| 1 | M | 38.6 | Very low | 47.1 | Very low | 235 Ų | 235 | 146.7 Ų | 146.7 | 100% | 1.158 | 82% | 0.819 | S | S | * | * | | | | 0 | 137.6 | 0 | -152.6 | 167.9 | -175.6 | 0 | 0 | 106.5 | | |
| 2 | E | 44.3 | Very low | 47 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -52.9 | 161.4 | 174.2 | -57.6 | 122 | 144 | 0 | 0 | 110.3 | | |
| 3 | G | 45.8 | Very low | 47.1 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | | | cis | 177.3 | -167.7 | 22.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 4 | E | 48.7 | Very low | 46.5 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | | | trans | -71.3 | 176.1 | -167.6 | -47.1 | 178.4 | 109.3 | 0 | 0 | 115.5 | | |
| 5 | Q | 49.3 | Very low | 46.5 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | | | trans | 68.2 | 141.2 | 146.9 | -79.2 | 167.7 | 5.1 | 0 | 0 | 117.2 | | |
| 6 | G | 47 | Very low | 46.2 | Very low | 62 Ų | 62 | 131.7 Ų | 131.7 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | | | cis | 156.3 | 168.5 | 15.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 7 | E | 51.3 | Low | 46 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | | | trans | 65.9 | 152 | 155.6 | -68 | -170.8 | 147.6 | 0 | 0 | 117.1 | | |
| 8 | D | 49.1 | Very low | 45.7 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | | | cis | -167.1 | 147 | -5.1 | -103.1 | -22.7 | 0 | 0 | 0 | 106.7 | | |
| 9 | G | 51 | Low | 45.9 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | | | trans | -153.1 | 87.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 10 | K | 46.5 | Very low | 45.7 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | | | trans | -56.6 | 136.3 | -177.2 | -78.1 | 160.1 | 171.4 | 163.3 | 0 | 115 | | |
| 11 | T | 46.2 | Very low | 45.5 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | | | trans | 11.1 | 133.1 | 138.6 | -33.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 12 | A | 46 | Very low | 45.7 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | | | trans | -146.8 | 121.5 | 131.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 13 | A | 48.8 | Very low | 45.9 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -91.2 | 140.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 14 | G | 38.2 | Very low | 46.1 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | trans | -138.7 | 127.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 15 | P | 47.5 | Very low | 46.4 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | | | trans | -95.9 | 121.8 | -175.3 | 34.3 | -27.6 | 0 | 0 | 0 | 111.2 | | |
| 16 | G | 40.6 | Very low | 47 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | | | trans | -122.7 | 98.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 17 | R | 42.6 | Very low | 47.2 | Very low | 244 Ų | 244 | 142.5 Ų | 142.5 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | | | trans | -63.7 | 137.2 | 171.6 | -78.8 | 178.2 | 167.8 | -151.7 | -0.6 | 110.4 | | |
| 18 | S | 41.8 | Very low | 47.1 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | | | trans | -162.1 | 114.1 | 134.7 | -100.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 19 | T | 48.4 | Very low | 47.5 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | | | trans | -66.9 | 124 | 162 | 45.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 20 | S | 42.9 | Very low | 47.3 | Very low | 119 Ų | 119 | 146 Ų | 146 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | | | trans | -159.1 | 141.3 | 157.4 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 21 | G | 40 | Very low | 47.5 | Very low | 71 Ų | 71 | 140.8 Ų | 140.8 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | | | trans | 72.1 | 86.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 22 | C | 44.5 | Very low | 47.9 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 86% | 0.858 | 84% | 0.836 | S | S | * | * | | | | 47.8 | 96.6 | 73.9 | -158.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 23 | R | 47.1 | Very low | 48.4 | Very low | 239 Ų | 239 | 148.5 Ų | 148.5 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | | | | 171.4 | 83.7 | 126.8 | -93 | 177.4 | -173.2 | -136.9 | 3.2 | 108.2 | S25 | R23-S25 PolarHBondContact O-N 3.07Š|
| 24 | R | 50.5 | Low | 48.5 | Very low | 245 Ų | 245 | 154 Ų | 154 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | | | trans | -73.6 | 113 | 165.4 | -67.4 | -177.2 | -163.4 | 171.8 | 5.7 | 107 | R26 | R24-R26 PolarHBondContact O-N 3.36Š|
| 25 | S | 54.8 | Low | 49.4 | Very low | 115 Ų | 115 | 161.3 Ų | 161.3 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 122.7 | 166.6 | 38.2 | 0 | 0 | 0 | 0 | 108.8 | R23 | R23-S25 PolarHBondContact O-N 3.07Š|
| 26 | R | 62 | Low | 49.7 | Very low | 240 Ų | 240 | 162.8 Ų | 162.8 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 138.9 | 173.6 | -79.4 | -178.7 | 173.3 | -170.9 | -1.8 | 109.1 | R24 W28 | R24-R26 PolarHBondContact O-N 3.36Å; R26-W28 PolarHBondContact O-N 3.25Å |
| 27 | P | 51.8 | Low | 50.4 | Low | 122 Ų | 122 | 164 Ų | 164 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 127.1 | 165.8 | 26.9 | -29.3 | 0 | 0 | 0 | 109.1 | A29 | P27-A29 PolarHBondContact O-N 2.93Å; P27-A29 VanDerWaalsContact O-N 3.08Å |
| 28 | W | 49.9 | Very low | 51.2 | Low | 265 Ų | 265 | 156 Ų | 156 | 100% | 1.004 | 82% | 0.824 | S | S | * | * | | | trans | -62.4 | 107.9 | 169 | -109.7 | -34.2 | 0 | 0 | 0 | 108.4 | R26 | R26-W28 PolarHBondContact O-N 3.25Š|
| 29 | A | 56.4 | Low | 51.7 | Low | 76 Ų | 76 | 161.1 Ų | 161.1 | 63% | 0.628 | 83% | 0.825 | S | S | * | * | | | trans | -101.8 | 125.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | P27 A31 | P27-A29 PolarHBondContact O-N 2.93Å; P27-A29 VanDerWaalsContact O-N 3.08Å; A29-A31 PolarHBondContact O-N 2.92Å |
| 30 | P | 46 | Very low | 51.8 | Low | 123 Ų | 123 | 160.4 Ų | 160.4 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | | | trans | -73.4 | 87.8 | 163.5 | 30.2 | -28 | 0 | 0 | 0 | 106.5 | R32 | P30-R32 PolarHBondContact O-N 3.23Š|
| 31 | A | 52.5 | Low | 52.4 | Low | 90 Ų | 90 | 166 Ų | 166 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | | | trans | -65 | 107 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | A29 L33 | A29-A31 PolarHBondContact O-N 2.92Å; A31-L33 PolarHBondContact O-N 3.12Å; A31-L33 VanDerWaalsContact O-N 3.13Å |
| 32 | R | 53.5 | Low | 53.5 | Low | 233 Ų | 233 | 169.7 Ų | 169.7 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | | | trans | -47.8 | 115.2 | 178.4 | -59.3 | 170.1 | -153.9 | -102.8 | -1.1 | 108.9 | P30 R34 | P30-R32 PolarHBondContact O-N 3.23Å; R32-R34 PolarHBondContact O-N 3.14Å |
| 33 | L | 56.3 | Low | 53.8 | Low | 164 Ų | 164 | 169.8 Ų | 169.8 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | | | trans | -61.9 | 89.2 | 167.6 | -84.9 | 153 | 0 | 0 | 0 | 108.1 | A31 R35 | A31-L33 PolarHBondContact O-N 3.12Å; A31-L33 VanDerWaalsContact O-N 3.13Å; L33-R35 PolarHBondContact O-N 3.03Å |
| 34 | R | 52.3 | Low | 54.1 | Low | 215 Ų | 215 | 163.1 Ų | 163.1 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | | | trans | -67.4 | 84 | 166.5 | -117.5 | -169.6 | 165.7 | -138.8 | -2.2 | 107.2 | R32 Q36 | R32-R34 PolarHBondContact O-N 3.14Å; R34-Q36 VanDerWaalsContact C-N 3.3Å; R34-Q36 PolarHBondContact O-N 2.89Å |
| 35 | R | 56.6 | Low | 54.2 | Low | 227 Ų | 227 | 156 Ų | 156 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -69.3 | 94.4 | 162.9 | -80.7 | -175.2 | 176.8 | -112.5 | 1.8 | 107 | L33 S37 | L33-R35 PolarHBondContact O-N 3.03Å; R35-S37 PolarHBondContact O-N 3.23Å |
| 36 | Q | 54.1 | Low | 54 | Low | 165 Ų | 165 | 160.1 Ų | 160.1 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | | | trans | -67.3 | 91.7 | 160.7 | -76.6 | 178.7 | -35 | 0 | 0 | 107 | R34 G38 | R34-Q36 VanDerWaalsContact C-N 3.3Å; R34-Q36 PolarHBondContact O-N 2.89Å; Q36-G38 VanDerWaalsContact C-N 3.28Å; Q36-G38 PolarHBondContact O-N 3.23Å |
| 37 | S | 53.8 | Low | 53.1 | Low | 104 Ų | 104 | 154.1 Ų | 154.1 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | -71.4 | 91.5 | 166.4 | 57.4 | 0 | 0 | 0 | 0 | 107.7 | R35 R39 | R35-S37 PolarHBondContact O-N 3.23Å; S37-R39 PolarHBondContact O-N 3.08Å |
| 38 | G | 59.2 | Low | 52.9 | Low | 76 Ų | 76 | 153.2 Ų | 153.2 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | -66 | 85.2 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q36 | Q36-G38 VanDerWaalsContact C-N 3.28Å; Q36-G38 PolarHBondContact O-N 3.23Å |
| 39 | R | 52.6 | Low | 53 | Low | 226 Ų | 226 | 144.8 Ų | 144.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -94.9 | 99.8 | 161.2 | -81.5 | -172.4 | 175.3 | -178.6 | -1 | 107.3 | S37 R41 | S37-R39 PolarHBondContact O-N 3.08Å; R39-R41 PolarHBondContact O-N 3.28Å |
| 40 | V | 51.8 | Low | 53 | Low | 126 Ų | 126 | 147.1 Ų | 147.1 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | | | trans | -54.4 | 116.2 | 163.4 | 175.6 | 0 | 0 | 0 | 0 | 107 | L42 | V40-L42 PolarHBondContact O-N 3.02Š|
| 41 | R | 55.2 | Low | 53.6 | Low | 236 Ų | 236 | 150 Ų | 150 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | | | trans | -74.2 | 108.2 | 173.4 | -67.5 | 179.1 | 179 | 179.9 | -1.7 | 107.1 | R39 | R39-R41 PolarHBondContact O-N 3.28Š|
| 42 | L | 62.2 | Low | 54.1 | Low | 150 Ų | 150 | 151.3 Ų | 151.3 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -78.8 | 131.7 | 164 | -64.2 | 174.2 | 0 | 0 | 0 | 107.9 | V40 A44 | V40-L42 PolarHBondContact O-N 3.02Å; L42-A44 PolarHBondContact O-N 3.19Å; L42-A44 VanDerWaalsContact O-N 3.08Å |
| 43 | P | 51.3 | Low | 54.4 | Low | 128 Ų | 128 | 145.8 Ų | 145.8 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | | | trans | -71.9 | 102.1 | 170.4 | 28.3 | -29.5 | 0 | 0 | 0 | 108.2 | A45 | P43-A45 PolarHBondContact O-N 2.9Š|
| 44 | A | 53.5 | Low | 54.2 | Low | 99 Ų | 99 | 144.1 Ų | 144.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -72.4 | 110.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | L42 | L42-A44 PolarHBondContact O-N 3.19Å; L42-A44 VanDerWaalsContact O-N 3.08Å |
| 45 | A | 52.3 | Low | 54.2 | Low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -55.2 | 135.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P43 S47 | P43-A45 PolarHBondContact O-N 2.9Å; A45-S47 PolarHBondContact O-N 3.19Å |
| 46 | Q | 51.4 | Low | 54.1 | Low | 200 Ų | 200 | 134.1 Ų | 134.1 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | | | trans | -61.8 | 115.6 | 171.6 | -63.9 | 170.9 | 7.3 | 0 | 0 | 108.4 | | |
| 47 | S | 43.4 | Very low | 53.7 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -117.6 | 97.1 | 162.9 | -170.3 | 0 | 0 | 0 | 0 | 107.2 | A45 | A45-S47 PolarHBondContact O-N 3.19Š|
| 48 | A | 47.7 | Very low | 53.7 | Low | 104 Ų | 104 | 132.1 Ų | 132.1 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | -75.1 | 122.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 49 | A | 51 | Low | 53.6 | Low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | | | trans | -157.4 | 148.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 50 | P | 55.9 | Low | 54 | Low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -90 | 155.4 | -138.2 | 3.4 | 14.6 | 0 | 0 | 0 | 114 | | |
| 51 | E | 58.3 | Low | 54.3 | Low | 184 Ų | 184 | 132.1 Ų | 132.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.1 | 171.3 | -63.3 | -143.6 | 148.4 | 0 | 0 | 112.2 | | |
| 52 | P | 63.8 | Low | 54.4 | Low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 143.3 | 170 | 30.2 | -32.1 | 0 | 0 | 0 | 111.1 | | |
| 53 | P | 59.8 | Low | 53.9 | Low | 117 Ų | 117 | 126.2 Ų | 126.2 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 141.9 | -177.1 | 27.4 | -33.7 | 0 | 0 | 0 | 112.3 | T55 | P53-T55 VanDerWaalsContact O-N 3.14Å; P53-T55 PolarHBondContact O-N 3.42Å |
| 54 | S | 53 | Low | 54 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | -45.1 | 114.1 | 166.9 | -74.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 55 | T | 51.2 | Low | 54 | Low | 145 Ų | 145 | 125.3 Ų | 125.3 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | -95.2 | 119.5 | 167.5 | 5 | 0 | 0 | 0 | 0 | 109 | P53 | P53-T55 VanDerWaalsContact O-N 3.14Å; P53-T55 PolarHBondContact O-N 3.42Å |
| 56 | A | 54.1 | Low | 54.4 | Low | 87 Ų | 87 | 132.6 Ų | 132.6 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | | | trans | -67.8 | 148.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 57 | C | 46.7 | Very low | 54.5 | Low | 133 Ų | 133 | 128.6 Ų | 128.6 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | | | trans | 63.6 | 129.5 | 149.2 | -65.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 58 | A | 53.8 | Low | 55.2 | Low | 93 Ų | 93 | 127 Ų | 127 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 165 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 59 | P | 56 | Low | 55.4 | Low | 127 Ų | 127 | 125.3 Ų | 125.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 131.9 | 141.5 | 31.9 | -24.9 | 0 | 0 | 0 | 111.1 | | |
| 60 | E | 61.4 | Low | 55.8 | Low | 174 Ų | 174 | 126.2 Ų | 126.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143.1 | -179.9 | -72.4 | -160.8 | 139.8 | 0 | 0 | 114 | L62 | E60-L62 PolarHBondContact O-N 3.14Š|
| 61 | P | 57.6 | Low | 55.6 | Low | 128 Ų | 128 | 128.8 Ų | 128.8 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -75.1 | 115.9 | 160.1 | 29.6 | -29.1 | 0 | 0 | 0 | 109.8 | S63 | P61-S63 PolarHBondContact O-N 3.24Š|
| 62 | L | 58.4 | Low | 55.5 | Low | 159 Ų | 159 | 125.5 Ų | 125.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -51.3 | 111.8 | 171.6 | -69.3 | 164.6 | 0 | 0 | 0 | 111 | E60 | E60-L62 PolarHBondContact O-N 3.14Š|
| 63 | S | 50.9 | Low | 55.2 | Low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | 42.5 | 97.9 | 145.3 | 56.1 | 0 | 0 | 0 | 0 | 117.7 | P61 | P61-S63 PolarHBondContact O-N 3.24Š|
| 64 | A | 53 | Low | 55 | Low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | | | trans | -60.7 | 139.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111 | R66 | A64-R66 PolarHBondContact O-N 3.36Š|
| 65 | P | 53.8 | Low | 55 | Low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -66.3 | 121.4 | 166.1 | 26.5 | -30 | 0 | 0 | 0 | 109 | S67 | P65-S67 VanDerWaalsContact C-N 3.34Å; P65-S67 PolarHBondContact O-N 3.44Å |
| 66 | R | 60.3 | Low | 55 | Low | 250 Ų | 250 | 139.5 Ų | 139.5 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | | | trans | -64.5 | 87.3 | 172 | -71.6 | 176.2 | 172.6 | 173.1 | -2 | 109.8 | A64 G68 | A64-R66 PolarHBondContact O-N 3.36Å; R66-G68 PolarHBondContact O-N 2.98Å |
| 67 | S | 53.9 | Low | 54.7 | Low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -82 | 92.5 | 157.3 | 34.3 | 0 | 0 | 0 | 0 | 108 | P65 A69 | P65-S67 VanDerWaalsContact C-N 3.34Å; P65-S67 PolarHBondContact O-N 3.44Å; S67-A69 PolarHBondContact O-N 2.98Å; S67-A69 VanDerWaalsContact O-N 3.12Å |
| 68 | G | 58.2 | Low | 54.9 | Low | 82 Ų | 82 | 144.4 Ų | 144.4 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | -61.3 | 109.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R66 | R66-G68 PolarHBondContact O-N 2.98Š|
| 69 | A | 52.2 | Low | 54.8 | Low | 68 Ų | 68 | 145.9 Ų | 145.9 | 56% | 0.562 | 81% | 0.808 | S | S | * | * | | | trans | -129.8 | 109.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | S67 F71 | S67-A69 PolarHBondContact O-N 2.98Å; S67-A69 VanDerWaalsContact O-N 3.12Å; A69-F71 WeakPolarHBondContact O-CD2 3.4Å; A69-F71 PolarHBondContact O-N 2.86Å |
| 70 | A | 58.5 | Low | 54.8 | Low | 105 Ų | 105 | 143.7 Ų | 143.7 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | -62.7 | 99.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | P72 | A70-P72 WeakPolarHBondContact O-CD 3.38Š|
| 71 | F | 53.4 | Low | 54.7 | Low | 181 Ų | 181 | 143.1 Ų | 143.1 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -70.3 | 122 | 168 | -76.3 | -85.1 | 0 | 0 | 0 | 108.5 | A69 R73 | A69-F71 WeakPolarHBondContact O-CD2 3.4Å; A69-F71 PolarHBondContact O-N 2.86Å; F71-R73 PolarHBondContact O-N 3Å |
| 72 | P | 55.8 | Low | 54.3 | Low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | | | trans | -67 | 110.3 | 169.1 | 26.3 | -30 | 0 | 0 | 0 | 108.5 | A70 R74 | A70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-R74 VanDerWaalsContact C-N 3.28Å; P72-R74 PolarHBondContact O-N 3.13Å |
| 73 | R | 57.3 | Low | 54.3 | Low | 245 Ų | 245 | 138.6 Ų | 138.6 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -65.2 | 81.6 | 169.8 | -68 | 171.4 | 97.1 | 155.6 | 5.4 | 110.1 | F71 | F71-R73 PolarHBondContact O-N 3Š|
| 74 | R | 54.8 | Low | 54.8 | Low | 223 Ų | 223 | 141.1 Ų | 141.1 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -154.8 | 117.2 | 164.7 | -56.5 | -172.4 | 179.9 | -141 | -1.1 | 104.9 | P72 | P72-R74 VanDerWaalsContact C-N 3.28Å; P72-R74 PolarHBondContact O-N 3.13Å |
| 75 | L | 53 | Low | 55.3 | Low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | | | cis | -156.8 | 117.8 | 46.8 | -73.1 | 144 | 0 | 0 | 0 | 108.2 | | |
| 76 | L | 52.6 | Low | 55.6 | Low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -69.9 | 148.2 | 150.9 | -85.9 | 139.6 | 0 | 0 | 0 | 107.7 | | |
| 77 | W | 47.5 | Very low | 55.5 | Low | 216 Ų | 216 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | 75 | 82.9 | 176.2 | -77.1 | -49.1 | 0 | 0 | 0 | 117.6 | D79 | W77-D79 VanDerWaalsContact C-N 3.33Å; W77-D79 PolarHBondContact NE1-OD2 2.79Å |
| 78 | A | 51 | Low | 55.8 | Low | 107 Ų | 107 | 149.5 Ų | 149.5 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | | | trans | -99 | 66.2 | 141.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 79 | D | 51.8 | Low | 55.9 | Low | 124 Ų | 124 | 151.3 Ų | 151.3 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | | | trans | -78.1 | 116.7 | 159.9 | -86.5 | -27.7 | 0 | 0 | 0 | 107.7 | W77 | W77-D79 VanDerWaalsContact C-N 3.33Å; W77-D79 PolarHBondContact NE1-OD2 2.79Å |
| 80 | A | 56.2 | Low | 56.1 | Low | 82 Ų | 82 | 152 Ų | 152 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | 27 | 109.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 81 | L | 58 | Low | 55.8 | Low | 162 Ų | 162 | 152.5 Ų | 152.5 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -125.5 | 98 | 143.4 | -74.4 | 176.7 | 0 | 0 | 0 | 109.3 | G83 | L81-G83 PolarHBondContact O-N 3.45Š|
| 82 | P | 50.8 | Low | 56 | Low | 126 Ų | 126 | 151.7 Ų | 151.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -75.2 | 121.7 | 167.3 | 31.4 | -27.1 | 0 | 0 | 0 | 107.8 | | |
| 83 | G | 58.1 | Low | 55.8 | Low | 66 Ų | 66 | 152.6 Ų | 152.6 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | | | trans | 94.8 | 102.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L81 | L81-G83 PolarHBondContact O-N 3.45Š|
| 84 | L | 61 | Low | 55.4 | Low | 155 Ų | 155 | 144.1 Ų | 144.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -151.2 | 85.2 | 145 | -98.6 | 162.3 | 0 | 0 | 0 | 107.5 | F86 | L84-F86 HydrophobicContact CD2-CD2 4.25Š|
| 85 | L | 62.8 | Low | 55 | Low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -85.9 | 103.5 | 165.1 | -76.3 | 168.2 | 0 | 0 | 0 | 108 | | |
| 86 | F | 59.7 | Low | 55 | Low | 160 Ų | 160 | 141.5 Ų | 141.5 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | trans | -145.3 | 101 | 158.1 | -82.2 | -77.8 | 0 | 0 | 0 | 110.1 | L84 F88 | L84-F86 HydrophobicContact CD2-CD2 4.25Å; F86-F88 HydrophobicContact CG-CZ 4.48Å; F86-F88 HydrophobicContact CG-CE2 4.31Å; F86-F88 HydrophobicContact CD1-CZ 4.27Å; F86-F88 HydrophobicContact CB-CZ 4.43Å; F86-F88 HydrophobicContact CD1-CE2 4.46Å; F86-F88 HydrophobicContact CB-CD2 4.23Å; F86-F88 HydrophobicContact CB-CE2 3.8Å |
| 87 | R | 59.8 | Low | 54.8 | Low | 253 Ų | 253 | 139.5 Ų | 139.5 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | | | trans | -90.4 | 106.3 | 156.6 | -87.9 | -174.8 | 171 | -173.1 | -2.3 | 107.2 | | |
| 88 | F | 60.1 | Low | 54.6 | Low | 171 Ų | 171 | 132.5 Ų | 132.5 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 136.5 | 167.4 | -71.9 | -85.6 | 0 | 0 | 0 | 109.3 | F86 A90 | F86-F88 HydrophobicContact CG-CZ 4.48Å; F86-F88 HydrophobicContact CG-CE2 4.31Å; F86-F88 HydrophobicContact CD1-CZ 4.27Å; F86-F88 HydrophobicContact CB-CZ 4.43Å; F86-F88 HydrophobicContact CD1-CE2 4.46Å; F86-F88 HydrophobicContact CB-CD2 4.23Å; F86-F88 HydrophobicContact CB-CE2 3.8Å; F88-A90 PolarHBondContact O-N 3.03Å |
| 89 | P | 58.8 | Low | 54.4 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 125.3 | 170.1 | 27.5 | -30.6 | 0 | 0 | 0 | 108.7 | | |
| 90 | A | 57.4 | Low | 54.2 | Low | 82 Ų | 82 | 136 Ų | 136 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F88 N92 | F88-A90 PolarHBondContact O-N 3.03Å; A90-N92 PolarHBondContact O-N 2.9Å |
| 91 | P | 52.3 | Low | 53.5 | Low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | | | trans | -70.8 | 115.8 | 173.7 | 28 | -31 | 0 | 0 | 0 | 108.7 | C93 | P91-C93 PolarHBondContact O-N 2.99Å; P91-C93 VanDerWaalsContact O-N 3.14Å |
| 92 | N | 57.7 | Low | 53.5 | Low | 164 Ų | 164 | 142.5 Ų | 142.5 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -66.6 | 113.1 | 172.1 | -73.8 | -39.5 | 0 | 0 | 0 | 109 | A90 G94 | A90-N92 PolarHBondContact O-N 2.9Å; N92-G94 PolarHBondContact O-N 3.18Å |
| 93 | C | 51.5 | Low | 53 | Low | 133 Ų | 133 | 139.7 Ų | 139.7 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | | | trans | -69 | 119.2 | 169.8 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | P91 | P91-C93 PolarHBondContact O-N 2.99Å; P91-C93 VanDerWaalsContact O-N 3.14Å |
| 94 | G | 48.9 | Very low | 52.1 | Low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | | | trans | -151.6 | 92.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N92 | N92-G94 PolarHBondContact O-N 3.18Š|
| 95 | S | 45.5 | Very low | 51.7 | Low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | 67.4 | 97.6 | 148.6 | -42.8 | 0 | 0 | 0 | 0 | 120 | | |
| 96 | F | 54.4 | Low | 50.5 | Low | 217 Ų | 217 | 137.4 Ų | 137.4 | 95% | 0.952 | 82% | 0.819 | S | S | * | * | | | trans | -111.1 | 129 | 145.8 | -83 | -81.5 | 0 | 0 | 0 | 109.1 | | |
| 97 | P | 48.1 | Very low | 49.8 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -134.6 | 142.4 | 134.8 | 37.7 | -26.3 | 0 | 0 | 0 | 108.8 | | |
| 98 | G | 43.5 | Very low | 49.1 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | cis | 178.6 | 150.4 | 3.2 | 0 | 0 | 0 | 0 | 0 | 104.8 | G100 | G98-G100 PolarHBondContact O-N 3.44Š|
| 99 | F | 46.3 | Very low | 48.1 | Very low | 234 Ų | 234 | 132.6 Ų | 132.6 | 100% | 1.026 | 81% | 0.811 | S | S | * | * | | | trans | -72.8 | 106.9 | 173.9 | -87.6 | -91.1 | 0 | 0 | 0 | 109.7 | | |
| 100 | G | 47.3 | Very low | 47.1 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | -123.8 | 135.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G98 | G98-G100 PolarHBondContact O-N 3.44Š|
| 101 | R | 41.3 | Very low | 46.4 | Very low | 248 Ų | 248 | 134.6 Ų | 134.6 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | trans | -43 | 162.4 | -169.5 | -82.9 | 173.9 | 169.1 | -163.8 | -2.7 | 119.3 | | |
| 102 | P | 57.8 | Low | 45.8 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | | | trans | -94.8 | 156.2 | -175 | 38.4 | -33.3 | 0 | 0 | 0 | 115.2 | | |
| 103 | G | 40.1 | Very low | 44.8 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | | | trans | 151 | 97.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 104 | S | 40.5 | Very low | 44.6 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | | 88.7 | 161.7 | 89.4 | -67.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 105 | P | 52.5 | Low | 44.5 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | | | | -116.3 | 145.7 | -67.6 | 34.2 | -19.4 | 0 | 0 | 0 | 111.4 | | |
| 106 | G | 37.9 | Very low | 44.3 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -175.4 | 112 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 107 | H | 43.5 | Very low | 43.7 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -81.1 | 150.8 | 174 | -128.4 | -32.9 | 0 | 0 | 0 | 110.1 | R109 | H107-R109 PolarHBondContact CE1-N 3.41Å; H107-R109 PolarHBondContact ND1-N 3.29Å |
| 108 | P | 44.8 | Very low | 43.8 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | | | | -141.7 | 143.2 | 76.1 | 33.1 | -14.5 | 0 | 0 | 0 | 116.1 | | |
| 109 | R | 39.6 | Very low | 43.8 | Very low | 215 Ų | 215 | 148 Ų | 148 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | 52.2 | 105.1 | 141.3 | -58.6 | 174.8 | -177.2 | -116.3 | -0.3 | 117.5 | H107 | H107-R109 PolarHBondContact CE1-N 3.41Å; H107-R109 PolarHBondContact ND1-N 3.29Å |
| 110 | L | 37.4 | Very low | 43.6 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | | | | 47.4 | 118.7 | 87.3 | -59.5 | 172.9 | 0 | 0 | 0 | 111.7 | | |
| 111 | S | 42.7 | Very low | 43.5 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 67% | 0.671 | 82% | 0.817 | S | S | * | * | | | cis | -171.8 | 149.3 | 12 | -68.1 | 0 | 0 | 0 | 0 | 107 | S113 | S111-S113 PolarHBondContact O-N 3.21Š|
| 112 | P | 41.2 | Very low | 43.4 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -78.4 | 103.9 | 159 | 30.1 | -26.7 | 0 | 0 | 0 | 108.6 | L114 | P112-L114 PolarHBondContact O-N 3.01Š|
| 113 | S | 36.2 | Very low | 42.7 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | | | trans | -34.2 | 122.4 | 167.1 | 165.4 | 0 | 0 | 0 | 0 | 114.5 | S111 R115 | S111-S113 PolarHBondContact O-N 3.21Å; S113-R115 PolarHBondContact O-N 3.28Å |
| 114 | L | 47.6 | Very low | 43.1 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | trans | -70.2 | 107.9 | 159.1 | -92.7 | 151.5 | 0 | 0 | 0 | 109.1 | P112 | P112-L114 PolarHBondContact O-N 3.01Š|
| 115 | R | 46.9 | Very low | 43.3 | Very low | 226 Ų | 226 | 154.3 Ų | 154.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | 178.1 | 115.5 | 148.2 | -98.9 | 158.7 | -165.9 | -137.1 | 6 | 111.3 | S113 K117 | S113-R115 PolarHBondContact O-N 3.28Å; R115-K117 PolarHBondContact O-N 3.42Å |
| 116 | P | 41 | Very low | 43.3 | Very low | 128 Ų | 128 | 159.5 Ų | 159.5 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | | | trans | -73.8 | 117.4 | 160.2 | 27.9 | -27.7 | 0 | 0 | 0 | 109.2 | L118 | P116-L118 PolarHBondContact O-N 3.08Š|
| 117 | K | 42.2 | Very low | 43.8 | Very low | 191 Ų | 191 | 163.1 Ų | 163.1 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | -65.2 | 118.7 | 168 | -82.4 | 172.9 | 175.1 | 170.7 | 0 | 108.8 | R115 L119 | R115-K117 PolarHBondContact O-N 3.42Å; K117-L119 PolarHBondContact O-N 3.37Å; K117-L119 VanDerWaalsContact O-N 3.13Å |
| 118 | L | 49.1 | Very low | 44.4 | Very low | 177 Ų | 177 | 163.3 Ų | 163.3 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | | | trans | -61 | 106.5 | 159.8 | -84.1 | 159.1 | 0 | 0 | 0 | 108.4 | P116 | P116-L118 PolarHBondContact O-N 3.08Š|
| 119 | L | 43.4 | Very low | 44.2 | Very low | 164 Ų | 164 | 170.6 Ų | 170.6 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | | | trans | -125.5 | 119.6 | 158.2 | -88.6 | 167.9 | 0 | 0 | 0 | 108.9 | K117 | K117-L119 PolarHBondContact O-N 3.37Å; K117-L119 VanDerWaalsContact O-N 3.13Å |
| 120 | R | 41.9 | Very low | 44.4 | Very low | 244 Ų | 244 | 163.9 Ų | 163.9 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | | | trans | -82 | 151.8 | -174.8 | -159.4 | 177.8 | -172.3 | -177.6 | 2.1 | 108.9 | | |
| 121 | A | 45 | Very low | 44.8 | Very low | 84 Ų | 84 | 161.8 Ų | 161.8 | 69% | 0.694 | 83% | 0.831 | S | S | * | * | | | trans | 82.6 | 100.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 122 | H | 40.4 | Very low | 45 | Very low | 185 Ų | 185 | 161.6 Ų | 161.6 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | | -164.3 | 146.1 | 106 | -114.2 | -95.7 | 0 | 0 | 0 | 110.4 | | |
| 123 | R | 42.7 | Very low | 45.4 | Very low | 229 Ų | 229 | 161.7 Ų | 161.7 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | | | trans | -39.2 | 143.8 | -164.2 | -66.7 | 173.9 | 172.4 | 169.2 | -2.4 | 118.2 | | |
| 124 | P | 48.2 | Very low | 45.7 | Very low | 121 Ų | 121 | 159.7 Ų | 159.7 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | | | trans | -78.9 | 134.4 | 164.7 | 31.3 | -30.4 | 0 | 0 | 0 | 111.7 | R126 | P124-R126 PolarHBondContact O-N 3.35Š|
| 125 | L | 45.5 | Very low | 45.6 | Very low | 146 Ų | 146 | 160 Ų | 160 | 76% | 0.764 | 83% | 0.833 | S | S | * | * | | | trans | -53.6 | 121 | 160.3 | -99 | 110.8 | 0 | 0 | 0 | 108.8 | H127 | L125-H127 PolarHBondContact O-N 3.37Š|
| 126 | R | 52.1 | Low | 45.4 | Very low | 239 Ų | 239 | 153.7 Ų | 153.7 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | | | trans | -70.1 | 93.4 | 168.1 | -69.2 | -177.9 | 172.5 | -151.2 | -1.6 | 108.4 | P124 | P124-R126 PolarHBondContact O-N 3.35Š|
| 127 | H | 47.8 | Very low | 45.3 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | | | trans | -110.1 | 106.2 | 155.9 | -79.7 | -72.5 | 0 | 0 | 0 | 108.2 | L125 W129 | L125-H127 PolarHBondContact O-N 3.37Å; H127-W129 PolarHBondContact O-N 3.13Å |
| 128 | L | 56.2 | Low | 45.8 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | | | trans | -40.8 | 118.5 | 160.5 | -108.3 | 76.7 | 0 | 0 | 0 | 108.5 | | |
| 129 | W | 40.6 | Very low | 45.5 | Very low | 261 Ų | 261 | 150.7 Ų | 150.7 | 99% | 0.989 | 82% | 0.821 | S | S | * | * | | | trans | -152.6 | 118.5 | 153.9 | -116.1 | 29.8 | 0 | 0 | 0 | 110.4 | H127 | H127-W129 PolarHBondContact O-N 3.13Š|
| 130 | G | 45.4 | Very low | 45.9 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | 60 | 96 | 149 | 0 | 0 | 0 | 0 | 0 | 117.4 | A132 | G130-A132 PolarHBondContact O-N 3.29Š|
| 131 | A | 43.9 | Very low | 46.1 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | -56.4 | 124.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 132 | A | 48 | Very low | 45.9 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -71.7 | 136 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G130 G134 | G130-A132 PolarHBondContact O-N 3.29Å; A132-G134 PolarHBondContact O-N 3.28Å |
| 133 | P | 48.9 | Very low | 46.3 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | | | trans | -87.5 | 99.5 | 167.5 | 32.1 | -24.6 | 0 | 0 | 0 | 108 | | |
| 134 | G | 42.8 | Very low | 46.8 | Very low | 64 Ų | 64 | 130.9 Ų | 130.9 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | trans | -132.7 | 89.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A132 | A132-G134 PolarHBondContact O-N 3.28Š|
| 135 | L | 45.5 | Very low | 47 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | 58.1 | 119.9 | 144.1 | -58.7 | 174.5 | 0 | 0 | 0 | 121.2 | | |
| 136 | A | 42.2 | Very low | 47.2 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | trans | 65.1 | 104.5 | 132.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 137 | S | 39.8 | Very low | 47.1 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -137.7 | 98.2 | 132.8 | -171.5 | 0 | 0 | 0 | 0 | 108.9 | F139 | S137-F139 PolarHBondContact O-N 3.46Š|
| 138 | V | 53.1 | Low | 46.8 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -83 | 100.1 | 162.8 | 176.4 | 0 | 0 | 0 | 0 | 106 | | |
| 139 | F | 43 | Very low | 46.7 | Very low | 196 Ų | 196 | 119.6 Ų | 119.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -127.5 | 99.8 | 152.3 | -94.4 | -83.1 | 0 | 0 | 0 | 107.4 | S137 | S137-F139 PolarHBondContact O-N 3.46Š|
| 140 | A | 49.9 | Very low | 47.1 | Very low | 78 Ų | 78 | 110.6 Ų | 110.6 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | | | trans | -86.2 | 174.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 141 | P | 46.2 | Very low | 46.9 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | cis | -128.8 | 125.7 | -7.9 | 32.6 | -13.1 | 0 | 0 | 0 | 112.2 | S143 | P141-S143 PolarHBondContact O-N 3.32Š|
| 142 | G | 41.1 | Very low | 47.1 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | | | trans | -78.2 | 108.7 | 162 | 0 | 0 | 0 | 0 | 0 | 109.1 | A144 | G142-A144 PolarHBondContact O-N 3.22Š|
| 143 | S | 50.3 | Low | 47 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -53.5 | 91.5 | 174.5 | 165.6 | 0 | 0 | 0 | 0 | 111.6 | P141 A145 | P141-S143 PolarHBondContact O-N 3.32Å; S143-A145 PolarHBondContact O-N 2.84Å |
| 144 | A | 51.5 | Low | 47.1 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -78.9 | 98.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | G142 | G142-A144 PolarHBondContact O-N 3.22Š|
| 145 | A | 53.1 | Low | 47.1 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | -52.6 | 142.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S143 C147 | S143-A145 PolarHBondContact O-N 2.84Å; A145-C147 PolarHBondContact O-N 3.2Å |
| 146 | P | 49.8 | Very low | 47 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -59.7 | 125.3 | 177.4 | 24.6 | -32.2 | 0 | 0 | 0 | 109 | N148 | P146-N148 VanDerWaalsContact C-N 3.25Å; P146-N148 PolarHBondContact O-N 2.8Å |
| 147 | C | 48.9 | Very low | 47 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | trans | -63.9 | 90.2 | 169.8 | 32.4 | 0 | 0 | 0 | 0 | 108.8 | A145 | A145-C147 PolarHBondContact O-N 3.2Š|
| 148 | N | 43.2 | Very low | 47.5 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | -73.1 | 122.3 | 176.9 | -148.5 | -17.7 | 0 | 0 | 0 | 108.5 | P146 A150 | P146-N148 VanDerWaalsContact C-N 3.25Å; P146-N148 PolarHBondContact O-N 2.8Å; N148-A150 PolarHBondContact O-N 2.88Å |
| 149 | P | 52.7 | Low | 47.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -79.7 | 71.6 | 179.4 | 33.5 | -33.5 | 0 | 0 | 0 | 109.1 | | |
| 150 | A | 49.4 | Very low | 48 | Very low | 73 Ų | 73 | 128 Ų | 128 | 60% | 0.603 | 78% | 0.778 | S | S | * | * | | | trans | -139.3 | 43.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N148 R152 | N148-A150 PolarHBondContact O-N 2.88Å; A150-R152 PolarHBondContact O-N 3.16Å; A150-R152 VanDerWaalsContact O-N 3.16Å |
| 151 | S | 41.4 | Very low | 48.2 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | | | trans | -85.1 | 67.5 | 157.4 | 59.3 | 0 | 0 | 0 | 0 | 109.6 | A153 | S151-A153 VanDerWaalsContact C-N 3.29Å; S151-A153 PolarHBondContact O-N 3.29Å |
| 152 | R | 48.2 | Very low | 48.8 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 75% | 0.751 | 79% | 0.789 | S | S | * | * | | | trans | -87.2 | 69.8 | 167.2 | -164.9 | -177.4 | -167.2 | -174 | 6.8 | 108.4 | A150 R154 | A150-R152 PolarHBondContact O-N 3.16Å; A150-R152 VanDerWaalsContact O-N 3.16Å; R152-R154 PolarHBondContact O-N 3.25Å |
| 153 | A | 46.7 | Very low | 49 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -84.3 | 102.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | S151 A155 | S151-A153 VanDerWaalsContact C-N 3.29Å; S151-A153 PolarHBondContact O-N 3.29Å; A153-A155 PolarHBondContact O-N 3.11Å; A153-A155 VanDerWaalsContact O-N 3.11Å |
| 154 | R | 49.5 | Very low | 49.2 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | -63.2 | 104.7 | 178.5 | -66.4 | 174.4 | 176.4 | -145.4 | 1.3 | 109.7 | R152 | R152-R154 PolarHBondContact O-N 3.25Š|
| 155 | A | 42.8 | Very low | 49.2 | Very low | 95 Ų | 95 | 146 Ų | 146 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -100.5 | 100.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | A153 | A153-A155 PolarHBondContact O-N 3.11Å; A153-A155 VanDerWaalsContact O-N 3.11Å |
| 156 | S | 44.2 | Very low | 49.2 | Very low | 102 Ų | 102 | 149.6 Ų | 149.6 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | trans | -57.8 | 126.6 | 177.9 | -177.1 | 0 | 0 | 0 | 0 | 111 | R158 | S156-R158 PolarHBondContact O-N 3.15Š|
| 157 | P | 42.8 | Very low | 49.2 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -71.2 | 104.6 | 159.9 | 25.3 | -22.4 | 0 | 0 | 0 | 106.9 | R159 | P157-R159 PolarHBondContact O-N 3.39Š|
| 158 | R | 49.6 | Very low | 49.1 | Very low | 234 Ų | 234 | 151.4 Ų | 151.4 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -44.3 | 114.8 | 163.1 | -76 | 177.7 | 171.8 | 174.1 | -3.1 | 107.9 | S156 P160 | S156-R158 PolarHBondContact O-N 3.15Å; R158-P160 WeakPolarHBondContact O-CD 3.35Å |
| 159 | R | 54.8 | Low | 49.6 | Very low | 233 Ų | 233 | 150.6 Ų | 150.6 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | -54.2 | 125.8 | 169 | -71.4 | 178.5 | 174.8 | 171.3 | -2.2 | 108.4 | P157 R161 | P157-R159 PolarHBondContact O-N 3.39Å; R159-R161 PolarHBondContact O-N 3.05Å; R159-R161 VanDerWaalsContact O-N 3.09Å |
| 160 | P | 51 | Low | 49.4 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -67.5 | 107.6 | 152.7 | -10.8 | 27.1 | 0 | 0 | 0 | 106.4 | R158 G162 | R158-P160 WeakPolarHBondContact O-CD 3.35Å; P160-G162 PolarHBondContact O-N 3.03Å |
| 161 | R | 55.8 | Low | 49.1 | Very low | 253 Ų | 253 | 150.5 Ų | 150.5 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | | | trans | -52.3 | 122.9 | 160.7 | -79.7 | 175.9 | 169.6 | 156.1 | -4.4 | 107.5 | R159 | R159-R161 PolarHBondContact O-N 3.05Å; R159-R161 VanDerWaalsContact O-N 3.09Å |
| 162 | G | 57 | Low | 49.1 | Very low | 66 Ų | 66 | 152.6 Ų | 152.6 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | | | trans | 134.1 | 72 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P160 | P160-G162 PolarHBondContact O-N 3.03Š|
| 163 | Q | 46.8 | Very low | 48.8 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | | | trans | -136.6 | 111.2 | 135.3 | -70 | -162.9 | 19.3 | 0 | 0 | 107.5 | | |
| 164 | R | 54.3 | Low | 48.5 | Very low | 221 Ų | 221 | 158.1 Ų | 158.1 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | | | trans | -66 | 141.2 | 169.6 | -78.2 | 175 | 168.1 | 175.8 | -4.8 | 108.6 | L166 | R164-L166 PolarHBondContact O-N 3.27Å; R164-L166 VanDerWaalsContact O-N 3.15Å |
| 165 | P | 52.1 | Low | 48.3 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -74.9 | 102 | 166.3 | 29.8 | -28.3 | 0 | 0 | 0 | 108.2 | V167 | P165-V167 PolarHBondContact O-N 3.09Š|
| 166 | L | 52.1 | Low | 48.2 | Very low | 153 Ų | 153 | 152.6 Ų | 152.6 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | | | trans | -85.8 | 93.3 | 171.3 | -88.8 | 151.6 | 0 | 0 | 0 | 109 | R164 | R164-L166 PolarHBondContact O-N 3.27Å; R164-L166 VanDerWaalsContact O-N 3.15Å |
| 167 | V | 50.3 | Low | 48.1 | Very low | 120 Ų | 120 | 158.5 Ų | 158.5 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | trans | 56.1 | 105.7 | 138.7 | -172.7 | 0 | 0 | 0 | 0 | 117 | P165 | P165-V167 PolarHBondContact O-N 3.09Š|
| 168 | H | 46.6 | Very low | 47.9 | Very low | 167 Ų | 167 | 159.5 Ų | 159.5 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | -53 | 130.3 | 151.5 | -115.4 | -69.1 | 0 | 0 | 0 | 111.1 | | |
| 169 | P | 54.7 | Low | 47.7 | Very low | 118 Ų | 118 | 156 Ų | 156 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | | | trans | -88.9 | 101.7 | 152.5 | 30.6 | -25.3 | 0 | 0 | 0 | 108.5 | | |
| 170 | C | 48.4 | Very low | 47.1 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | | | trans | -71.3 | 118.2 | 147.8 | -69.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 171 | G | 41.3 | Very low | 46.6 | Very low | 76 Ų | 76 | 157 Ų | 157 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | | | trans | -141.5 | 68.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 172 | L | 43.3 | Very low | 46.1 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | | | trans | -69.9 | 127.2 | 160.4 | -74 | 166.3 | 0 | 0 | 0 | 108.7 | | |
| 173 | R | 41.8 | Very low | 45.2 | Very low | 241 Ų | 241 | 156.9 Ų | 156.9 | 91% | 0.909 | 86% | 0.862 | S | S | * | * | | | trans | 163.9 | 104.6 | 144.6 | -91.1 | 164.7 | -174.8 | -159.9 | 2.4 | 107.6 | | |
| 174 | L | 40 | Very low | 45.2 | Very low | 172 Ų | 172 | 155 Ų | 155 | 90% | 0.901 | 86% | 0.859 | S | S | * | * | | | | 63.2 | 89.1 | 78.9 | -149.7 | 119.1 | 0 | 0 | 0 | 113 | | |
| 175 | A | 45.1 | Very low | 44.7 | Very low | 93 Ų | 93 | 151.5 Ų | 151.5 | 77% | 0.769 | 86% | 0.861 | S | S | * | * | | | trans | -156 | 96.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 176 | S | 40.1 | Very low | 44.3 | Very low | 93 Ų | 93 | 152.5 Ų | 152.5 | 65% | 0.65 | 86% | 0.861 | S | S | * | * | | | | 58.4 | 107.9 | 81.9 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 177 | R | 42 | Very low | 43.8 | Very low | 227 Ų | 227 | 152.5 Ų | 152.5 | 86% | 0.857 | 86% | 0.864 | S | S | * | * | | | trans | 56.8 | 102.5 | 140.1 | -59.7 | 177.4 | 176.5 | -163.2 | -0.8 | 117.4 | | |
| 178 | C | 39 | Very low | 43.4 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 93% | 0.932 | 87% | 0.873 | S | S | * | * | | | trans | -133.5 | 89.6 | 131.8 | -80.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 179 | L | 46 | Very low | 43.2 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 84% | 0.843 | 88% | 0.879 | S | S | * | * | | | trans | -69.7 | 141.5 | 149.2 | -124.3 | 156.7 | 0 | 0 | 0 | 106.7 | | |
| 180 | R | 41.7 | Very low | 42.4 | Very low | 221 Ų | 221 | 156.2 Ų | 156.2 | 83% | 0.834 | 89% | 0.887 | S | S | * | * | | | trans | 85.5 | 112.4 | 167.3 | -55.9 | 176.5 | 173 | 173.7 | -2.8 | 116.9 | | |
| 181 | L | 41.4 | Very low | 41.9 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 82% | 0.817 | 89% | 0.892 | S | S | * | * | | | | 174.6 | 118 | 104.1 | -94.3 | 143.6 | 0 | 0 | 0 | 111.5 | | |
| 182 | I | 44.4 | Very low | 41.9 | Very low | 164 Ų | 164 | 165.7 Ų | 165.7 | 84% | 0.841 | 90% | 0.901 | S | S | * | * | | | trans | 73.8 | 108.2 | 149 | -45.9 | 171.1 | 0 | 0 | 0 | 118.3 | | |
| 183 | G | 38.8 | Very low | 41.8 | Very low | 152 Ų | 152 | 165.3 Ų | 165.3 | 100% | 1.567 | 90% | 0.902 | S | S | * | * | | | trans | -166.3 | 0 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108 | | |