 42.8 | Very low | 46 | Very low | 99 Ų | 99 | 112 Ų | 112 | 82% | 0.818 | 88% | 0.884 | S | S | * | * | | | trans | -108.3 | 139.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 3 | N | 54.6 | Low | 45.8 | Very low | 175 Ų | 175 | 109.2 Ų | 109.2 | 94% | 0.936 | 88% | 0.876 | S | S | * | * | | | trans | 179.6 | 151.5 | 142.1 | -112 | -21.3 | 0 | 0 | 0 | 107.9 | | |
| 4 | G | 44.1 | Very low | 45.5 | Very low | 69 Ų | 69 | 107.7 Ų | 107.7 | 71% | 0.711 | 88% | 0.878 | S | S | * | * | | | cis | 140.2 | 123.2 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 5 | G | 46.2 | Very low | 45.2 | Very low | 82 Ų | 82 | 105.8 Ų | 105.8 | 85% | 0.845 | 87% | 0.874 | S | S | * | * | | | trans | 103.2 | 127.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 6 | G | 45.5 | Very low | 45.3 | Very low | 86 Ų | 86 | 104.4 Ų | 104.4 | 89% | 0.887 | 87% | 0.873 | S | S | * | * | | | cis | 96.9 | 125.4 | 15.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 7 | G | 44.9 | Very low | 45.5 | Very low | 80 Ų | 80 | 103.5 Ų | 103.5 | 83% | 0.825 | 88% | 0.876 | S | S | * | * | | | cis | -179.4 | -172.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 8 | G | 44.8 | Very low | 45.5 | Very low | 87 Ų | 87 | 102.2 Ų | 102.2 | 90% | 0.897 | 87% | 0.873 | S | S | * | * | | | trans | 89.1 | 131.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 9 | G | 47.2 | Very low | 45.8 | Very low | 88 Ų | 88 | 101.2 Ų | 101.2 | 91% | 0.907 | 87% | 0.872 | S | S | * | * | | | cis | 113.7 | 95.7 | 7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 10 | G | 43.6 | Very low | 45.8 | Very low | 80 Ų | 80 | 100 Ų | 100 | 83% | 0.825 | 87% | 0.868 | S | S | * | * | | | trans | -165.7 | 107.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 11 | S | 50.2 | Low | 45.8 | Very low | 116 Ų | 116 | 100.1 Ų | 100.1 | 81% | 0.811 | 86% | 0.861 | S | S | * | * | | | trans | -114.3 | 167.5 | -177.7 | -58 | 0 | 0 | 0 | 0 | 112 | | |
| 12 | S | 48.6 | Very low | 46.4 | Very low | 127 Ų | 127 | 93.6 Ų | 93.6 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | | | trans | 92.8 | 152.5 | 152.9 | 81.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 13 | G | 43.6 | Very low | 46.6 | Very low | 76 Ų | 76 | 96.3 Ų | 96.3 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | | | trans | 94 | 107.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 14 | G | 42.1 | Very low | 46.7 | Very low | 88 Ų | 88 | 98.8 Ų | 98.8 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | | | cis | 87.7 | 132.2 | 28.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 15 | G | 41.2 | Very low | 46.5 | Very low | 79 Ų | 79 | 103.7 Ų | 103.7 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | | | cis | 172.1 | 179.3 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 16 | G | 45.4 | Very low | 46.3 | Very low | 83 Ų | 83 | 104.9 Ų | 104.9 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | | | trans | 86.8 | 133.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 17 | G | 50 | Low | 46.4 | Very low | 90 Ų | 90 | 105.6 Ų | 105.6 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | | | cis | 96.6 | 88.7 | 9.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 18 | G | 45.1 | Very low | 46.2 | Very low | 80 Ų | 80 | 109.2 Ų | 109.2 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | | | trans | -148.8 | 81 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G20 | G18-G20 PolarHBondContact O-N 3.17Š|
| 19 | G | 52 | Low | 46.4 | Very low | 83 Ų | 83 | 112.4 Ų | 112.4 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | -73.4 | 116.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S21 | G19-S21 PolarHBondContact O-N 3.41Å; G19-S21 VanDerWaalsContact O-N 3.17Å |
| 20 | G | 44 | Very low | 46.4 | Very low | 77 Ų | 77 | 116.2 Ų | 116.2 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | -76.5 | 97.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G18 | G18-G20 PolarHBondContact O-N 3.17Š|
| 21 | S | 46.5 | Very low | 46 | Very low | 102 Ų | 102 | 116.2 Ų | 116.2 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | | | trans | 38.4 | 97 | 148.4 | -56.5 | 0 | 0 | 0 | 0 | 118.4 | G19 L23 | G19-S21 PolarHBondContact O-N 3.41Å; G19-S21 VanDerWaalsContact O-N 3.17Å; S21-L23 PolarHBondContact O-N 2.87Å |
| 22 | S | 51.6 | Low | 45.7 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -54.5 | 89.9 | 161.7 | -56 | 0 | 0 | 0 | 0 | 112.9 | R24 | S22-R24 PolarHBondContact O-N 2.94Š|
| 23 | L | 46.6 | Very low | 45.5 | Very low | 157 Ų | 157 | 118 Ų | 118 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -76.1 | 78.3 | 166 | -66.8 | 177.7 | 0 | 0 | 0 | 109.8 | S21 M25 | S21-L23 PolarHBondContact O-N 2.87Å; L23-M25 VanDerWaalsContact C-N 3.33Å; L23-M25 PolarHBondContact O-N 2.98Å |
| 24 | R | 57.1 | Low | 45.6 | Very low | 227 Ų | 227 | 121.3 Ų | 121.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -62.7 | 97.5 | 161.2 | -77.5 | -78.7 | -174.5 | 168.4 | 0.1 | 107.7 | S22 S26 | S22-R24 PolarHBondContact O-N 2.94Å; R24-S26 PolarHBondContact O-N 2.96Å |
| 25 | M | 41.1 | Very low | 45.3 | Very low | 172 Ų | 172 | 121.7 Ų | 121.7 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | -65.4 | 96.9 | 166.7 | -72.8 | 168.7 | 159.1 | 0 | 0 | 108.5 | L23 S27 | L23-M25 VanDerWaalsContact C-N 3.33Å; L23-M25 PolarHBondContact O-N 2.98Å; M25-S27 PolarHBondContact O-N 3.07Å; M25-S27 VanDerWaalsContact O-N 3.07Å |
| 26 | S | 41.1 | Very low | 45.5 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -72.9 | 94.6 | 172.4 | -65.7 | 0 | 0 | 0 | 0 | 109.7 | R24 N28 | R24-S26 PolarHBondContact O-N 2.96Å; S26-N28 PolarHBondContact O-N 3.05Å |
| 27 | S | 47 | Very low | 45.1 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | -73.4 | 87.6 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | M25 I29 | M25-S27 PolarHBondContact O-N 3.07Å; M25-S27 VanDerWaalsContact O-N 3.07Å; S27-I29 PolarHBondContact O-N 3.02Å |
| 28 | N | 42.1 | Very low | 44.6 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | -72.7 | 94 | 162 | -89.5 | 40.3 | 0 | 0 | 0 | 109 | S26 H30 | S26-N28 PolarHBondContact O-N 3.05Å; N28-H30 PolarHBondContact O-N 3.15Å; N28-H30 VanDerWaalsContact O-N 3.15Å |
| 29 | I | 48.3 | Very low | 44.1 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -69.3 | 106.6 | 171.9 | -58.8 | 173 | 0 | 0 | 0 | 108.1 | S27 A31 | S27-I29 PolarHBondContact O-N 3.02Å; I29-A31 HydrophobicContact CG2-CB 4.35Å |
| 30 | H | 46.5 | Very low | 43.3 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | | | trans | -110.8 | 92.8 | 162.6 | -168.2 | -124.9 | 0 | 0 | 0 | 109.1 | N28 N32 | N28-H30 PolarHBondContact O-N 3.15Å; N28-H30 VanDerWaalsContact O-N 3.15Å; H30-N32 PolarHBondContact CE1-ND2 3.28Å; H30-N32 VanDerWaalsContact CE1-ND2 3.28Å; H30-N32 PolarHBondContact O-N 3.5Å |
| 31 | A | 36.2 | Very low | 42.8 | Very low | 79 Ų | 79 | 134 Ų | 134 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | | | trans | -84.9 | 111.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I29 | I29-A31 HydrophobicContact CG2-CB 4.35Š|
| 32 | N | 43.6 | Very low | 42.2 | Very low | 129 Ų | 129 | 134 Ų | 134 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | | | trans | -124.3 | 95.6 | 149 | -75.9 | -95.5 | 0 | 0 | 0 | 103.3 | H30 | H30-N32 PolarHBondContact CE1-ND2 3.28Å; H30-N32 VanDerWaalsContact CE1-ND2 3.28Å; H30-N32 PolarHBondContact O-N 3.5Å |
| 33 | H | 44.3 | Very low | 41.4 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | | 63.1 | 146.6 | 70.3 | -162.5 | -100.3 | 0 | 0 | 0 | 113.1 | | |
| 34 | L | 46.5 | Very low | 40.8 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | 70.8 | 90.5 | -163.4 | -58.4 | 103.6 | 0 | 0 | 0 | 112.7 | | |
| 35 | S | 34.4 | Very low | 39.8 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | | | cis | 104.8 | 111.4 | 48.2 | -75.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 36 | L | 46.1 | Very low | 39.4 | Very low | 162 Ų | 162 | 123.4 Ų | 123.4 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | | | trans | 25.5 | 122.8 | 142.8 | -60.1 | 163.9 | 0 | 0 | 0 | 118.5 | | |
| 37 | D | 36.1 | Very low | 39.3 | Very low | 172 Ų | 172 | 123.8 Ų | 123.8 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | | | | -150 | 145.1 | 118.5 | -106.4 | -34.5 | 0 | 0 | 0 | 111.4 | | |
| 38 | A | 40.2 | Very low | 38.6 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -113.2 | 118.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 39 | S | 34.3 | Very low | 38.2 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -162.5 | 115.7 | 162.3 | -86.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 40 | S | 34.8 | Very low | 37.5 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 19.5 | 127.5 | 131 | -44.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 41 | S | 34.3 | Very low | 36.8 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | 65.8 | 123.8 | 134.9 | 56.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 42 | S | 34.7 | Very low | 36.6 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | 75.2 | 112.2 | 133.1 | 62.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 43 | S | 34.4 | Very low | 36 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 72.3 | 143.3 | 131.5 | 54.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 44 | S | 33.8 | Very low | 35.3 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | 71.5 | 97.1 | 153.1 | 39.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 45 | S | 35.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 114.7 Ų | 114.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | | 12.4 | 125.8 | 129 | 56.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 46 | S | 33.2 | Very low | 34.5 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | | -174.6 | 170.3 | 122.4 | 40.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 47 | S | 39.3 | Very low | 34 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -108 | 142.1 | -160.3 | 53.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 48 | S | 32.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 110.7 Ų | 110.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -174.4 | 156.5 | 160 | 49.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 49 | S | 33.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 111.8 Ų | 111.8 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | cis | 169.9 | 149.4 | -23.8 | 55.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 50 | S | 33.4 | Very low | 33.8 | Very low | 110 Ų | 110 | 111.3 Ų | 111.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 70.2 | 157.1 | 170.9 | 100.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 51 | S | 31.3 | Very low | 33.4 | Very low | 101 Ų | 101 | 112 Ų | 112 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | cis | -172.9 | 172.6 | -22.9 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 52 | S | 32.4 | Very low | 33.3 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | 102.2 | 148.2 | 160.8 | 82 | 0 | 0 | 0 | 0 | 118.6 | | |
| 53 | S | 31.5 | Very low | 33.4 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -114.8 | 151.8 | -154.9 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 54 | S | 29.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 118.5 Ų | 118.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -162.8 | 116.7 | 138.6 | 39 | 0 | 0 | 0 | 0 | 111.8 | | |
| 55 | S | 34.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -90.1 | 128.4 | 166 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 56 | S | 29.3 | Very low | 34.7 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -140.9 | 96.8 | 172.8 | -64.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 57 | S | 34.8 | Very low | 35.4 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -106 | 118.4 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 58 | S | 33.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -151 | 111.9 | 165.9 | -52.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 59 | S | 35.4 | Very low | 36.2 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 37.9 | 125 | 142.4 | 58.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 60 | S | 36.6 | Very low | 36.9 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | cis | 173.8 | 174.5 | 44.8 | 47.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 61 | V | 26.3 | Very low | 37.6 | Very low | 122 Ų | 122 | 129 Ų | 129 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | | | cis | -150.7 | 142 | -6.4 | -120 | 0 | 0 | 0 | 0 | 107.5 | | |
| 62 | H | 33.5 | Very low | 38.5 | Very low | 169 Ų | 169 | 130 Ų | 130 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | | | trans | 58.7 | 140.8 | 172 | -78.2 | -109.6 | 0 | 0 | 0 | 116.3 | | |
| 63 | E | 36.3 | Very low | 39.4 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | cis | -150.7 | 135.7 | 24.6 | -176.4 | 143.9 | 85.8 | 0 | 0 | 111.5 | | |
| 64 | P | 44.4 | Very low | 40.2 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | trans | -100.7 | 148.6 | 176.7 | 36.7 | -31.2 | 0 | 0 | 0 | 113.7 | | |
| 65 | K | 34.9 | Very low | 41.1 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 77.6 | 97.9 | 146.2 | -156.3 | 174.7 | -167.8 | 65.6 | 0 | 118.8 | D67 | K65-D67 WeakPolarHBondContact CG-OD2 3.33Å; K65-D67 IonicContact NZ-OD2 2.64Å; K65-D67 PolarHBondContact NZ-OD2 3.47Å |
| 66 | M | 52.6 | Low | 41.6 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | | | trans | -133.2 | 95.1 | 130.2 | 60.7 | -158.9 | 179.9 | 0 | 0 | 109.7 | | |
| 67 | D | 46.9 | Very low | 42.2 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | | | trans | -77.4 | 118.7 | 171.7 | -63.3 | -68.1 | 0 | 0 | 0 | 109.4 | K65 | K65-D67 WeakPolarHBondContact CG-OD2 3.33Å; K65-D67 IonicContact NZ-OD2 2.64Å; K65-D67 PolarHBondContact NZ-OD2 3.47Å |
| 68 | A | 40.1 | Very low | 42.8 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | trans | -144.9 | 72.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 69 | L | 48.8 | Very low | 43.7 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | 67.8 | 110.5 | 142.4 | -58.7 | 154.8 | 0 | 0 | 0 | 118.7 | | |
| 70 | I | 48.4 | Very low | 44.4 | Very low | 140 Ų | 140 | 133 Ų | 133 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | | | trans | 53.8 | 99.4 | 132.3 | -49.9 | 160.1 | 0 | 0 | 0 | 114.1 | | |
| 71 | I | 46.9 | Very low | 45.2 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | | | | -142.1 | 103.3 | 64.2 | -62.4 | 153.8 | 0 | 0 | 0 | 111 | V73 | I71-V73 HydrophobicContact CG2-CB 3.79Å; I71-V73 HydrophobicContact CG2-CG2 3.68Å; I71-V73 PolarHBondContact O-N 2.64Å |
| 72 | P | 51.8 | Low | 46.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | | | trans | -95 | 77.7 | 162.5 | 34.7 | -29.9 | 0 | 0 | 0 | 109.5 | | |
| 73 | V | 49.5 | Very low | 47.7 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | | | trans | -130.6 | 107.1 | -179.8 | -172.5 | 0 | 0 | 0 | 0 | 110 | I71 | I71-V73 HydrophobicContact CG2-CB 3.79Å; I71-V73 HydrophobicContact CG2-CG2 3.68Å; I71-V73 PolarHBondContact O-N 2.64Å |
| 74 | T | 49.2 | Very low | 48.4 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | | | trans | 52.5 | 77.7 | 163.9 | 64.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 75 | M | 48.6 | Very low | 49.3 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | | | | -113.1 | 27.6 | 128.8 | 35.8 | 179.2 | 50.3 | 0 | 0 | 113.1 | V77 | M75-V77 PolarHBondContact O-N 3.12Š|
| 76 | E | 45.7 | Very low | 50.6 | Low | 173 Ų | 173 | 133.9 Ų | 133.9 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | | | trans | -62.8 | 70.1 | 133.9 | -168.1 | -173.5 | 167.8 | 0 | 0 | 109.2 | | |
| 77 | V | 41.7 | Very low | 51.8 | Low | 117 Ų | 117 | 131 Ų | 131 | 71% | 0.709 | 71% | 0.707 | S | S | * | * | | | trans | -109.5 | 106.8 | 153.9 | 177.7 | 0 | 0 | 0 | 0 | 103.5 | M75 C79 | M75-V77 PolarHBondContact O-N 3.12Å; V77-C79 PolarHBondContact O-N 3.44Å |
| 78 | P | 47.8 | Very low | 53.5 | Low | 101 Ų | 101 | 132.7 Ų | 132.7 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | | | trans | -62.3 | 140.1 | -167.4 | 23.7 | -33.7 | 0 | 0 | 0 | 110.8 | D80 | P78-D80 VanDerWaalsContact C-N 3.33Å; P78-D80 PolarHBondContact O-N 3.02Å |
| 79 | C | 51.6 | Low | 55.5 | Low | 116 Ų | 116 | 131.3 Ų | 131.3 | 78% | 0.784 | 69% | 0.692 | S | S | * | * | | | trans | -55.1 | 101.6 | 153.2 | -64.3 | 0 | 0 | 0 | 0 | 107.4 | V77 S81 | V77-C79 PolarHBondContact O-N 3.44Å; C79-S81 PolarHBondContact O-N 3.45Å; C79-S81 PolarHBondContact O-OG 2.93Å |
| 80 | D | 51.2 | Low | 56.8 | Low | 85 Ų | 85 | 132 Ų | 132 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | | | trans | -67.7 | 101.6 | 174 | -176.1 | 7.1 | 0 | 0 | 0 | 108.7 | P78 R82 Q84 | P78-D80 VanDerWaalsContact C-N 3.33Å; P78-D80 PolarHBondContact O-N 3.02Å; D80-R82 PolarHBondContact O-N 3.19Å; D80-Q84 PolarHBondContact OD2-NE2 2.9Å |
| 81 | S | 53.3 | Low | 58.6 | Low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 33.6 | -171.1 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | C79 | C79-S81 PolarHBondContact O-N 3.45Å; C79-S81 PolarHBondContact O-OG 2.93Å |
| 82 | R | 56.7 | Low | 60.6 | Low | 217 Ų | 217 | 125.4 Ų | 125.4 | 82% | 0.819 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.3 | 36.9 | -174.7 | -72.8 | -163 | 173.7 | -133.5 | 0 | 115 | D80 Q84 | D80-R82 PolarHBondContact O-N 3.19Å; R82-Q84 PolarHBondContact O-N 2.9Å |
| 83 | G | 56 | Low | 62.1 | Low | 62 Ų | 62 | 122.6 Ų | 122.6 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.7 | 36.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R85 | G83-R85 PolarHBondContact O-N 3.5Š|
| 84 | Q | 50.2 | Low | 63.8 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | | | trans | -74.9 | 45.9 | -170.9 | -156.2 | -167.2 | 65.2 | 0 | 0 | 111.3 | D80 R82 M86 | D80-Q84 PolarHBondContact OD2-NE2 2.9Å; R82-Q84 PolarHBondContact O-N 2.9Å; Q84-M86 PolarHBondContact O-N 2.91Å; Q84-M86 VanDerWaalsContact O-N 3.16Å |
| 85 | R | 62.8 | Low | 65.6 | Low | 200 Ų | 200 | 119.7 Ų | 119.7 | 76% | 0.755 | 63% | 0.627 | S | S | * | * | | | trans | -56.1 | 121.4 | 178 | -73 | 177 | 177.7 | -175.3 | -0.5 | 107.2 | G83 W87 | G83-R85 PolarHBondContact O-N 3.5Å; R85-W87 PolarHBondContact O-N 2.99Å |
| 86 | M | 63.3 | Low | 67.7 | Low | 139 Ų | 139 | 115.6 Ų | 115.6 | 69% | 0.685 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 34.1 | 174.6 | -66.2 | 173.9 | 172.6 | 0 | 0 | 112.3 | Q84 W88 A89 F90 | Q84-M86 PolarHBondContact O-N 2.91Å; Q84-M86 VanDerWaalsContact O-N 3.16Å; M86-W88 PolarHBondContact O-N 3.45Å; M86-A89 HydrophobicContact CB-CB 4.23Å; M86-A89 WeakPolarHBondContact O-CB 3.5Å; M86-A89 PolarHBondContact O-N 2.91Å; M86-F90 PolarHBondContact O-N 3.25Å |
| 87 | W | 76.4 | Confident | 69.6 | Low | 126 Ų | 126 | 111.6 Ų | 111.6 | 48% | 0.477 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -33.4 | 173.2 | 64 | -83.7 | 0 | 0 | 0 | 111.3 | R85 A89 F90 L91 | R85-W87 PolarHBondContact O-N 2.99Å; W87-A89 PolarHBondContact O-N 3.49Å; W87-F90 PolarHBondContact O-N 3.15Å; W87-F90 VanDerWaalsContact O-N 3.15Å; W87-L91 HydrophobicContact CE3-CD1 4.3Å; W87-L91 HydrophobicContact CZ3-CD1 4.22Å; W87-L91 WeakPolarHBondContact O-CB 3.33Å; W87-L91 PolarHBondContact O-N 3.4Å |
| 88 | W | 84 | Confident | 71.8 | Confident | 163 Ų | 163 | 112.5 Ų | 112.5 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.4 | -36.1 | 169.5 | -67.6 | 116.1 | 0 | 0 | 0 | 112.7 | M86 A92 | M86-W88 PolarHBondContact O-N 3.45Å; W88-A92 WeakPolarHBondContact O-CB 3.4Å; W88-A92 PolarHBondContact O-N 3.16Å |
| 89 | A | 82.3 | Confident | 73.9 | Confident | 57 Ų | 57 | 113.4 Ų | 113.4 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.1 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | M86 W87 S93 | M86-A89 HydrophobicContact CB-CB 4.23Å; M86-A89 WeakPolarHBondContact O-CB 3.5Å; M86-A89 PolarHBondContact O-N 2.91Å; W87-A89 PolarHBondContact O-N 3.49Å; A89-S93 WeakPolarHBondContact O-CB 3.37Å; A89-S93 PolarHBondContact O-N 2.73Å |
| 90 | F | 74.9 | Confident | 75.9 | Confident | 165 Ų | 165 | 109 Ų | 109 | 72% | 0.724 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.2 | -39.4 | 174.8 | -77.7 | -84.2 | 0 | 0 | 0 | 112.7 | M86 W87 S93 S94 | M86-F90 PolarHBondContact O-N 3.25Å; W87-F90 PolarHBondContact O-N 3.15Å; W87-F90 VanDerWaalsContact O-N 3.15Å; F90-S93 PolarHBondContact O-N 3.4Å; F90-S94 PolarHBondContact O-N 2.82Å; F90-S94 PolarHBondContact O-OG 3.02Å |
| 91 | L | 86.3 | Confident | 77.8 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 45% | 0.45 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.8 | -40.9 | 178.6 | -168.2 | 148.9 | 0 | 0 | 0 | 111.7 | W87 S94 M95 | W87-L91 HydrophobicContact CE3-CD1 4.3Å; W87-L91 HydrophobicContact CZ3-CD1 4.22Å; W87-L91 WeakPolarHBondContact O-CB 3.33Å; W87-L91 PolarHBondContact O-N 3.4Å; L91-S94 PolarHBondContact O-OG 3.24Å; L91-S94 VanDerWaalsContact O-OG 3.07Å; L91-M95 WeakPolarHBondContact O-CG 3.38Å; L91-M95 PolarHBondContact O-N 2.77Å |
| 92 | A | 88.7 | Confident | 79.5 | Confident | 58 Ų | 58 | 105.3 Ų | 105.3 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W88 M95 V96 | W88-A92 WeakPolarHBondContact O-CB 3.4Å; W88-A92 PolarHBondContact O-N 3.16Å; A92-M95 PolarHBondContact O-N 2.94Å; A92-V96 WeakPolarHBondContact O-CB 3.34Å; A92-V96 PolarHBondContact O-N 3.07Å |
| 93 | S | 84.7 | Confident | 81.1 | Confident | 63 Ų | 63 | 100.8 Ų | 100.8 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 178.9 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | A89 F90 V96 T97 | A89-S93 WeakPolarHBondContact O-CB 3.37Å; A89-S93 PolarHBondContact O-N 2.73Å; F90-S93 PolarHBondContact O-N 3.4Å; S93-V96 PolarHBondContact O-N 2.96Å; S93-T97 WeakPolarHBondContact O-CB 3.46Å; S93-T97 WeakPolarHBondContact O-CG2 3.17Å; S93-T97 PolarHBondContact O-N 3.24Å; S93-T97 PolarHBondContact O-OG1 3.43Å |
| 94 | S | 83.3 | Confident | 82.8 | Confident | 56 Ų | 56 | 103.4 Ų | 103.4 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.2 | 63 | 0 | 0 | 0 | 0 | 112.4 | F90 L91 T97 F98 | F90-S94 PolarHBondContact O-N 2.82Å; F90-S94 PolarHBondContact O-OG 3.02Å; L91-S94 PolarHBondContact O-OG 3.24Å; L91-S94 VanDerWaalsContact O-OG 3.07Å; S94-T97 PolarHBondContact O-OG1 2.92Å; S94-F98 WeakPolarHBondContact O-CB 3.08Å; S94-F98 PolarHBondContact O-N 2.88Å |
| 95 | M | 88.1 | Confident | 84.6 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 172.9 | -67.6 | -63.8 | 111.6 | 0 | 0 | 111.9 | L91 A92 T97 F98 F99 | L91-M95 WeakPolarHBondContact O-CG 3.38Å; L91-M95 PolarHBondContact O-N 2.77Å; A92-M95 PolarHBondContact O-N 2.94Å; M95-T97 PolarHBondContact O-N 3.24Å; M95-F98 PolarHBondContact O-N 3.4Å; M95-F99 HydrophobicContact CB-CD2 4.34Å; M95-F99 HydrophobicContact CB-CE2 4.46Å; M95-F99 WeakPolarHBondContact O-CB 3.47Å; M95-F99 WeakPolarHBondContact O-CD2 3.18Å; M95-F99 PolarHBondContact O-N 3.04Å; M95-F99 HydrophobicContact SD-CE2 3.93Å |
| 96 | V | 91.9 | Very high | 85.8 | Confident | 100 Ų | 100 | 97.4 Ų | 97.4 | 61% | 0.606 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72 | -30.1 | -176 | 92.5 | 0 | 0 | 0 | 0 | 112.7 | A92 S93 G100 | A92-V96 WeakPolarHBondContact O-CB 3.34Å; A92-V96 PolarHBondContact O-N 3.07Å; S93-V96 PolarHBondContact O-N 2.96Å; V96-G100 WeakPolarHBondContact O-CA 3.32Å; V96-G100 PolarHBondContact O-N 3.22Å |
| 97 | T | 87.3 | Confident | 87 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.7 | -40.1 | 172.9 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | S93 S94 M95 G101 | S93-T97 WeakPolarHBondContact O-CB 3.46Å; S93-T97 WeakPolarHBondContact O-CG2 3.17Å; S93-T97 PolarHBondContact O-N 3.24Å; S93-T97 PolarHBondContact O-OG1 3.43Å; S94-T97 PolarHBondContact O-OG1 2.92Å; M95-T97 PolarHBondContact O-N 3.24Å; T97-G101 PolarHBondContact O-N 3.48Å |
| 98 | F | 87.5 | Confident | 87.7 | Confident | 136 Ų | 136 | 95.8 Ų | 95.8 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -54.8 | 175.5 | -175.9 | -102.4 | 0 | 0 | 0 | 111.8 | S94 M95 L102 | S94-F98 WeakPolarHBondContact O-CB 3.08Å; S94-F98 PolarHBondContact O-N 2.88Å; M95-F98 PolarHBondContact O-N 3.4Å; F98-L102 WeakPolarHBondContact O-CB 3.13Å; F98-L102 PolarHBondContact O-N 2.91Å |
| 99 | F | 90.9 | Very high | 87.9 | Confident | 119 Ų | 119 | 95.2 Ų | 95.2 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.9 | -36.3 | 177 | -67.9 | -60.6 | 0 | 0 | 0 | 112.2 | M95 L102 F103 | M95-F99 HydrophobicContact CB-CD2 4.34Å; M95-F99 HydrophobicContact CB-CE2 4.46Å; M95-F99 WeakPolarHBondContact O-CB 3.47Å; M95-F99 WeakPolarHBondContact O-CD2 3.18Å; M95-F99 PolarHBondContact O-N 3.04Å; M95-F99 HydrophobicContact SD-CE2 3.93Å; F99-L102 PolarHBondContact O-N 3.42Å; F99-F103 WeakPolarHBondContact O-CA 3.35Å; F99-F103 WeakPolarHBondContact O-CB 3.27Å; F99-F103 PolarHBondContact O-N 2.82Å |
| 100 | G | 93.6 | Very high | 88.2 | Confident | 23 Ų | 23 | 96.3 Ų | 96.3 | 24% | 0.237 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -62 | -47.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V96 F103 I104 | V96-G100 WeakPolarHBondContact O-CA 3.32Å; V96-G100 PolarHBondContact O-N 3.22Å; G100-F103 PolarHBondContact O-N 2.69Å; G100-I104 WeakPolarHBondContact O-CB 3.16Å; G100-I104 WeakPolarHBondContact O-CD1 3.16Å; G100-I104 WeakPolarHBondContact O-CG1 3.38Å; G100-I104 PolarHBondContact O-N 3.19Å |
| 101 | G | 91.5 | Very high | 88.8 | Confident | 34 Ų | 34 | 93.4 Ų | 93.4 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T97 I104 I105 | T97-G101 PolarHBondContact O-N 3.48Å; G101-I104 PolarHBondContact O-N 2.87Å; G101-I105 WeakPolarHBondContact O-CG1 3.25Å; G101-I105 PolarHBondContact O-N 2.86Å; G101-I105 VanDerWaalsContact O-N 3.11Å |
| 102 | L | 89.3 | Confident | 88.7 | Confident | 90 Ų | 90 | 93 Ų | 93 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 177.3 | -175.6 | 61.5 | 0 | 0 | 0 | 112 | F98 F99 I105 L106 | F98-L102 WeakPolarHBondContact O-CB 3.13Å; F98-L102 PolarHBondContact O-N 2.91Å; F99-L102 PolarHBondContact O-N 3.42Å; L102-I105 PolarHBondContact O-N 3.3Å; L102-L106 HydrophobicContact CD1-CD1 4.4Å; L102-L106 HydrophobicContact CG-CD1 4Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 VanDerWaalsContact O-CG 3.25Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.47Å |
| 103 | F | 91.1 | Very high | 88.3 | Confident | 122 Ų | 122 | 95.5 Ų | 95.5 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 178 | -173.7 | -104.3 | 0 | 0 | 0 | 111.6 | F99 G100 I105 L106 L107 | F99-F103 WeakPolarHBondContact O-CA 3.35Å; F99-F103 WeakPolarHBondContact O-CB 3.27Å; F99-F103 PolarHBondContact O-N 2.82Å; G100-F103 PolarHBondContact O-N 2.69Å; F103-I105 VanDerWaalsContact C-N 3.35Å; F103-I105 PolarHBondContact O-N 3.02Å; F103-L106 PolarHBondContact O-N 2.85Å; F103-L107 HydrophobicContact CD1-CD1 3.9Å; F103-L107 HydrophobicContact CD1-CD2 3.94Å; F103-L107 HydrophobicContact CD1-CG 4.47Å; F103-L107 HydrophobicContact CD2-CD1 3.62Å; F103-L107 HydrophobicContact CE1-CD1 3.69Å; F103-L107 HydrophobicContact CE1-CD2 3.33Å; F103-L107 HydrophobicContact CE1-CG 4.13Å; F103-L107 HydrophobicContact CE2-CD1 3.39Å; F103-L107 HydrophobicContact CE2-CD2 4.48Å; F103-L107 HydrophobicContact CG-CD1 3.88Å; F103-L107 HydrophobicContact CZ-CD1 3.43Å; F103-L107 VanDerWaalsContact CZ-CD1 3.43Å; F103-L107 HydrophobicContact CZ-CD2 3.66Å; F103-L107 HydrophobicContact CZ-CG 4.18Å; F103-L107 WeakPolarHBondContact O-CB 3.49Å; F103-L107 WeakPolarHBondContact O-CD1 3.36Å; F103-L107 PolarHBondContact O-N 3.43Å |
| 104 | I | 90.1 | Very high | 88 | Confident | 117 Ų | 117 | 97.7 Ų | 97.7 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 174.5 | -71.5 | 162.7 | 0 | 0 | 0 | 110.7 | G100 G101 W108 | G100-I104 WeakPolarHBondContact O-CB 3.16Å; G100-I104 WeakPolarHBondContact O-CD1 3.16Å; G100-I104 WeakPolarHBondContact O-CG1 3.38Å; G100-I104 PolarHBondContact O-N 3.19Å; G101-I104 PolarHBondContact O-N 2.87Å; I104-W108 WeakPolarHBondContact O-CB 3.45Å; I104-W108 PolarHBondContact O-N 2.86Å |
| 105 | I | 89.3 | Confident | 87.7 | Confident | 115 Ų | 115 | 103.2 Ų | 103.2 | 59% | 0.59 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 176.6 | -66.5 | 165 | 0 | 0 | 0 | 110.9 | G101 L102 F103 R109 | G101-I105 WeakPolarHBondContact O-CG1 3.25Å; G101-I105 PolarHBondContact O-N 2.86Å; G101-I105 VanDerWaalsContact O-N 3.11Å; L102-I105 PolarHBondContact O-N 3.3Å; F103-I105 VanDerWaalsContact C-N 3.35Å; F103-I105 PolarHBondContact O-N 3.02Å; I105-R109 WeakPolarHBondContact O-CB 3.37Å; I105-R109 PolarHBondContact O-N 2.88Å |
| 106 | L | 86.6 | Confident | 87.2 | Confident | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 178 | -72.4 | 169.5 | 0 | 0 | 0 | 111.6 | L102 F103 R109 T110 | L102-L106 HydrophobicContact CD1-CD1 4.4Å; L102-L106 HydrophobicContact CG-CD1 4Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 VanDerWaalsContact O-CG 3.25Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.47Å; F103-L106 PolarHBondContact O-N 2.85Å; L106-R109 PolarHBondContact O-N 2.99Å; L106-T110 WeakPolarHBondContact O-CG2 3.18Å; L106-T110 PolarHBondContact O-N 3.22Å; L106-T110 PolarHBondContact O-OG1 3.47Å |
| 107 | L | 89.9 | Confident | 86.5 | Confident | 64 Ų | 64 | 101.5 Ų | 101.5 | 34% | 0.335 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 177.3 | -96.6 | 63.8 | 0 | 0 | 0 | 111.8 | F103 R109 T110 L111 | F103-L107 HydrophobicContact CD1-CD1 3.9Å; F103-L107 HydrophobicContact CD1-CD2 3.94Å; F103-L107 HydrophobicContact CD1-CG 4.47Å; F103-L107 HydrophobicContact CD2-CD1 3.62Å; F103-L107 HydrophobicContact CE1-CD1 3.69Å; F103-L107 HydrophobicContact CE1-CD2 3.33Å; F103-L107 HydrophobicContact CE1-CG 4.13Å; F103-L107 HydrophobicContact CE2-CD1 3.39Å; F103-L107 HydrophobicContact CE2-CD2 4.48Å; F103-L107 HydrophobicContact CG-CD1 3.88Å; F103-L107 HydrophobicContact CZ-CD1 3.43Å; F103-L107 VanDerWaalsContact CZ-CD1 3.43Å; F103-L107 HydrophobicContact CZ-CD2 3.66Å; F103-L107 HydrophobicContact CZ-CG 4.18Å; F103-L107 WeakPolarHBondContact O-CB 3.49Å; F103-L107 WeakPolarHBondContact O-CD1 3.36Å; F103-L107 PolarHBondContact O-N 3.43Å; L107-R109 PolarHBondContact O-N 2.99Å; L107-T110 WeakPolarHBondContact CA-OG1 3.03Å; L107-T110 PolarHBondContact O-N 3.32Å; L107-T110 PolarHBondContact O-OG1 3Å; L107-L111 HydrophobicContact CB-CD1 4.37Å; L107-L111 WeakPolarHBondContact O-CB 3.13Å; L107-L111 WeakPolarHBondContact O-CD1 3.04Å; L107-L111 WeakPolarHBondContact O-CG 3.15Å; L107-L111 PolarHBondContact O-N 3.32Å |
| 108 | W | 90.6 | Very high | 85.4 | Confident | 167 Ų | 167 | 101 Ų | 101 | 63% | 0.633 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -56.7 | -43 | 174.5 | -178.5 | -99.2 | 0 | 0 | 0 | 110.6 | I104 K112 F167 | I104-W108 WeakPolarHBondContact O-CB 3.45Å; I104-W108 PolarHBondContact O-N 2.86Å; W108-K112 WeakPolarHBondContact O-CB 3.5Å; W108-K112 PolarHBondContact O-N 3.11Å; W108-F167 HydrophobicContact CH2-CE1 4.26Å; W108-F167 HydrophobicContact CZ2-CE1 4.07Å |
| 109 | R | 89.1 | Confident | 84.2 | Confident | 151 Ų | 151 | 97.6 Ų | 97.6 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -48 | 178.2 | -147.5 | -170.9 | 168.6 | 135.1 | -8.5 | 112 | I105 L106 L107 K112 Y113 | I105-R109 WeakPolarHBondContact O-CB 3.37Å; I105-R109 PolarHBondContact O-N 2.88Å; L106-R109 PolarHBondContact O-N 2.99Å; L107-R109 PolarHBondContact O-N 2.99Å; R109-K112 PolarHBondContact O-N 2.85Å; R109-Y113 HydrophobicContact CB-CE2 4.46Å; R109-Y113 HydrophobicContact CG-CD2 4.14Å; R109-Y113 HydrophobicContact CG-CE2 3.52Å; R109-Y113 PolarHBondContact NE-OH 3Å; R109-Y113 PolarHBondContact NH2-OH 2.97Å; R109-Y113 WeakPolarHBondContact O-CD2 3.43Å; R109-Y113 PolarHBondContact O-N 3.46Å |
| 110 | T | 88.6 | Confident | 82.6 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | -179.4 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | L106 L107 K112 Y113 L114 | L106-T110 WeakPolarHBondContact O-CG2 3.18Å; L106-T110 PolarHBondContact O-N 3.22Å; L106-T110 PolarHBondContact O-OG1 3.47Å; L107-T110 WeakPolarHBondContact CA-OG1 3.03Å; L107-T110 PolarHBondContact O-N 3.32Å; L107-T110 PolarHBondContact O-OG1 3Å; T110-K112 VanDerWaalsContact C-N 3.34Å; T110-Y113 PolarHBondContact O-N 3.39Å; T110-L114 VanDerWaalsContact O-CB 3.26Å; T110-L114 WeakPolarHBondContact O-CB 3.18Å; T110-L114 PolarHBondContact O-N 3.3Å |
| 111 | L | 85.9 | Confident | 80.7 | Confident | 104 Ų | 104 | 102.3 Ų | 102.3 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 172.3 | -69.1 | 168.2 | 0 | 0 | 0 | 110.9 | L107 W115 | L107-L111 HydrophobicContact CB-CD1 4.37Å; L107-L111 WeakPolarHBondContact O-CB 3.13Å; L107-L111 WeakPolarHBondContact O-CD1 3.04Å; L107-L111 WeakPolarHBondContact O-CG 3.15Å; L107-L111 PolarHBondContact O-N 3.32Å; L111-W115 WeakPolarHBondContact O-CB 3.42Å; L111-W115 PolarHBondContact O-N 2.77Å |
| 112 | K | 84.5 | Confident | 78.8 | Confident | 77 Ų | 77 | 103.5 Ų | 103.5 | 34% | 0.335 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 174.5 | -157.4 | -164.4 | 78.9 | 63.5 | 0 | 112.1 | W108 R109 T110 T116 F167 | W108-K112 WeakPolarHBondContact O-CB 3.5Å; W108-K112 PolarHBondContact O-N 3.11Å; R109-K112 PolarHBondContact O-N 2.85Å; T110-K112 VanDerWaalsContact C-N 3.34Å; K112-T116 WeakPolarHBondContact O-CG2 3.14Å; K112-T116 PolarHBondContact O-N 2.85Å; K112-T116 PolarHBondContact O-OG1 2.77Å; K112-T116 VanDerWaalsContact O-OG1 3.05Å; K112-F167 HydrophobicContact CD-CZ 4.35Å; K112-F167 HydrophobicContact CG-CZ 4.13Å |
| 113 | Y | 80.1 | Confident | 77.1 | Confident | 110 Ų | 110 | 102.7 Ų | 102.7 | 43% | 0.431 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.7 | -49.2 | 174.6 | -72.4 | -52.3 | 0 | 0 | 0 | 111.7 | R109 T110 W115 T116 V117 | R109-Y113 HydrophobicContact CB-CE2 4.46Å; R109-Y113 HydrophobicContact CG-CD2 4.14Å; R109-Y113 HydrophobicContact CG-CE2 3.52Å; R109-Y113 PolarHBondContact NE-OH 3Å; R109-Y113 PolarHBondContact NH2-OH 2.97Å; R109-Y113 WeakPolarHBondContact O-CD2 3.43Å; R109-Y113 PolarHBondContact O-N 3.46Å; T110-Y113 PolarHBondContact O-N 3.39Å; Y113-W115 VanDerWaalsContact C-N 3.29Å; Y113-W115 PolarHBondContact O-N 2.76Å; Y113-T116 WeakPolarHBondContact CA-OG1 3.14Å; Y113-T116 PolarHBondContact O-N 2.81Å; Y113-T116 VanDerWaalsContact O-N 3.12Å; Y113-T116 PolarHBondContact O-OG1 2.94Å; Y113-V117 WeakPolarHBondContact O-CB 3.17Å; Y113-V117 WeakPolarHBondContact O-CG2 3.33Å; Y113-V117 PolarHBondContact O-N 3.17Å |
| 114 | L | 78.7 | Confident | 75.3 | Confident | 110 Ų | 110 | 104.9 Ų | 104.9 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.6 | -39.6 | 177 | -174.1 | 63.7 | 0 | 0 | 0 | 110.8 | T110 V117 C118 | T110-L114 VanDerWaalsContact O-CB 3.26Å; T110-L114 WeakPolarHBondContact O-CB 3.18Å; T110-L114 PolarHBondContact O-N 3.3Å; L114-V117 PolarHBondContact O-N 3.27Å; L114-C118 WeakPolarHBondContact O-CA 3.32Å; L114-C118 WeakPolarHBondContact O-CB 3.43Å; L114-C118 PolarHBondContact O-N 2.9Å |
| 115 | W | 78.2 | Confident | 73.3 | Confident | 172 Ų | 172 | 104.9 Ų | 104.9 | 65% | 0.652 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61 | -49.1 | 172.2 | -174.8 | -104.5 | 0 | 0 | 0 | 111.2 | L111 Y113 V117 C119 | L111-W115 WeakPolarHBondContact O-CB 3.42Å; L111-W115 PolarHBondContact O-N 2.77Å; Y113-W115 VanDerWaalsContact C-N 3.29Å; Y113-W115 PolarHBondContact O-N 2.76Å; W115-V117 PolarHBondContact O-N 2.79Å; W115-C119 WeakPolarHBondContact O-CB 2.91Å; W115-C119 PolarHBondContact O-N 3.13Å; W115-C119 PolarHBondContact O-SG 3.27Å; W115-C119 VanDerWaalsContact O-SG 3.32Å |
| 116 | T | 76.3 | Confident | 71.2 | Confident | 66 Ų | 66 | 107.9 Ų | 107.9 | 41% | 0.405 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64 | -39.1 | 177.6 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | K112 Y113 H120 | K112-T116 WeakPolarHBondContact O-CG2 3.14Å; K112-T116 PolarHBondContact O-N 2.85Å; K112-T116 PolarHBondContact O-OG1 2.77Å; K112-T116 VanDerWaalsContact O-OG1 3.05Å; Y113-T116 WeakPolarHBondContact CA-OG1 3.14Å; Y113-T116 PolarHBondContact O-N 2.81Å; Y113-T116 VanDerWaalsContact O-N 3.12Å; Y113-T116 PolarHBondContact O-OG1 2.94Å; T116-H120 WeakPolarHBondContact O-CB 3.39Å; T116-H120 PolarHBondContact O-N 2.92Å |
| 117 | V | 77.9 | Confident | 69.2 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -77.3 | -44.2 | -178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | Y113 L114 W115 H120 C121 | Y113-V117 WeakPolarHBondContact O-CB 3.17Å; Y113-V117 WeakPolarHBondContact O-CG2 3.33Å; Y113-V117 PolarHBondContact O-N 3.17Å; L114-V117 PolarHBondContact O-N 3.27Å; W115-V117 PolarHBondContact O-N 2.79Å; V117-H120 PolarHBondContact O-N 3.02Å; V117-C121 PolarHBondContact O-N 3.34Å |
| 118 | C | 64.3 | Low | 67 | Low | 79 Ų | 79 | 109.3 Ų | 109.3 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.1 | -34.4 | 177.5 | -161.4 | 0 | 0 | 0 | 0 | 111.5 | L114 G122 | L114-C118 WeakPolarHBondContact O-CA 3.32Å; L114-C118 WeakPolarHBondContact O-CB 3.43Å; L114-C118 PolarHBondContact O-N 2.9Å; C118-G122 WeakPolarHBondContact O-CA 3.43Å; C118-G122 PolarHBondContact O-N 2.95Å |
| 119 | C | 62.3 | Low | 64.3 | Low | 65 Ų | 65 | 109.7 Ų | 109.7 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.9 | -33.2 | 169.3 | -70.9 | 0 | 0 | 0 | 0 | 113.1 | W115 C121 G122 G123 | W115-C119 WeakPolarHBondContact O-CB 2.91Å; W115-C119 PolarHBondContact O-N 3.13Å; W115-C119 PolarHBondContact O-SG 3.27Å; W115-C119 VanDerWaalsContact O-SG 3.32Å; C119-C121 VanDerWaalsContact C-N 3.3Å; C119-C121 PolarHBondContact O-N 3.05Å; C119-G122 PolarHBondContact O-N 2.77Å; C119-G123 PolarHBondContact O-N 2.82Å |
| 120 | H | 57.4 | Low | 61.8 | Low | 158 Ų | 158 | 112.1 Ų | 112.1 | 73% | 0.731 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.3 | -28.3 | 175.6 | -162.7 | -93.4 | 0 | 0 | 0 | 112.4 | T116 V117 | T116-H120 WeakPolarHBondContact O-CB 3.39Å; T116-H120 PolarHBondContact O-N 2.92Å; V117-H120 PolarHBondContact O-N 3.02Å |
| 121 | C | 53.8 | Low | 59.3 | Low | 84 Ų | 84 | 115.7 Ų | 115.7 | 57% | 0.568 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -87.1 | -35.9 | 170.7 | -69.5 | 0 | 0 | 0 | 0 | 113.4 | V117 C119 G123 K124 | V117-C121 PolarHBondContact O-N 3.34Å; C119-C121 VanDerWaalsContact C-N 3.3Å; C119-C121 PolarHBondContact O-N 3.05Å; C121-G123 PolarHBondContact O-N 2.83Å; C121-G123 VanDerWaalsContact O-N 3.16Å; C121-K124 PolarHBondContact O-N 3.33Å |
| 122 | G | 51.9 | Low | 57.2 | Low | 59 Ų | 59 | 122.6 Ų | 122.6 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.9 | -17.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C118 C119 | C118-G122 WeakPolarHBondContact O-CA 3.43Å; C118-G122 PolarHBondContact O-N 2.95Å; C119-G122 PolarHBondContact O-N 2.77Å |
| 123 | G | 53.2 | Low | 55 | Low | 72 Ų | 72 | 126 Ų | 126 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -12.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C119 C121 | C119-G123 PolarHBondContact O-N 2.82Å; C121-G123 PolarHBondContact O-N 2.83Å; C121-G123 VanDerWaalsContact O-N 3.16Å |
| 124 | K | 52.8 | Low | 52.8 | Low | 169 Ų | 169 | 124.1 Ų | 124.1 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -110.4 | 96.6 | 177.4 | -87.5 | 179.9 | 174.2 | 176 | 0 | 110.4 | C121 | C121-K124 PolarHBondContact O-N 3.33Š|
| 125 | T | 47 | Very low | 51.2 | Low | 116 Ų | 116 | 125.8 Ų | 125.8 | 71% | 0.712 | 69% | 0.693 | S | S | * | * | | | trans | 71.1 | 108.4 | 168.9 | -41.7 | 0 | 0 | 0 | 0 | 114 | G127 | T125-G127 PolarHBondContact O-N 3.24Š|
| 126 | K | 46.3 | Very low | 49.3 | Very low | 178 Ų | 178 | 121.1 Ų | 121.1 | 77% | 0.774 | 70% | 0.698 | S | S | * | * | | | trans | -64.5 | 80.5 | 153.8 | -68.3 | -178.5 | 178.7 | -179.3 | 0 | 108.1 | W129 | K126-W129 HydrophobicContact CB-CH2 3.87Å; K126-W129 HydrophobicContact CB-CZ3 3.75Å; K126-W129 HydrophobicContact CD-CH2 4.3Å; K126-W129 HydrophobicContact CD-CZ3 4.23Å; K126-W129 HydrophobicContact CG-CZ3 4.48Å |
| 127 | G | 44.9 | Very low | 47.9 | Very low | 57 Ų | 57 | 124.2 Ų | 124.2 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | | | trans | -119 | 5.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T125 | T125-G127 PolarHBondContact O-N 3.24Š|
| 128 | C | 43.2 | Very low | 45.9 | Very low | 132 Ų | 132 | 123 Ų | 123 | 89% | 0.892 | 73% | 0.728 | S | S | * | * | | | trans | -100.5 | 60.4 | 169 | -160 | 0 | 0 | 0 | 0 | 110.7 | | |
| 129 | W | 33.5 | Very low | 45.2 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | | | trans | -141 | 123.3 | 143.9 | 61.9 | 75.6 | 0 | 0 | 0 | 109.2 | K126 | K126-W129 HydrophobicContact CB-CH2 3.87Å; K126-W129 HydrophobicContact CB-CZ3 3.75Å; K126-W129 HydrophobicContact CD-CH2 4.3Å; K126-W129 HydrophobicContact CD-CZ3 4.23Å; K126-W129 HydrophobicContact CG-CZ3 4.48Å |
| 130 | R | 37.7 | Very low | 43.8 | Very low | 202 Ų | 202 | 131 Ų | 131 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | | 161.1 | 107.5 | 127.4 | -174 | 158.9 | -66.8 | -94.9 | 0.3 | 106.7 | R132 | R130-R132 PolarHBondContact O-N 3.17Š|
| 131 | L | 35.7 | Very low | 43.1 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | -50.7 | 142.2 | 160 | -82.7 | 77.9 | 0 | 0 | 0 | 108.1 | L133 | L131-L133 PolarHBondContact O-N 3.19Š|
| 132 | R | 42.1 | Very low | 42.5 | Very low | 249 Ų | 249 | 138.2 Ų | 138.2 | 94% | 0.94 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -49.6 | 107.5 | -177 | -60.4 | 178.8 | -178 | -154.6 | 2 | 111.6 | R130 | R130-R132 PolarHBondContact O-N 3.17Š|
| 133 | L | 38.6 | Very low | 41.8 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | -149 | 117.4 | 161.2 | -89.3 | 111.5 | 0 | 0 | 0 | 110.3 | L131 | L131-L133 PolarHBondContact O-N 3.19Š|
| 134 | G | 33.4 | Very low | 41.2 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | 86.8 | 117.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | G136 | G134-G136 PolarHBondContact O-N 3.15Š|
| 135 | P | 44.9 | Very low | 40.5 | Very low | 145 Ų | 145 | 144 Ų | 144 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | | | trans | -76.4 | 103.2 | 156.5 | 31.6 | -28.3 | 0 | 0 | 0 | 108.6 | | |
| 136 | G | 38.2 | Very low | 40 | Very low | 73 Ų | 73 | 141.2 Ų | 141.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -127.6 | 118 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | G134 G138 | G134-G136 PolarHBondContact O-N 3.15Å; G136-G138 PolarHBondContact O-N 3.15Å |
| 137 | S | 48 | Very low | 39.8 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -59.9 | 128.4 | 179.1 | 40.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 138 | G | 35.8 | Very low | 39.2 | Very low | 64 Ų | 64 | 138.2 Ų | 138.2 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | trans | -167.3 | 111.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G136 H140 | G136-G138 PolarHBondContact O-N 3.15Å; G138-H140 PolarHBondContact O-N 2.96Å |
| 139 | T | 48.6 | Very low | 38.9 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | | | trans | -74.7 | 64.5 | -176.6 | 38.7 | 0 | 0 | 0 | 0 | 112.8 | R141 | T139-R141 PolarHBondContact O-N 3.03Å; T139-R141 VanDerWaalsContact O-N 3.12Å |
| 140 | H | 32.3 | Very low | 38.8 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | trans | -74.4 | 102.5 | 165.4 | -90.9 | -117.4 | 0 | 0 | 0 | 109.9 | G138 L142 | G138-H140 PolarHBondContact O-N 2.96Å; H140-L142 HydrophobicContact CB-CD1 3.97Å; H140-L142 PolarHBondContact O-N 3.32Å |
| 141 | R | 44.3 | Very low | 38.8 | Very low | 245 Ų | 245 | 138.2 Ų | 138.2 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | | | trans | -66.8 | 79.2 | 166.2 | -164.3 | -171.9 | -131.1 | -94.5 | 6.5 | 108.6 | T139 G143 | T139-R141 PolarHBondContact O-N 3.03Å; T139-R141 VanDerWaalsContact O-N 3.12Å; R141-G143 PolarHBondContact O-N 2.86Å |
| 142 | L | 40.1 | Very low | 39 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | -67.3 | 76.1 | 175.2 | -82.8 | 122.1 | 0 | 0 | 0 | 110.2 | H140 C144 | H140-L142 HydrophobicContact CB-CD1 3.97Å; H140-L142 PolarHBondContact O-N 3.32Å; L142-C144 VanDerWaalsContact C-N 3.27Å; L142-C144 PolarHBondContact O-N 3.44Å |
| 143 | G | 36.7 | Very low | 38.7 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | -68.2 | 86.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R141 R145 | R141-G143 PolarHBondContact O-N 2.86Å; G143-R145 PolarHBondContact O-N 3.44Å |
| 144 | C | 40.4 | Very low | 39 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | trans | -61.4 | 88.9 | 160 | -71.5 | 0 | 0 | 0 | 0 | 108 | L142 G146 | L142-C144 VanDerWaalsContact C-N 3.27Å; L142-C144 PolarHBondContact O-N 3.44Å; C144-G146 PolarHBondContact O-N 2.8Å |
| 145 | R | 39 | Very low | 39.3 | Very low | 243 Ų | 243 | 140.8 Ų | 140.8 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | -70 | 78.7 | 165.5 | -173.7 | -178.8 | -79.7 | -96.9 | 5.8 | 107 | G143 | G143-R145 PolarHBondContact O-N 3.44Š|
| 146 | G | 36.2 | Very low | 38.9 | Very low | 56 Ų | 56 | 136.8 Ų | 136.8 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | -55 | 145.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | C144 G148 | C144-G146 PolarHBondContact O-N 2.8Å; G146-G148 PolarHBondContact O-N 3.4Å |
| 147 | A | 41.9 | Very low | 39.3 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | -61.5 | 96.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | W149 | A147-W149 PolarHBondContact O-N 3.12Š|
| 148 | G | 33.4 | Very low | 38.6 | Very low | 67 Ų | 67 | 150 Ų | 150 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | trans | -62 | 129.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109 | G146 G150 | G146-G148 PolarHBondContact O-N 3.4Å; G148-G150 PolarHBondContact O-N 2.77Å |
| 149 | W | 35.2 | Very low | 38.9 | Very low | 260 Ų | 260 | 157.1 Ų | 157.1 | 99% | 0.985 | 82% | 0.817 | S | S | * | * | | | trans | -63.5 | 95.6 | 148.1 | -76.3 | 85 | 0 | 0 | 0 | 105.7 | A147 Q151 | A147-W149 PolarHBondContact O-N 3.12Å; W149-Q151 PolarHBondContact O-N 2.73Å |
| 150 | G | 33 | Very low | 38.5 | Very low | 68 Ų | 68 | 157.9 Ų | 157.9 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | -61.3 | 119.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G148 | G148-G150 PolarHBondContact O-N 2.77Š|
| 151 | Q | 36.1 | Very low | 38.8 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | -57.3 | 133 | 161.4 | -164.4 | 167.7 | 13.3 | 0 | 0 | 107.7 | W149 T153 | W149-Q151 PolarHBondContact O-N 2.73Å; Q151-T153 PolarHBondContact O-N 2.77Å |
| 152 | P | 41 | Very low | 38.6 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -79 | 98.1 | -165 | 30.1 | -35.1 | 0 | 0 | 0 | 111.4 | | |
| 153 | T | 35.5 | Very low | 39 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -125.5 | 132 | 165.6 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | Q151 | Q151-T153 PolarHBondContact O-N 2.77Š|
| 154 | Q | 44.2 | Very low | 39.1 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -47.2 | 160.1 | -171.7 | -81.5 | -79.5 | -8.2 | 0 | 0 | 118.7 | | |
| 155 | R | 41.1 | Very low | 39.1 | Very low | 244 Ų | 244 | 144.3 Ų | 144.3 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | 73 | 128 | 169.3 | -67.8 | 177.8 | 166.2 | 174.9 | -4.6 | 118.1 | | |
| 156 | G | 36.2 | Very low | 39.2 | Very low | 61 Ų | 61 | 138.4 Ų | 138.4 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | trans | 130.9 | 50.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | R158 | G156-R158 PolarHBondContact O-N 3.19Å; G156-R158 VanDerWaalsContact O-N 3.17Å |
| 157 | R | 46.4 | Very low | 39.2 | Very low | 257 Ų | 257 | 141.4 Ų | 141.4 | 97% | 0.97 | 80% | 0.797 | S | S | * | * | | | trans | 16.4 | 86.3 | 149.7 | -162.9 | -174.9 | -161.5 | -143.5 | 8.1 | 116.2 | | |
| 158 | R | 33.5 | Very low | 39 | Very low | 225 Ų | 225 | 142 Ų | 142 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | | | trans | -130.6 | 129.9 | 163 | -65.4 | -175 | -167.9 | -139.6 | -0.1 | 109.4 | G156 L160 | G156-R158 PolarHBondContact O-N 3.19Å; G156-R158 VanDerWaalsContact O-N 3.17Å; R158-L160 PolarHBondContact O-N 2.92Å; R158-L160 VanDerWaalsContact O-N 3.15Å |
| 159 | K | 41.4 | Very low | 39.3 | Very low | 213 Ų | 213 | 144.5 Ų | 144.5 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | | | trans | -57.2 | 117.1 | 169.8 | -78.9 | -175.1 | 172.8 | -175.4 | 0 | 108 | G161 | K159-G161 PolarHBondContact O-N 3.34Å; K159-G161 VanDerWaalsContact O-N 3.15Å |
| 160 | L | 41.1 | Very low | 39.4 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -69.3 | 107.9 | 159.9 | -102 | 70.5 | 0 | 0 | 0 | 107 | R158 A162 | R158-L160 PolarHBondContact O-N 2.92Å; R158-L160 VanDerWaalsContact O-N 3.15Å; L160-A162 PolarHBondContact O-N 2.85Å; L160-A162 VanDerWaalsContact O-N 3.13Å |
| 161 | G | 38.5 | Very low | 39.4 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -63.2 | 111.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | K159 A163 | K159-G161 PolarHBondContact O-N 3.34Å; K159-G161 VanDerWaalsContact O-N 3.15Å; G161-A163 PolarHBondContact O-N 3.49Å |
| 162 | A | 40.2 | Very low | 39.4 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -65 | 102.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L160 G164 | L160-A162 PolarHBondContact O-N 2.85Å; L160-A162 VanDerWaalsContact O-N 3.13Å; A162-G164 PolarHBondContact O-N 2.75Å |
| 163 | A | 48.4 | Very low | 39.6 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -72.6 | 57.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | G161 C165 | G161-A163 PolarHBondContact O-N 3.49Å; A163-C165 PolarHBondContact O-N 3.24Å |
| 164 | G | 38.8 | Very low | 39.9 | Very low | 53 Ų | 53 | 136 Ų | 136 | 55% | 0.546 | 78% | 0.777 | S | S | . | * | | | trans | -69.7 | 113.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | A162 V166 | A162-G164 PolarHBondContact O-N 2.75Å; G164-V166 PolarHBondContact O-N 3.44Å |
| 165 | C | 39.7 | Very low | 39.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -65.6 | 81.6 | 162.2 | -67.1 | 0 | 0 | 0 | 0 | 108 | A163 F167 | A163-C165 PolarHBondContact O-N 3.24Å; C165-F167 PolarHBondContact O-N 2.99Å |
| 166 | V | 41.9 | Very low | 39.5 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | trans | -58 | 120.6 | 170.2 | 176.1 | 0 | 0 | 0 | 0 | 106.3 | G164 C168 | G164-V166 PolarHBondContact O-N 3.44Å; V166-C168 PolarHBondContact O-N 2.79Å |
| 167 | F | 36.5 | Very low | 39.4 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 52% | 0.518 | 77% | 0.774 | S | S | . | * | | | trans | -59.2 | 105.1 | 167.4 | -118.6 | -101.8 | 0 | 0 | 0 | 106.9 | W108 K112 C165 T169 | W108-F167 HydrophobicContact CH2-CE1 4.26Å; W108-F167 HydrophobicContact CZ2-CE1 4.07Å; K112-F167 HydrophobicContact CD-CZ 4.35Å; K112-F167 HydrophobicContact CG-CZ 4.13Å; C165-F167 PolarHBondContact O-N 2.99Å; F167-T169 PolarHBondContact O-N 3.47Å; F167-T169 PolarHBondContact O-OG1 2.96Å |
| 168 | C | 37.3 | Very low | 38.9 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -68.7 | 85.2 | 162.7 | -72.6 | 0 | 0 | 0 | 0 | 106.8 | V166 A170 | V166-C168 PolarHBondContact O-N 2.79Å; C168-A170 PolarHBondContact O-N 3.16Å |
| 169 | T | 39.6 | Very low | 39.1 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | | | trans | -57.7 | 108.9 | 170.1 | -35.7 | 0 | 0 | 0 | 0 | 106.9 | F167 H171 | F167-T169 PolarHBondContact O-N 3.47Å; F167-T169 PolarHBondContact O-OG1 2.96Å; T169-H171 PolarHBondContact O-N 2.93Å |
| 170 | A | 37.4 | Very low | 38.7 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | | | trans | -63.3 | 101.8 | 178 | 0 | 0 | 0 | 0 | 0 | 108.4 | C168 L172 | C168-A170 PolarHBondContact O-N 3.16Å; A170-L172 PolarHBondContact O-N 2.81Å |
| 171 | H | 32.5 | Very low | 38.4 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | -76.4 | 87.7 | -176.4 | -177.7 | -74.9 | 0 | 0 | 0 | 109.1 | T169 P173 | T169-H171 PolarHBondContact O-N 2.93Å; H171-P173 VanDerWaalsContact O-CD 3.27Å; H171-P173 WeakPolarHBondContact O-CD 3.26Å |
| 172 | L | 37 | Very low | 38.6 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | -60.7 | 117.5 | 168.9 | -89.3 | 74 | 0 | 0 | 0 | 108.7 | A170 G174 | A170-L172 PolarHBondContact O-N 2.81Å; L172-G174 PolarHBondContact O-N 2.92Å |
| 173 | P | 43.7 | Very low | 38.3 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 103.7 | 176.5 | 31.9 | -29.7 | 0 | 0 | 0 | 108.8 | H171 | H171-P173 VanDerWaalsContact O-CD 3.27Å; H171-P173 WeakPolarHBondContact O-CD 3.26Å |
| 174 | G | 41.4 | Very low | 37.7 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.8 | -17.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | L172 | L172-G174 PolarHBondContact O-N 2.92Š|
| 175 | L | 38.9 | Very low | 37.6 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -130.4 | 145.3 | 178.5 | -76.7 | 165.4 | 0 | 0 | 0 | 111.6 | | |
| 176 | G | 38 | Very low | 37.9 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | | | trans | -56.1 | 145.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | W178 | G176-W178 PolarHBondContact O-N 2.77Š|
| 177 | S | 35.5 | Very low | 37.4 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -64.4 | 89 | -177.8 | -172 | 0 | 0 | 0 | 0 | 113.2 | R179 | S177-R179 PolarHBondContact O-N 2.75Š|
| 178 | W | 35.7 | Very low | 38.1 | Very low | 227 Ų | 227 | 139.1 Ų | 139.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -76 | 82.4 | 158.4 | -75.3 | 80.3 | 0 | 0 | 0 | 109 | G176 W180 | G176-W178 PolarHBondContact O-N 2.77Å; W178-W180 PolarHBondContact O-N 3.12Å |
| 179 | R | 37.3 | Very low | 37.9 | Very low | 218 Ų | 218 | 139.3 Ų | 139.3 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | | | trans | -61.1 | 92.9 | 173.8 | -98.5 | -179.5 | 175.1 | -107.3 | 3.4 | 110.6 | S177 A181 | S177-R179 PolarHBondContact O-N 2.75Å; R179-A181 PolarHBondContact O-N 2.8Å; R179-A181 VanDerWaalsContact O-N 3.12Å |
| 180 | W | 33.8 | Very low | 37.7 | Very low | 241 Ų | 241 | 141.9 Ų | 141.9 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | | | trans | -73.8 | 97.6 | 154.3 | -85.2 | 86.2 | 0 | 0 | 0 | 108.6 | W178 R182 | W178-W180 PolarHBondContact O-N 3.12Å; W180-R182 PolarHBondContact O-N 3.5Å |
| 181 | A | 34.9 | Very low | 37.2 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | -67.8 | 92.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R179 G183 | R179-A181 PolarHBondContact O-N 2.8Å; R179-A181 VanDerWaalsContact O-N 3.12Å; A181-G183 PolarHBondContact O-N 2.97Å |
| 182 | R | 42.4 | Very low | 37.6 | Very low | 243 Ų | 243 | 139.4 Ų | 139.4 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -85 | 82.8 | 167.3 | -158.4 | 175.9 | -147.7 | -168.9 | 5.8 | 109.4 | W180 S184 | W180-R182 PolarHBondContact O-N 3.5Å; R182-S184 PolarHBondContact O-N 2.84Å |
| 183 | G | 32.6 | Very low | 37.6 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | -56.5 | 133.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A181 | A181-G183 PolarHBondContact O-N 2.97Š|
| 184 | S | 36.9 | Very low | 37.3 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -122.1 | 81.7 | 172.8 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | R182 S186 | R182-S184 PolarHBondContact O-N 2.84Å; S184-S186 PolarHBondContact O-N 3.47Å |
| 185 | T | 36.1 | Very low | 37 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -70.7 | 122 | 175.3 | 28.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 186 | S | 45.8 | Very low | 36.9 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -123.7 | 74.3 | 166.6 | 173.9 | 0 | 0 | 0 | 0 | 109.4 | S184 | S184-S186 PolarHBondContact O-N 3.47Š|
| 187 | A | 32.3 | Very low | 37.2 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -147.1 | 140.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 188 | H | 50.3 | Low | 36.9 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -63.2 | 148.6 | 165.3 | -73 | -112.4 | 0 | 0 | 0 | 108.6 | | |
| 189 | T | 34.1 | Very low | 36.8 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 111.4 | 102.4 | 175.2 | -49.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 190 | L | 34.3 | Very low | 36.7 | Very low | 173 Ų | 173 | 133 Ų | 133 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | trans | 60.9 | 151 | 150.3 | -62 | 169.1 | 0 | 0 | 0 | 119.9 | | |
| 191 | G | 28 | Very low | 36.7 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 122.4 | 58.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 192 | T | 40.2 | Very low | 36.7 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | trans | -59.4 | 161.7 | 154.5 | 40.8 | 0 | 0 | 0 | 0 | 110.4 | W194 | T192-W194 PolarHBondContact O-N 3.32Š|
| 193 | C | 37.9 | Very low | 36.4 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -35.3 | 135 | 171.8 | -60.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 194 | W | 36.9 | Very low | 36.7 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | | | trans | -119.9 | 126.3 | 165.1 | -93.6 | 37.9 | 0 | 0 | 0 | 110.9 | T192 F198 | T192-W194 PolarHBondContact O-N 3.32Å; W194-F198 HydrophobicContact CH2-CB 3.67Å; W194-F198 WeakPolarHBondContact CH2-O 3.39Å; W194-F198 HydrophobicContact CZ2-CB 3.7Å; W194-F198 HydrophobicContact CZ2-CD2 4.38Å |
| 195 | G | 35.6 | Very low | 36.5 | Very low | 58 Ų | 58 | 135.8 Ų | 135.8 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | | | cis | 69.6 | 64.6 | -13.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 196 | D | 36.2 | Very low | 36.3 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 72.2 | 114.9 | 160.7 | -64.7 | -84.4 | 0 | 0 | 0 | 120.4 | | |
| 197 | E | 45.2 | Very low | 35.6 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | | | trans | 25 | 116.4 | 141.2 | -161.3 | -171 | 137.1 | 0 | 0 | 121.5 | | |
| 198 | F | 27.9 | Very low | 35.7 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | | | trans | -148.7 | 127.7 | 144.5 | -93.8 | -96.7 | 0 | 0 | 0 | 106.5 | W194 | W194-F198 HydrophobicContact CH2-CB 3.67Å; W194-F198 WeakPolarHBondContact CH2-O 3.39Å; W194-F198 HydrophobicContact CZ2-CB 3.7Å; W194-F198 HydrophobicContact CZ2-CD2 4.38Å |
| 199 | V | 34.4 | Very low | 35 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | | | | 51.6 | 108.5 | 81.7 | 165.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 200 | G | 35.3 | Very low | 35.2 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 76% | 0.755 | S | S | * | * | | | trans | -96.6 | 173.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 201 | S | 34.3 | Very low | 35.2 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | trans | -162.9 | 131.6 | 153.7 | -167 | 0 | 0 | 0 | 0 | 103.7 | | |
| 202 | E | 34.4 | Very low | 35.8 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | | -156.7 | 148.3 | 57.7 | -92.1 | 173.3 | 64.5 | 0 | 0 | 107.7 | | |
| 203 | R | 34.8 | Very low | 35.7 | Very low | 201 Ų | 201 | 149 Ų | 149 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | | | cis | 54.1 | 89.1 | 32.6 | -161.9 | -175.7 | -128.4 | -115.6 | 7.1 | 111.5 | | |
| 204 | R | 40 | Very low | 35.6 | Very low | 203 Ų | 203 | 150.4 Ų | 150.4 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | | -174.9 | 177.3 | 52.5 | -148.1 | -178.4 | -176.5 | -159.5 | 1.6 | 111.8 | | |
| 205 | E | 32.7 | Very low | 35.5 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 66% | 0.659 | 78% | 0.781 | S | S | * | * | | | trans | 80.8 | 127.5 | 167.2 | -49.9 | -145.7 | 131 | 0 | 0 | 115.1 | | |
| 206 | K | 31.6 | Very low | 35.5 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | cis | -148.6 | 155.7 | -2.6 | -95.1 | 143.6 | 179.1 | 150.4 | 0 | 104.7 | | |
| 207 | S | 32 | Very low | 35.5 | Very low | 96 Ų | 96 | 155.8 Ų | 155.8 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | cis | -178.1 | 153.9 | 47.9 | -118.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 208 | F | 33.8 | Very low | 34.8 | Very low | 206 Ų | 206 | 155.9 Ų | 155.9 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | | | trans | 66 | 126.3 | 145.5 | -81.8 | -117.2 | 0 | 0 | 0 | 122.7 | | |
| 209 | G | 35 | Very low | 35.3 | Very low | 74 Ų | 74 | 155.7 Ų | 155.7 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | 94.2 | 146.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 210 | Q | 39 | Very low | 35.4 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | | | cis | -167 | 132.6 | -13.1 | -173.2 | 170.2 | 10.5 | 0 | 0 | 109.9 | | |
| 211 | G | 35 | Very low | 35.4 | Very low | 68 Ų | 68 | 164.4 Ų | 164.4 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | | | trans | 90.9 | 132.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 212 | R | 40.3 | Very low | 35.5 | Very low | 245 Ų | 245 | 169.5 Ų | 169.5 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | | | trans | 66.2 | 142.5 | 149.5 | -62.9 | 179.1 | 176.6 | 159.4 | -1.9 | 116.7 | | |
| 213 | E | 37 | Very low | 35.6 | Very low | 261 Ų | 261 | 168.9 Ų | 168.9 | 100% | 1.22 | 82% | 0.819 | S | S | * | * | | | cis | -124.4 | 0 | 14.5 | -66.6 | 175.4 | 141.9 | 0 | 0 | 112.5 | | |