| 1 | M | 41.8 | Very low | 42.8 | Very low | 253 Ų | 253 | 119.1 Ų | 119.1 | 100% | 1.246 | 89% | 0.893 | S | S | * | * | | | | 0 | 109.8 | 0 | -68.3 | 159.3 | 178.9 | 0 | 0 | 107.1 | | |
| 2 | G | 51.8 | Low | 43.4 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 90% | 0.895 | S | S | * | * | | | trans | -102.1 | 141.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 3 | C | 38.2 | Very low | 43.1 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 93% | 0.926 | 89% | 0.887 | S | S | * | * | | | trans | -162.5 | 145.3 | 159.4 | -104.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 4 | C | 46.2 | Very low | 42.7 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 94% | 0.939 | 89% | 0.891 | S | S | * | * | | | trans | -77.7 | 163.5 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 112 | | |
| 5 | G | 38.6 | Very low | 42.3 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 79% | 0.794 | 89% | 0.887 | S | S | * | * | | | trans | 169.6 | 113.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 6 | C | 46.8 | Very low | 41.9 | Very low | 122 Ų | 122 | 113.3 Ų | 113.3 | 82% | 0.824 | 88% | 0.879 | S | S | * | * | | | trans | -74 | 155.1 | 176 | -55.4 | 0 | 0 | 0 | 0 | 112 | | |
| 7 | S | 45.4 | Very low | 41.8 | Very low | 123 Ų | 123 | 115 Ų | 115 | 86% | 0.86 | 88% | 0.884 | S | S | * | * | | | | 161.3 | 134 | 110.1 | -70.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 8 | G | 40.7 | Very low | 41.5 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 90% | 0.897 | 88% | 0.881 | S | S | * | * | | | trans | 104.6 | 118.5 | 139.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 9 | G | 35.5 | Very low | 41.7 | Very low | 79 Ų | 79 | 114.2 Ų | 114.2 | 81% | 0.814 | 88% | 0.884 | S | S | * | * | | | trans | 113.2 | 81.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 10 | C | 44.8 | Very low | 41.5 | Very low | 141 Ų | 141 | 112.4 Ų | 112.4 | 95% | 0.953 | 88% | 0.88 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 131.7 | 170.1 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 11 | G | 41.1 | Very low | 41.2 | Very low | 77 Ų | 77 | 113.7 Ų | 113.7 | 79% | 0.794 | 88% | 0.883 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 155.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 12 | S | 49.5 | Very low | 41.2 | Very low | 132 Ų | 132 | 105.8 Ų | 105.8 | 92% | 0.923 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 143.5 | 167.9 | -47.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 13 | G | 39.4 | Very low | 40.3 | Very low | 77 Ų | 77 | 106 Ų | 106 | 79% | 0.794 | 87% | 0.869 | S | S | * | * | | | trans | -164.4 | 64.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 14 | C | 38.3 | Very low | 40.3 | Very low | 139 Ų | 139 | 106.2 Ų | 106.2 | 94% | 0.939 | 87% | 0.87 | S | S | * | * | | | trans | -73.7 | 138.2 | 176.9 | -59 | 0 | 0 | 0 | 0 | 111.7 | | |
| 15 | G | 36 | Very low | 39.9 | Very low | 80 Ų | 80 | 102.8 Ų | 102.8 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | | | trans | -149.5 | 129.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 16 | G | 36.4 | Very low | 40.2 | Very low | 74 Ų | 74 | 105.4 Ų | 105.4 | 76% | 0.763 | 87% | 0.865 | S | S | * | * | | | trans | 95.5 | 80.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 17 | C | 39.5 | Very low | 39.8 | Very low | 143 Ų | 143 | 103.2 Ų | 103.2 | 97% | 0.966 | 86% | 0.863 | S | S | * | * | | | trans | 32.1 | 119.6 | 136.3 | -53 | 0 | 0 | 0 | 0 | 121.1 | | |
| 18 | G | 36.4 | Very low | 39.3 | Very low | 80 Ų | 80 | 103.9 Ų | 103.9 | 83% | 0.825 | 87% | 0.866 | S | S | * | * | | | trans | 170.3 | 88.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 19 | S | 45.9 | Very low | 39.3 | Very low | 134 Ų | 134 | 104 Ų | 104 | 94% | 0.937 | 87% | 0.867 | S | S | * | * | | | trans | -41.2 | 137.7 | 179.4 | -45.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 20 | G | 37.5 | Very low | 39.4 | Very low | 79 Ų | 79 | 103.5 Ų | 103.5 | 81% | 0.814 | 86% | 0.862 | S | S | * | * | | | trans | 146.4 | 89 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 21 | C | 36.3 | Very low | 39 | Very low | 140 Ų | 140 | 103.3 Ų | 103.3 | 95% | 0.946 | 86% | 0.861 | S | S | * | * | | | trans | -48.3 | 143.5 | -178.3 | -53.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 22 | G | 40.4 | Very low | 38.8 | Very low | 86 Ų | 86 | 103.4 Ų | 103.4 | 89% | 0.887 | 86% | 0.862 | S | S | * | * | | | trans | 118.2 | 93.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 23 | G | 33.5 | Very low | 38.5 | Very low | 80 Ų | 80 | 103.7 Ų | 103.7 | 83% | 0.825 | 86% | 0.864 | S | S | * | * | | | trans | -164.1 | 82.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 24 | C | 38.7 | Very low | 38.8 | Very low | 141 Ų | 141 | 103.4 Ų | 103.4 | 95% | 0.953 | 86% | 0.861 | S | S | * | * | | | trans | -81.6 | 131.2 | 172 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 25 | G | 37.8 | Very low | 38.7 | Very low | 68 Ų | 68 | 103.2 Ų | 103.2 | 70% | 0.701 | 86% | 0.859 | S | S | * | * | S | Bend | trans | 115.1 | 118.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 26 | S | 43.4 | Very low | 38.9 | Very low | 131 Ų | 131 | 103.1 Ų | 103.1 | 92% | 0.916 | 86% | 0.859 | S | S | * | * | | | trans | 68 | 93.2 | 145.9 | -51.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 27 | G | 38.9 | Very low | 38.8 | Very low | 76 Ų | 76 | 103.4 Ų | 103.4 | 78% | 0.784 | 86% | 0.862 | S | S | * | * | | | trans | -83.1 | 165.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 28 | C | 35.8 | Very low | 38.7 | Very low | 137 Ų | 137 | 103 Ų | 103 | 93% | 0.926 | 86% | 0.859 | S | S | * | * | | | trans | -150.3 | 128.4 | 134.6 | -99.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 29 | G | 39.7 | Very low | 38.9 | Very low | 89 Ų | 89 | 102.7 Ų | 102.7 | 92% | 0.918 | 86% | 0.855 | S | S | * | * | | | trans | -75.5 | 154.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 30 | G | 38.5 | Very low | 38.7 | Very low | 70 Ų | 70 | 102.1 Ų | 102.1 | 72% | 0.722 | 85% | 0.852 | S | S | * | * | | | trans | 174.4 | 97.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 31 | C | 36.1 | Very low | 39.1 | Very low | 136 Ų | 136 | 102.2 Ų | 102.2 | 92% | 0.919 | 85% | 0.853 | S | S | * | * | | | trans | 61.5 | 103.2 | 143.5 | -54.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 32 | G | 37.1 | Very low | 39.1 | Very low | 79 Ų | 79 | 101.8 Ų | 101.8 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | | | | 74.3 | 81 | 126.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | G34 | G32-G34 PolarHBondContact O-N 3.1Š|
| 33 | S | 43.7 | Very low | 39.2 | Very low | 139 Ų | 139 | 101.5 Ų | 101.5 | 97% | 0.972 | 85% | 0.847 | S | S | * | * | | | trans | -63.5 | 111.9 | 166.4 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 34 | G | 45.8 | Very low | 39.6 | Very low | 70 Ų | 70 | 101.5 Ų | 101.5 | 72% | 0.722 | 85% | 0.847 | S | S | * | * | | | trans | -172.7 | 53.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | G32 | G32-G34 PolarHBondContact O-N 3.1Š|
| 35 | C | 36.2 | Very low | 39.6 | Very low | 135 Ų | 135 | 101 Ų | 101 | 91% | 0.912 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -169.6 | 145.3 | 146.8 | -102 | 0 | 0 | 0 | 0 | 109.9 | | |
| 36 | G | 39 | Very low | 39.8 | Very low | 79 Ų | 79 | 100.8 Ų | 100.8 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | | | trans | -64.1 | 137.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 37 | G | 35.6 | Very low | 40.2 | Very low | 80 Ų | 80 | 100.6 Ų | 100.6 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | | | trans | -81.3 | 116.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G39 | G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact O-N 3.15Å |
| 38 | C | 37.3 | Very low | 40.7 | Very low | 134 Ų | 134 | 102.2 Ų | 102.2 | 91% | 0.905 | 84% | 0.839 | S | S | * | * | | | trans | -77.5 | 86 | 157.1 | -61 | 0 | 0 | 0 | 0 | 108.4 | S40 | C38-S40 PolarHBondContact O-N 2.97Š|
| 39 | G | 40.4 | Very low | 41 | Very low | 73 Ų | 73 | 101.5 Ų | 101.5 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | | | trans | -68.3 | 113.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G37 | G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact O-N 3.15Å |
| 40 | S | 41.9 | Very low | 41.2 | Very low | 123 Ų | 123 | 102.8 Ų | 102.8 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | | | trans | -155.1 | 105.1 | 158.9 | -79.5 | 0 | 0 | 0 | 0 | 108.1 | C38 | C38-S40 PolarHBondContact O-N 2.97Š|
| 41 | G | 45 | Very low | 41.5 | Very low | 81 Ų | 81 | 105.8 Ų | 105.8 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | | | trans | -73.2 | 141 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 42 | C | 37.2 | Very low | 41.7 | Very low | 131 Ų | 131 | 104.8 Ų | 104.8 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | | | trans | -135.8 | 141.6 | 151.4 | -78.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 43 | G | 42 | Very low | 41.9 | Very low | 80 Ų | 80 | 107.9 Ų | 107.9 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -60.2 | 150.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 44 | G | 41.4 | Very low | 41.8 | Very low | 80 Ų | 80 | 107.1 Ų | 107.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -70.9 | 159.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 45 | C | 39.5 | Very low | 41.3 | Very low | 129 Ų | 129 | 108.6 Ų | 108.6 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | | | trans | -112.9 | 135.9 | 154.5 | -65.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 46 | G | 41.4 | Very low | 41.3 | Very low | 64 Ų | 64 | 108.4 Ų | 108.4 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | | | trans | -64.2 | 147.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | S48 | G46-S48 PolarHBondContact O-N 3.13Š|
| 47 | S | 51.5 | Low | 40.9 | Very low | 128 Ų | 128 | 113 Ų | 113 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -72.5 | 27.4 | -169.7 | -42.1 | 0 | 0 | 0 | 0 | 116 | | |
| 48 | S | 50.4 | Low | 41.3 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -98.8 | -0.2 | -167.2 | 45.7 | 0 | 0 | 0 | 0 | 116.3 | G46 | G46-S48 PolarHBondContact O-N 3.13Š|
| 49 | C | 41.8 | Very low | 41.3 | Very low | 122 Ų | 122 | 114.2 Ų | 114.2 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -121.3 | 9.3 | -178.4 | -66.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 50 | C | 42.6 | Very low | 41.2 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | -128.3 | 94 | -178.2 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 51 | V | 46.1 | Very low | 40.9 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -76.1 | 123.6 | 163.5 | -167.2 | 0 | 0 | 0 | 0 | 107.7 | I53 | V51-I53 PolarHBondContact O-N 2.95Å; V51-I53 VanDerWaalsContact O-N 3.1Å |
| 52 | P | 39.5 | Very low | 40.6 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -78.2 | 99.7 | -177.8 | 30.4 | -33.3 | 0 | 0 | 0 | 110.5 | | |
| 53 | I | 41.8 | Very low | 40.7 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -86.5 | 114.3 | 161.6 | -64.2 | -178.6 | 0 | 0 | 0 | 108 | V51 C55 | V51-I53 PolarHBondContact O-N 2.95Å; V51-I53 VanDerWaalsContact O-N 3.1Å; I53-C55 PolarHBondContact O-N 2.98Å |
| 54 | C | 41.6 | Very low | 40.5 | Very low | 124 Ų | 124 | 119.2 Ų | 119.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -66.9 | 101 | 176 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 55 | C | 34.7 | Very low | 40.4 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 68% | 0.676 | 78% | 0.779 | S | S | * | * | | | trans | -123.4 | 101.2 | 173.7 | -80.3 | 0 | 0 | 0 | 0 | 113.1 | I53 K57 | I53-C55 PolarHBondContact O-N 2.98Å; C55-K57 PolarHBondContact O-N 3.29Å |
| 56 | C | 36.3 | Very low | 40.1 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -40 | 23.2 | 165.3 | 62.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 57 | K | 30.9 | Very low | 40.2 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -163.9 | 143.9 | 176.1 | -128.3 | 74.3 | 152.4 | 63.6 | 0 | 111.2 | C55 V59 | C55-K57 PolarHBondContact O-N 3.29Å; K57-V59 PolarHBondContact O-N 3.02Å; K57-V59 VanDerWaalsContact O-N 3.13Å |
| 58 | P | 43.1 | Very low | 39.3 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -88.8 | 79.2 | -173.5 | 35.6 | -35 | 0 | 0 | 0 | 112.8 | | |
| 59 | V | 39 | Very low | 39.1 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | -140.9 | 76.2 | 164.9 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | K57 C61 | K57-V59 PolarHBondContact O-N 3.02Å; K57-V59 VanDerWaalsContact O-N 3.13Å; V59-C61 PolarHBondContact O-N 3.18Å |
| 60 | C | 38.1 | Very low | 39.3 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -83.8 | 92.3 | 167.8 | -67.7 | 0 | 0 | 0 | 0 | 109.6 | C62 | C60-C62 VanDerWaalsContact C-N 3.26Å; C60-C62 PolarHBondContact O-N 3.17Å |
| 61 | C | 34.1 | Very low | 39.1 | Very low | 108 Ų | 108 | 121 Ų | 121 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | | | trans | -70.9 | 83.5 | 165.4 | -68.1 | 0 | 0 | 0 | 0 | 109.6 | V59 V63 | V59-C61 PolarHBondContact O-N 3.18Å; C61-V63 PolarHBondContact O-N 2.98Å |
| 62 | C | 39.5 | Very low | 38.8 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -69.6 | 95 | 172.8 | -65.6 | 0 | 0 | 0 | 0 | 110.1 | C60 P64 | C60-C62 VanDerWaalsContact C-N 3.26Å; C60-C62 PolarHBondContact O-N 3.17Å; C62-P64 WeakPolarHBondContact O-CD 3.37Å |
| 63 | V | 39.4 | Very low | 38.7 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -74.7 | 122.8 | 162.5 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | C61 A65 | C61-V63 PolarHBondContact O-N 2.98Å; V63-A65 PolarHBondContact O-N 2.92Å |
| 64 | P | 37.1 | Very low | 38.5 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | trans | -75.1 | 99.5 | 175.5 | -10.2 | 26.7 | 0 | 0 | 0 | 109.9 | C62 | C62-P64 WeakPolarHBondContact O-CD 3.37Š|
| 65 | A | 39.8 | Very low | 38.4 | Very low | 87 Ų | 87 | 115.2 Ų | 115.2 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -82.2 | 146.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V63 | V63-A65 PolarHBondContact O-N 2.92Š|
| 66 | C | 34.1 | Very low | 38.4 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 78.4 | 111.3 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 116.8 | C68 | C66-C68 PolarHBondContact O-N 2.87Š|
| 67 | S | 43 | Very low | 38.7 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -67.8 | 100.9 | 169.2 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 68 | C | 33.4 | Very low | 39.3 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | | | trans | -104.8 | 86.5 | 169.2 | -66.8 | 0 | 0 | 0 | 0 | 110.4 | C66 S70 | C66-C68 PolarHBondContact O-N 2.87Å; C68-S70 PolarHBondContact O-N 2.85Å |
| 69 | S | 45.8 | Very low | 39 | Very low | 113 Ų | 113 | 113.2 Ų | 113.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -54.9 | 135.9 | 157.9 | -57.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 70 | S | 46 | Very low | 38.7 | Very low | 126 Ų | 126 | 111.1 Ų | 111.1 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | | | trans | 77 | 68.6 | -178.2 | -44.8 | 0 | 0 | 0 | 0 | 115.8 | C68 | C68-S70 PolarHBondContact O-N 2.85Š|
| 71 | C | 38.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -125.6 | 117.3 | 149.1 | -136.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 72 | G | 38.6 | Very low | 38.9 | Very low | 65 Ų | 65 | 114.5 Ų | 114.5 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | | | trans | -69.2 | 149.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C74 | G72-C74 PolarHBondContact O-N 3.06Š|
| 73 | S | 37.9 | Very low | 39.1 | Very low | 128 Ų | 128 | 115.4 Ų | 115.4 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -55.7 | 105.3 | -173.8 | -49.2 | 0 | 0 | 0 | 0 | 113 | G75 | S73-G75 PolarHBondContact O-N 2.97Š|
| 74 | C | 37.3 | Very low | 38.9 | Very low | 122 Ų | 122 | 115.3 Ų | 115.3 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | -61.1 | 126 | 164 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | G72 G76 | G72-C74 PolarHBondContact O-N 3.06Å; C74-G76 PolarHBondContact O-N 3.46Å; C74-G76 VanDerWaalsContact O-N 3.13Å |
| 75 | G | 39.3 | Very low | 39 | Very low | 78 Ų | 78 | 113.1 Ų | 113.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -63.5 | 113.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S73 S77 | S73-G75 PolarHBondContact O-N 2.97Å; G75-S77 PolarHBondContact O-N 3.39Å |
| 76 | G | 35.2 | Very low | 39 | Very low | 78 Ų | 78 | 112.5 Ų | 112.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -68.3 | 122.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | C74 | C74-G76 PolarHBondContact O-N 3.46Å; C74-G76 VanDerWaalsContact O-N 3.13Å |
| 77 | S | 42.1 | Very low | 39.4 | Very low | 115 Ų | 115 | 113 Ų | 113 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -58 | 150 | 172.5 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | G75 G79 | G75-S77 PolarHBondContact O-N 3.39Å; S77-G79 PolarHBondContact O-N 2.93Å |
| 78 | K | 45.1 | Very low | 39.6 | Very low | 221 Ų | 221 | 117.5 Ų | 117.5 | 96% | 0.961 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -64.3 | 115.4 | 173.2 | -71.7 | 177.3 | 177.5 | 174.6 | 0 | 110.9 | | |
| 79 | G | 35.8 | Very low | 39.9 | Very low | 78 Ų | 78 | 116.1 Ų | 116.1 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 153.8 | 135.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S77 | S77-G79 PolarHBondContact O-N 2.93Š|
| 80 | G | 32.5 | Very low | 39.5 | Very low | 69 Ų | 69 | 114 Ų | 114 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | 105.8 | 110.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 81 | Y | 43.7 | Very low | 38.8 | Very low | 234 Ų | 234 | 114.5 Ų | 114.5 | 92% | 0.918 | 82% | 0.82 | S | S | * | * | | | trans | -70 | 131.4 | 167.1 | 12.5 | -97.5 | 0 | 0 | 0 | 110 | | |
| 82 | G | 32.8 | Very low | 38.9 | Very low | 64 Ų | 64 | 115.1 Ų | 115.1 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | | | trans | -160.7 | 92.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C84 | G82-C84 VanDerWaalsContact C-N 3.29Å; G82-C84 PolarHBondContact O-N 2.74Å |
| 83 | S | 43.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | | | trans | -74.4 | 81 | 172.4 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | G85 | S83-G85 PolarHBondContact O-N 3.07Š|
| 84 | C | 34.6 | Very low | 39.1 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 86% | 0.858 | 82% | 0.823 | S | S | * | * | | | trans | -80.6 | 108.1 | 169.5 | -68 | 0 | 0 | 0 | 0 | 109.5 | G82 | G82-C84 VanDerWaalsContact C-N 3.29Å; G82-C84 PolarHBondContact O-N 2.74Å |
| 85 | G | 40.3 | Very low | 39.4 | Very low | 78 Ų | 78 | 115.1 Ų | 115.1 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -68.6 | 134.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S83 | S83-G85 PolarHBondContact O-N 3.07Š|
| 86 | G | 40.5 | Very low | 39.1 | Very low | 73 Ų | 73 | 115.1 Ų | 115.1 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | trans | 55.6 | 108.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 87 | S | 42.3 | Very low | 39.5 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | -145.9 | 138.9 | 140.6 | -83.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 88 | K | 47.5 | Very low | 39.7 | Very low | 221 Ų | 221 | 122.2 Ų | 122.2 | 96% | 0.961 | 83% | 0.831 | S | S | * | * | | | trans | -77.5 | 121.9 | -177.7 | -63.9 | 171.3 | -179.8 | 172.8 | 0 | 109.2 | | |
| 89 | G | 38.1 | Very low | 39.3 | Very low | 75 Ų | 75 | 115.2 Ų | 115.2 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | 164.8 | 132.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 90 | G | 37.5 | Very low | 39.4 | Very low | 69 Ų | 69 | 115.2 Ų | 115.2 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | trans | 73.4 | 114.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | V92 | G90-V92 PolarHBondContact O-N 2.93Å; G90-V92 VanDerWaalsContact O-N 3.14Å |
| 91 | C | 32.8 | Very low | 39.4 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | | | trans | -68.9 | 105.9 | 159.2 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 92 | V | 39.8 | Very low | 39 | Very low | 127 Ų | 127 | 110.3 Ų | 110.3 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | trans | -92.5 | 113.4 | 165.5 | -136.7 | 0 | 0 | 0 | 0 | 107.9 | G90 C94 | G90-V92 PolarHBondContact O-N 2.93Å; G90-V92 VanDerWaalsContact O-N 3.14Å; V92-C94 VanDerWaalsContact C-N 3.3Å; V92-C94 PolarHBondContact O-N 2.98Å |
| 93 | S | 41.6 | Very low | 39.4 | Very low | 124 Ų | 124 | 113.5 Ų | 113.5 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | | | trans | -71.3 | 84.2 | 176.6 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | G95 | S93-G95 PolarHBondContact O-N 3.08Š|
| 94 | C | 37.9 | Very low | 39.2 | Very low | 114 Ų | 114 | 113.2 Ų | 113.2 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | | | trans | -75.9 | 110 | 170 | -66.9 | 0 | 0 | 0 | 0 | 109.8 | V92 G96 | V92-C94 VanDerWaalsContact C-N 3.3Å; V92-C94 PolarHBondContact O-N 2.98Å; C94-G96 PolarHBondContact O-N 2.96Å |
| 95 | G | 43.6 | Very low | 39.9 | Very low | 78 Ų | 78 | 111.3 Ų | 111.3 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -62.5 | 99.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S93 S97 | S93-G95 PolarHBondContact O-N 3.08Å; G95-S97 PolarHBondContact O-N 3.38Å |
| 96 | G | 34.8 | Very low | 39.7 | Very low | 77 Ų | 77 | 111 Ų | 111 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | | | trans | -74 | 106.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | C94 | C94-G96 PolarHBondContact O-N 2.96Š|
| 97 | S | 43 | Very low | 40.2 | Very low | 121 Ų | 121 | 113.2 Ų | 113.2 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | | | trans | -72.6 | 125.2 | 160.9 | -73.1 | 0 | 0 | 0 | 0 | 110.2 | G95 G99 | G95-S97 PolarHBondContact O-N 3.38Å; S97-G99 PolarHBondContact O-N 3.36Å |
| 98 | K | 46.7 | Very low | 40.3 | Very low | 221 Ų | 221 | 117.5 Ų | 117.5 | 96% | 0.961 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -10.8 | 113.7 | 176.1 | -63.3 | 175.5 | 179.5 | 176.6 | 0 | 116.7 | | |
| 99 | G | 35.3 | Very low | 39.9 | Very low | 75 Ų | 75 | 111 Ų | 111 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | 179.3 | 124.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S97 | S97-G99 PolarHBondContact O-N 3.36Š|
| 100 | G | 37.9 | Very low | 39.9 | Very low | 77 Ų | 77 | 111.2 Ų | 111.2 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | | | trans | 59.2 | 115.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | G102 | G100-G102 PolarHBondContact O-N 3.38Å; G100-G102 VanDerWaalsContact O-N 3.08Å |
| 101 | C | 33.2 | Very low | 39.9 | Very low | 139 Ų | 139 | 114.3 Ų | 114.3 | 94% | 0.939 | 84% | 0.841 | S | S | * | * | | | trans | -70.6 | 98 | 164 | 40.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 102 | G | 36.3 | Very low | 40.1 | Very low | 62 Ų | 62 | 110.9 Ų | 110.9 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | | | trans | -90.3 | 119.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G100 C104 | G100-G102 PolarHBondContact O-N 3.38Å; G100-G102 VanDerWaalsContact O-N 3.08Å; G102-C104 PolarHBondContact O-N 3.29Å |
| 103 | S | 41 | Very low | 40.2 | Very low | 130 Ų | 130 | 110.7 Ų | 110.7 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | | | trans | -73 | 88.5 | 179.5 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | G105 | S103-G105 PolarHBondContact O-N 3.17Š|
| 104 | C | 39.6 | Very low | 40.2 | Very low | 127 Ų | 127 | 110.8 Ų | 110.8 | 86% | 0.858 | 83% | 0.832 | S | S | * | * | | | trans | -75.1 | 92.9 | 172.6 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | G102 G106 | G102-C104 PolarHBondContact O-N 3.29Å; C104-G106 VanDerWaalsContact C-N 3.34Å; C104-G106 PolarHBondContact O-N 3.47Å |
| 105 | G | 47.6 | Very low | 40.7 | Very low | 88 Ų | 88 | 109.5 Ų | 109.5 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | | | trans | -68 | 85.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.7 | S103 | S103-G105 PolarHBondContact O-N 3.17Š|
| 106 | G | 36.6 | Very low | 40.4 | Very low | 72 Ų | 72 | 108.7 Ų | 108.7 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | | | trans | -124.5 | 110.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | C104 | C104-G106 VanDerWaalsContact C-N 3.34Å; C104-G106 PolarHBondContact O-N 3.47Å |
| 107 | S | 51.7 | Low | 41.1 | Very low | 119 Ų | 119 | 111.1 Ų | 111.1 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | | | trans | -89.6 | 136.5 | 172.2 | -67 | 0 | 0 | 0 | 0 | 111.1 | | |
| 108 | K | 44.3 | Very low | 41 | Very low | 215 Ų | 215 | 115 Ų | 115 | 94% | 0.935 | 84% | 0.836 | S | S | * | * | S | Bend | trans | 85.6 | 114.5 | 172.8 | -52.8 | 176.5 | 179.1 | -179.6 | 0 | 117 | | |
| 109 | G | 39.3 | Very low | 40.7 | Very low | 83 Ų | 83 | 108.8 Ų | 108.8 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | | | trans | 118.6 | 123.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 110 | G | 38.3 | Very low | 40.9 | Very low | 80 Ų | 80 | 108.7 Ų | 108.7 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | 95.7 | 109.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G112 | G110-G112 PolarHBondContact O-N 2.7Å; G110-G112 VanDerWaalsContact O-N 3.17Å |
| 111 | C | 36.4 | Very low | 41.1 | Very low | 134 Ų | 134 | 111.4 Ų | 111.4 | 91% | 0.905 | 84% | 0.839 | S | S | * | * | | | trans | -77.7 | 89.3 | 163.2 | 42.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 112 | G | 37.8 | Very low | 41.3 | Very low | 65 Ų | 65 | 107.7 Ų | 107.7 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | | | trans | -83.9 | 112.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G110 C114 | G110-G112 PolarHBondContact O-N 2.7Å; G110-G112 VanDerWaalsContact O-N 3.17Å; G112-C114 PolarHBondContact O-N 3.05Å |
| 113 | S | 42.3 | Very low | 41.7 | Very low | 124 Ų | 124 | 110 Ų | 110 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | | | trans | -69.7 | 97.6 | 177.2 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | G115 | S113-G115 PolarHBondContact O-N 3.47Š|
| 114 | C | 40.3 | Very low | 41.8 | Very low | 126 Ų | 126 | 110 Ų | 110 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | | | trans | -69.8 | 97.4 | 169.4 | -64.2 | 0 | 0 | 0 | 0 | 110.1 | G112 G116 | G112-C114 PolarHBondContact O-N 3.05Å; C114-G116 VanDerWaalsContact C-N 3.32Å; C114-G116 PolarHBondContact O-N 3.2Å |
| 115 | G | 48.5 | Very low | 42.1 | Very low | 86 Ų | 86 | 107.6 Ų | 107.6 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -65.5 | 88.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | S113 | S113-G115 PolarHBondContact O-N 3.47Š|
| 116 | G | 37.4 | Very low | 41.7 | Very low | 62 Ų | 62 | 106.8 Ų | 106.8 | 64% | 0.639 | 82% | 0.818 | S | S | * | * | | | trans | -135.4 | 71.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C114 K118 | C114-G116 VanDerWaalsContact C-N 3.32Å; C114-G116 PolarHBondContact O-N 3.2Å; G116-K118 PolarHBondContact O-N 2.93Å |
| 117 | S | 49 | Very low | 42.2 | Very low | 127 Ų | 127 | 109 Ų | 109 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -72.2 | 85.5 | 176.8 | -60 | 0 | 0 | 0 | 0 | 112 | | |
| 118 | K | 41.2 | Very low | 41.8 | Very low | 204 Ų | 204 | 113.3 Ų | 113.3 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -167.1 | 128.3 | 146.5 | -105 | 155 | -170 | -178 | 0 | 110.3 | G116 | G116-K118 PolarHBondContact O-N 2.93Š|
| 119 | G | 41.9 | Very low | 41.5 | Very low | 89 Ų | 89 | 107 Ų | 107 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | | | trans | -70.8 | 138 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 120 | G | 38.8 | Very low | 41.3 | Very low | 73 Ų | 73 | 106.9 Ų | 106.9 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | trans | -162.8 | 122.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | G122 | G120-G122 VanDerWaalsContact C-N 3.32Å; G120-G122 PolarHBondContact O-N 3.15Å |
| 121 | C | 41.2 | Very low | 41.1 | Very low | 134 Ų | 134 | 109.5 Ų | 109.5 | 91% | 0.905 | 82% | 0.824 | S | S | * | * | | | trans | -76.1 | 79.8 | -176.9 | 40.4 | 0 | 0 | 0 | 0 | 111.5 | S123 | C121-S123 PolarHBondContact O-N 3.13Š|
| 122 | G | 38.7 | Very low | 41.1 | Very low | 62 Ų | 62 | 106.3 Ų | 106.3 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | | | trans | -80.2 | 103.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | G120 C124 | G120-G122 VanDerWaalsContact C-N 3.32Å; G120-G122 PolarHBondContact O-N 3.15Å; G122-C124 PolarHBondContact O-N 2.79Å |
| 123 | S | 44.9 | Very low | 41.3 | Very low | 110 Ų | 110 | 108.9 Ų | 108.9 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | | | trans | -68.6 | 99.1 | 173.5 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | C121 G125 | C121-S123 PolarHBondContact O-N 3.13Å; S123-G125 PolarHBondContact O-N 3.46Å |
| 124 | C | 41.7 | Very low | 41 | Very low | 130 Ų | 130 | 109 Ų | 109 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | | | trans | -73.2 | 86.7 | 174.2 | -63 | 0 | 0 | 0 | 0 | 111 | G122 G126 | G122-C124 PolarHBondContact O-N 2.79Å; C124-G126 VanDerWaalsContact C-N 3.31Å; C124-G126 PolarHBondContact O-N 3.02Å |
| 125 | G | 46.9 | Very low | 40.8 | Very low | 76 Ų | 76 | 105.9 Ų | 105.9 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | -67.4 | 79.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S123 | S123-G125 PolarHBondContact O-N 3.46Š|
| 126 | G | 38.3 | Very low | 40.3 | Very low | 72 Ų | 72 | 107.6 Ų | 107.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -103.5 | 71.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C124 K128 | C124-G126 VanDerWaalsContact C-N 3.31Å; C124-G126 PolarHBondContact O-N 3.02Å; G126-K128 PolarHBondContact O-N 2.96Å |
| 127 | S | 48.1 | Very low | 40.9 | Very low | 118 Ų | 118 | 110.1 Ų | 110.1 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -70.1 | 90 | -171 | -55.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 128 | K | 42.9 | Very low | 40.3 | Very low | 210 Ų | 210 | 111.9 Ų | 111.9 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -145.7 | 89.3 | 150.9 | -73.7 | -159 | 177.4 | -177.8 | 0 | 112.6 | G126 | G126-K128 PolarHBondContact O-N 2.96Š|
| 129 | G | 38.2 | Very low | 39.7 | Very low | 83 Ų | 83 | 108.5 Ų | 108.5 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 103.7 | 119.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 130 | G | 33.7 | Very low | 39.9 | Very low | 80 Ų | 80 | 108.6 Ų | 108.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 101.8 | 124.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G132 | G130-G132 PolarHBondContact O-N 3.02Š|
| 131 | C | 34.9 | Very low | 39.9 | Very low | 135 Ų | 135 | 110.4 Ų | 110.4 | 91% | 0.912 | 80% | 0.797 | S | S | * | * | | | trans | -71.4 | 109.5 | -179.7 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 132 | G | 36.9 | Very low | 39.6 | Very low | 67 Ų | 67 | 110.4 Ų | 110.4 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | -109.1 | 108.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G130 C134 | G130-G132 PolarHBondContact O-N 3.02Å; G132-C134 PolarHBondContact O-N 3.04Å; G132-C134 VanDerWaalsContact O-N 3.11Å |
| 133 | S | 41.6 | Very low | 39.5 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -71.8 | 102.7 | -173 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | G135 | S133-G135 PolarHBondContact O-N 2.89Š|
| 134 | C | 36.1 | Very low | 38.8 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -74.5 | 74.6 | 157.5 | -80.8 | 0 | 0 | 0 | 0 | 109.9 | G132 | G132-C134 PolarHBondContact O-N 3.04Å; G132-C134 VanDerWaalsContact O-N 3.11Å |
| 135 | G | 36.8 | Very low | 38.5 | Very low | 61 Ų | 61 | 112.8 Ų | 112.8 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | | | trans | -91.5 | 122.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S133 | S133-G135 PolarHBondContact O-N 2.89Š|
| 136 | C | 38.1 | Very low | 37.9 | Very low | 122 Ų | 122 | 115.2 Ų | 115.2 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -68.7 | 153.5 | 175.2 | -60 | 0 | 0 | 0 | 0 | 111 | | |
| 137 | S | 49.8 | Very low | 37.7 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 67.7 | 94.7 | 173.3 | -53.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 138 | Q | 35.3 | Very low | 37.1 | Very low | 164 Ų | 164 | 120.4 Ų | 120.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | 81.7 | 105.1 | -175.6 | -51.1 | -165.3 | 20.7 | 0 | 0 | 115.7 | S140 | Q138-S140 PolarHBondContact O-N 3.27Å; Q138-S140 VanDerWaalsContact O-N 3.13Å |
| 139 | C | 28 | Very low | 37 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 89% | 0.892 | 78% | 0.782 | S | S | * | * | | | trans | -83.6 | 69.5 | 155.3 | -152.8 | 0 | 0 | 0 | 0 | 108.6 | C141 | C139-C141 PolarHBondContact O-N 2.95Š|
| 140 | S | 47.8 | Very low | 37.3 | Very low | 91 Ų | 91 | 116.1 Ų | 116.1 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | -77.1 | 64.7 | -179.3 | 27 | 0 | 0 | 0 | 0 | 111.6 | Q138 | Q138-S140 PolarHBondContact O-N 3.27Å; Q138-S140 VanDerWaalsContact O-N 3.13Å |
| 141 | C | 37.9 | Very low | 37.5 | Very low | 112 Ų | 112 | 119 Ų | 119 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -125.1 | 91.5 | 159 | -72.7 | 0 | 0 | 0 | 0 | 109.2 | C139 | C139-C141 PolarHBondContact O-N 2.95Š|
| 142 | C | 35 | Very low | 37.4 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 90% | 0.899 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 72 | 41.3 | 166.1 | -54.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 143 | K | 36.4 | Very low | 37.8 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 73% | 0.726 | 78% | 0.784 | S | S | * | * | | | trans | -150.8 | 93.2 | 141.8 | -154.9 | 173.2 | -175.9 | 74.8 | 0 | 115.1 | | |
| 144 | P | 31.4 | Very low | 38 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | | -73.1 | 129.1 | 105.7 | 32.8 | -25 | 0 | 0 | 0 | 107.5 | | |
| 145 | C | 33.6 | Very low | 38.1 | Very low | 85 Ų | 85 | 118.6 Ų | 118.6 | 57% | 0.574 | 79% | 0.786 | S | S | * | * | | | | 45 | 62.5 | 52.3 | -61.6 | 0 | 0 | 0 | 0 | 109.5 | F147 | C145-F147 PolarHBondContact O-N 2.98Š|
| 146 | C | 34.9 | Very low | 38.3 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 86% | 0.858 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -65.2 | 61 | 163.5 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 147 | F | 34.9 | Very low | 38.1 | Very low | 192 Ų | 192 | 124.6 Ų | 124.6 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | trans | -148.7 | 50.1 | -179.3 | -123.7 | -74.2 | 0 | 0 | 0 | 110.6 | C145 | C145-F147 PolarHBondContact O-N 2.98Š|
| 148 | S | 34.1 | Very low | 37.2 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | S | Bend | | -177.4 | 147.4 | 129.2 | -82.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 149 | S | 41.1 | Very low | 37.3 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 67.9 | 77.4 | 161.4 | -48.5 | 0 | 0 | 0 | 0 | 118 | | |
| 150 | G | 45.5 | Very low | 37.8 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | 63.1 | 75.2 | 134.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 151 | C | 37 | Very low | 37.1 | Very low | 139 Ų | 139 | 123 Ų | 123 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | | | trans | -99.1 | 104.2 | 143.6 | -90.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 152 | G | 33.9 | Very low | 36.8 | Very low | 69 Ų | 69 | 127 Ų | 127 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -68.5 | 152.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 153 | S | 45.7 | Very low | 36.8 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 32.2 | 125 | 153.8 | -51.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 154 | S | 43.9 | Very low | 36.6 | Very low | 129 Ų | 129 | 123 Ų | 123 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 89.8 | 56.5 | 167.3 | 76.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 155 | C | 39.1 | Very low | 36.9 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -140.8 | -34.6 | 160.8 | -172.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 156 | C | 42 | Very low | 37 | Very low | 122 Ų | 122 | 125 Ų | 125 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -130.4 | 46.6 | -171.3 | -67.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 157 | Q | 33.1 | Very low | 36.7 | Very low | 188 Ų | 188 | 127.7 Ų | 127.7 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -132 | 120.6 | 152.2 | -76.2 | -166.8 | -20 | 0 | 0 | 106.1 | | |
| 158 | S | 30.2 | Very low | 36.4 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | S | Bend | cis | -145.5 | 168.5 | 19.3 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 159 | S | 38.4 | Very low | 37 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 83.3 | 24.3 | 158.5 | -40.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 160 | C | 37.7 | Very low | 36.7 | Very low | 130 Ų | 130 | 122 Ų | 122 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | | | trans | -113.9 | 16.2 | 175.8 | -67.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 161 | C | 33.6 | Very low | 36.3 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | -132.2 | 121 | 161.3 | -73.7 | 0 | 0 | 0 | 0 | 105.4 | | |
| 162 | K | 30.3 | Very low | 36 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | S | Bend | cis | -162.4 | 173.4 | 28.2 | -102.1 | 179.2 | 174.1 | 178 | 0 | 108.5 | | |
| 163 | P | 37.1 | Very low | 36.3 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | S | Bend | cis | -136.8 | 104.7 | -22.9 | 33 | -12 | 0 | 0 | 0 | 112.3 | | |
| 164 | S | 31.1 | Very low | 35.6 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -132.5 | 34.1 | 162.7 | -59.6 | 0 | 0 | 0 | 0 | 112 | C166 | S164-C166 PolarHBondContact O-N 2.93Š|
| 165 | C | 36.9 | Very low | 35.1 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -74 | 29.2 | 162.4 | 40.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 166 | C | 36.7 | Very low | 35.2 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -127.8 | 122.1 | 171.3 | -73.1 | 0 | 0 | 0 | 0 | 107.5 | S164 | S164-C166 PolarHBondContact O-N 2.93Š|
| 167 | Q | 29.2 | Very low | 34.6 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | 66.6 | 125.5 | 171 | -62.7 | -168.1 | 0.1 | 0 | 0 | 116 | | |
| 168 | S | 28.1 | Very low | 34.8 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 56% | 0.559 | 79% | 0.79 | S | S | * | * | | | cis | -155.9 | -154 | 3.3 | -89.2 | 0 | 0 | 0 | 0 | 108.3 | C170 | S168-C170 PolarHBondContact O-N 3.14Š|
| 169 | S | 46.2 | Very low | 35.2 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 92% | 0.923 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -56.7 | 58.1 | 166.2 | -43.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 170 | C | 36 | Very low | 35.6 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 62% | 0.615 | 80% | 0.797 | S | S | * | * | | | trans | -129 | 80.1 | -156.3 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | S168 | S168-C170 PolarHBondContact O-N 3.14Š|
| 171 | C | 36.5 | Very low | 35.8 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 90% | 0.899 | 80% | 0.795 | S | S | * | * | | | trans | -161.3 | 59.7 | 148.7 | -111.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 172 | K | 29.8 | Very low | 35.7 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -85.4 | 123.7 | 165.1 | -152.4 | 175 | -174.2 | -176.6 | 0 | 107.1 | Y174 | K172-Y174 PolarHBondContact O-N 2.78Š|
| 173 | P | 41 | Very low | 36 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -83.1 | 114 | -159.6 | 30.6 | -35 | 0 | 0 | 0 | 112.2 | | |
| 174 | Y | 30.6 | Very low | 35.7 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -144.5 | 0.5 | 170.1 | -108.5 | -83.5 | 0 | 0 | 0 | 115.5 | K172 C176 | K172-Y174 PolarHBondContact O-N 2.78Å; Y174-C176 VanDerWaalsContact C-N 3.32Å; Y174-C176 PolarHBondContact O-N 3.13Å |
| 175 | C | 33.1 | Very low | 36.4 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 91% | 0.905 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 29.2 | -179.3 | -138.1 | 0 | 0 | 0 | 0 | 114 | | |
| 176 | C | 41.9 | Very low | 36.5 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | 32.7 | 171.4 | -64 | 0 | 0 | 0 | 0 | 112 | Y174 | Y174-C176 VanDerWaalsContact C-N 3.32Å; Y174-C176 PolarHBondContact O-N 3.13Å |
| 177 | Q | 30 | Very low | 36.5 | Very low | 143 Ų | 143 | 133 Ų | 133 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -104.9 | 106 | 164.1 | -86 | -163.5 | -38.6 | 0 | 0 | 111.4 | S179 | Q177-S179 PolarHBondContact O-N 2.88Š|
| 178 | S | 35.7 | Very low | 37.3 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 70.2 | 24 | 131 | -46.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 179 | S | 39.9 | Very low | 38.1 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | -122.6 | -15 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 116.8 | Q177 | Q177-S179 PolarHBondContact O-N 2.88Š|
| 180 | C | 45.8 | Very low | 37.9 | Very low | 130 Ų | 130 | 128 Ų | 128 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -95.8 | 4.2 | -171 | -63.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 181 | C | 41.9 | Very low | 37.9 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -131.2 | 78 | 177.1 | -67 | 0 | 0 | 0 | 0 | 111 | | |
| 182 | K | 31.9 | Very low | 38.6 | Very low | 200 Ų | 200 | 125.7 Ų | 125.7 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | | | trans | -145.5 | 83.2 | 167.1 | -141.7 | 177.1 | -169.7 | 179.6 | 0 | 111.4 | C184 | K182-C184 PolarHBondContact O-N 3.4Š|
| 183 | P | 37 | Very low | 39.3 | Very low | 121 Ų | 121 | 121 Ų | 121 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | -82.8 | 110.4 | 169.1 | 32.6 | -28.7 | 0 | 0 | 0 | 109 | | |
| 184 | C | 30.9 | Very low | 39.4 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -161 | 124.6 | 153.4 | -107.5 | 0 | 0 | 0 | 0 | 110.1 | K182 S186 | K182-C184 PolarHBondContact O-N 3.4Å; C184-S186 PolarHBondContact O-N 3.23Å; C184-S186 VanDerWaalsContact O-N 3.15Å |
| 185 | C | 45.8 | Very low | 40.4 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -53.7 | 117.3 | 157.1 | -59.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 186 | S | 38.7 | Very low | 40.7 | Very low | 104 Ų | 104 | 116.6 Ų | 116.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -151.4 | 115.5 | 174.2 | -78 | 0 | 0 | 0 | 0 | 109.3 | C184 | C184-S186 PolarHBondContact O-N 3.23Å; C184-S186 VanDerWaalsContact O-N 3.15Å |
| 187 | S | 37.5 | Very low | 40.9 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 68.7 | 106.6 | 179.7 | -120.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 188 | S | 45.7 | Very low | 41.7 | Very low | 122 Ų | 122 | 114 Ų | 114 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 66 | 74.9 | 137.5 | -49.7 | 0 | 0 | 0 | 0 | 118 | | |
| 189 | G | 44.9 | Very low | 42.2 | Very low | 75 Ų | 75 | 113.3 Ų | 113.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 178.3 | -4.6 | 171 | 0 | 0 | 0 | 0 | 0 | 118.4 | G191 | G189-G191 PolarHBondContact O-N 3.32Š|
| 190 | C | 40.2 | Very low | 42.2 | Very low | 93 Ų | 93 | 114.1 Ų | 114.1 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | | | trans | -72.7 | 79.1 | 173.6 | -86.6 | 0 | 0 | 0 | 0 | 111.5 | S192 | C190-S192 VanDerWaalsContact C-N 3.25Å; C190-S192 PolarHBondContact O-N 3.06Å |
| 191 | G | 36.4 | Very low | 41.7 | Very low | 54 Ų | 54 | 115.3 Ų | 115.3 | 56% | 0.557 | 76% | 0.759 | S | S | * | * | | | trans | -67.4 | 83.6 | 163 | 0 | 0 | 0 | 0 | 0 | 110.8 | G189 S193 | G189-G191 PolarHBondContact O-N 3.32Å; G191-S193 VanDerWaalsContact C-N 3.28Å; G191-S193 PolarHBondContact O-N 2.83Å; G191-S193 PolarHBondContact O-OG 3.05Å |
| 192 | S | 51.4 | Low | 41.6 | Very low | 121 Ų | 121 | 114 Ų | 114 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 51 | 5 | 145.4 | -48.5 | 0 | 0 | 0 | 0 | 122 | C190 | C190-S192 VanDerWaalsContact C-N 3.25Å; C190-S192 PolarHBondContact O-N 3.06Å |
| 193 | S | 44.4 | Very low | 41.5 | Very low | 103 Ų | 103 | 110.7 Ų | 110.7 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -153.6 | 0.4 | -178.2 | 46.7 | 0 | 0 | 0 | 0 | 118.6 | G191 | G191-S193 VanDerWaalsContact C-N 3.28Å; G191-S193 PolarHBondContact O-N 2.83Å; G191-S193 PolarHBondContact O-OG 3.05Å |
| 194 | C | 44.5 | Very low | 41.4 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -89.4 | -13.3 | 173.7 | 68.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 195 | C | 50.7 | Low | 42 | Very low | 106 Ų | 106 | 108.6 Ų | 108.6 | 72% | 0.716 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -118.3 | 28.1 | -179 | -65.9 | 0 | 0 | 0 | 0 | 113.3 | S197 | C195-S197 PolarHBondContact O-N 3.44Š|
| 196 | Q | 39.6 | Very low | 41.6 | Very low | 158 Ų | 158 | 107.8 Ų | 107.8 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -90.3 | 97.1 | 163.7 | -74.2 | -141.9 | -47.3 | 0 | 0 | 111.1 | S198 | Q196-S198 PolarHBondContact O-N 2.97Š|
| 197 | S | 45.5 | Very low | 41.4 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 76.4 | -20.7 | 140.1 | -48.2 | 0 | 0 | 0 | 0 | 121.5 | C195 | C195-S197 PolarHBondContact O-N 3.44Š|
| 198 | S | 47 | Very low | 42.2 | Very low | 105 Ų | 105 | 107.9 Ų | 107.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -136.3 | -0.3 | -171.3 | -58.2 | 0 | 0 | 0 | 0 | 118.1 | Q196 | Q196-S198 PolarHBondContact O-N 2.97Š|
| 199 | C | 46.2 | Very low | 42.2 | Very low | 104 Ų | 104 | 106.4 Ų | 106.4 | 70% | 0.703 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -137.8 | 112.4 | -174.8 | -48.5 | 0 | 0 | 0 | 0 | 110 | | |
| 200 | C | 39.4 | Very low | 41.8 | Very low | 124 Ų | 124 | 104.6 Ų | 104.6 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | | | cis | -141.3 | 106.4 | 1.6 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 201 | N | 36.4 | Very low | 41.4 | Very low | 156 Ų | 156 | 105.9 Ų | 105.9 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -100.2 | 159.9 | 158.1 | -128 | -4.6 | 0 | 0 | 0 | 107.9 | | |
| 202 | P | 38.5 | Very low | 41.7 | Very low | 97 Ų | 97 | 107.7 Ų | 107.7 | 63% | 0.63 | 69% | 0.693 | S | S | * | * | | | | -119.8 | 102.3 | -120.8 | 25.7 | -5 | 0 | 0 | 0 | 113 | C204 | P202-C204 PolarHBondContact O-N 3.33Š|
| 203 | C | 30.2 | Very low | 41 | Very low | 130 Ų | 130 | 107.7 Ų | 107.7 | 88% | 0.878 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 65.7 | 172.5 | -85.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 204 | C | 35.4 | Very low | 40.9 | Very low | 120 Ų | 120 | 108.5 Ų | 108.5 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.9 | 0.5 | 164.1 | -121.5 | 0 | 0 | 0 | 0 | 115.9 | P202 Q206 | P202-C204 PolarHBondContact O-N 3.33Å; C204-Q206 VanDerWaalsContact C-N 3.29Å |
| 205 | S | 44.4 | Very low | 40.6 | Very low | 67 Ų | 67 | 109 Ų | 109 | 47% | 0.469 | 70% | 0.695 | S | S | . | * | S | Bend | | -72.9 | 96.8 | 116.8 | -56.1 | 0 | 0 | 0 | 0 | 103.9 | C210 | S205-C210 WeakPolarHBondContact O-CB 3.4Š|
| 206 | Q | 36.5 | Very low | 39.6 | Very low | 107 Ų | 107 | 112.3 Ų | 112.3 | 50% | 0.5 | 70% | 0.7 | S | S | . | * | | | | -147.4 | 92.4 | 79.8 | 175.1 | 140.2 | 65.8 | 0 | 0 | 114.6 | C204 S208 C210 | C204-Q206 VanDerWaalsContact C-N 3.29Å; Q206-S208 WeakPolarHBondContact CG-O 3.12Å; Q206-S208 PolarHBondContact NE2-O 3.15Å; Q206-C210 HydrophobicContact CB-CB 3.74Å; Q206-C210 VanDerWaalsContact CD-C 3.45Å; Q206-C210 PolarHBondContact NE2-O 3.1Å; Q206-C210 PolarHBondContact OE1-O 3.5Å |
| 207 | S | 34 | Very low | 39.2 | Very low | 115 Ų | 115 | 110.7 Ų | 110.7 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -142.9 | 81.6 | 154.6 | -84.8 | 0 | 0 | 0 | 0 | 111.2 | C209 | S207-C209 VanDerWaalsContact C-N 3.32Å; S207-C209 VanDerWaalsContact N-N 3.17Å |
| 208 | S | 54.7 | Low | 38.4 | Very low | 104 Ų | 104 | 114.5 Ų | 114.5 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | S | Bend | cis | -89.1 | 12.2 | -4.7 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | Q206 C210 | Q206-S208 WeakPolarHBondContact CG-O 3.12Å; Q206-S208 PolarHBondContact NE2-O 3.15Å; S208-C210 PolarHBondContact O-N 3.23Å |
| 209 | C | 45 | Very low | 38 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | | | trans | -78.7 | 15.1 | -147 | -47.7 | 0 | 0 | 0 | 0 | 121.3 | S207 | S207-C209 VanDerWaalsContact C-N 3.32Å; S207-C209 VanDerWaalsContact N-N 3.17Å |
| 210 | C | 36.9 | Very low | 37.6 | Very low | 37 Ų | 37 | 121.8 Ų | 121.8 | 25% | 0.25 | 73% | 0.731 | C | S | . | * | | | trans | -137 | 77.9 | 176.7 | -150.5 | 0 | 0 | 0 | 0 | 114.5 | S205 Q206 S208 P212 | S205-C210 WeakPolarHBondContact O-CB 3.4Å; Q206-C210 HydrophobicContact CB-CB 3.74Å; Q206-C210 VanDerWaalsContact CD-C 3.45Å; Q206-C210 PolarHBondContact NE2-O 3.1Å; Q206-C210 PolarHBondContact OE1-O 3.5Å; S208-C210 PolarHBondContact O-N 3.23Å; C210-P212 WeakPolarHBondContact O-CD 3.47Å |
| 211 | V | 32.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | | | trans | -73 | 115.7 | 138.3 | 178.7 | 0 | 0 | 0 | 0 | 105.4 | V213 | V211-V213 PolarHBondContact O-N 3.19Å; V211-V213 VanDerWaalsContact O-N 3.1Å |
| 212 | P | 41.9 | Very low | 37.5 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | | | trans | -78.7 | 99.8 | -174.7 | 30.8 | -32.9 | 0 | 0 | 0 | 109.5 | C210 C214 | C210-P212 WeakPolarHBondContact O-CD 3.47Å; P212-C214 VanDerWaalsContact C-N 3.25Å; P212-C214 PolarHBondContact O-N 3.2Å |
| 213 | V | 36.5 | Very low | 37.5 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | | | trans | -78.8 | 84.6 | 164.9 | -179 | 0 | 0 | 0 | 0 | 108 | V211 C215 | V211-V213 PolarHBondContact O-N 3.19Å; V211-V213 VanDerWaalsContact O-N 3.1Å; V213-C215 HydrophobicContact CG1-CB 4.34Å; V213-C215 PolarHBondContact O-N 2.87Å |
| 214 | C | 43.2 | Very low | 37.9 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -62.1 | 97.5 | 165.4 | -76.5 | 0 | 0 | 0 | 0 | 109.8 | P212 | P212-C214 VanDerWaalsContact C-N 3.25Å; P212-C214 PolarHBondContact O-N 3.2Å |
| 215 | C | 37.6 | Very low | 38.1 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | | | trans | -144 | 129.3 | 167.8 | -82.9 | 0 | 0 | 0 | 0 | 110.2 | V213 | V213-C215 HydrophobicContact CG1-CB 4.34Å; V213-C215 PolarHBondContact O-N 2.87Å |
| 216 | Q | 29.8 | Very low | 37.7 | Very low | 176 Ų | 176 | 124.4 Ų | 124.4 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | | | cis | -147.3 | 152.7 | -24.3 | -85 | -160.5 | 12.9 | 0 | 0 | 107.3 | | |
| 217 | C | 32.4 | Very low | 37.8 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | trans | -61.4 | 150.9 | 173.6 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 218 | K | 27.8 | Very low | 38.1 | Very low | 196 Ų | 196 | 126.6 Ų | 126.6 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | | | trans | -158.5 | 114.1 | 142.5 | -117.4 | 163.3 | -173.8 | 168.6 | 0 | 112.6 | | |
| 219 | I | 38.8 | Very low | 36.6 | Very low | 240 Ų | 240 | 128.6 Ų | 128.6 | 100% | 1.231 | 74% | 0.74 | S | S | * | * | | | trans | 63.2 | 0 | 163.6 | -49 | 176.9 | 0 | 0 | 0 | 114.2 | | |