| 1 | M | 42.1 | Very low | 53.5 | Low | 252 Ų | 252 | 159.1 Ų | 159.1 | 100% | 1.241 | 86% | 0.858 | S | S | * | * | | | | 0 | 98.5 | 0 | -87.9 | 151.8 | 161.4 | 0 | 0 | 106.9 | | |
| 2 | E | 50.9 | Low | 53.7 | Low | 165 Ų | 165 | 164 Ų | 164 | 77% | 0.771 | 86% | 0.855 | S | S | * | * | | | trans | -106.9 | 118.3 | 171 | 63.7 | -163.1 | 151.1 | 0 | 0 | 106.7 | | |
| 3 | M | 65.8 | Low | 53.4 | Low | 184 Ų | 184 | 163 Ų | 163 | 91% | 0.906 | 85% | 0.85 | S | S | * | * | | | trans | -97.9 | 107.1 | 173.9 | -66.1 | -170.3 | -67.5 | 0 | 0 | 106.2 | | |
| 4 | Q | 65.4 | Low | 52.5 | Low | 162 Ų | 162 | 160.6 Ų | 160.6 | 76% | 0.757 | 85% | 0.854 | S | S | * | * | | | trans | -110.8 | 101.8 | 174.9 | -65.8 | -160.7 | 49.8 | 0 | 0 | 110.2 | | |
| 5 | D | 56.8 | Low | 51.7 | Low | 150 Ų | 150 | 155.4 Ų | 155.4 | 80% | 0.802 | 85% | 0.854 | S | S | * | * | | | trans | 27.3 | 117.5 | 149.8 | -63 | -60.9 | 0 | 0 | 0 | 121.9 | | |
| 6 | L | 62.5 | Low | 51.1 | Low | 179 Ų | 179 | 153.7 Ų | 153.7 | 94% | 0.937 | 86% | 0.856 | S | S | * | * | | | trans | -86.9 | 110.4 | 162.7 | -71.5 | 162.1 | 0 | 0 | 0 | 110.1 | | |
| 7 | T | 51.6 | Low | 50.9 | Low | 136 Ų | 136 | 151 Ų | 151 | 83% | 0.834 | 85% | 0.851 | S | S | * | * | | | trans | -144.8 | 125.6 | 153.4 | 104.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 8 | S | 43.3 | Very low | 50.3 | Low | 107 Ų | 107 | 153.4 Ų | 153.4 | 75% | 0.748 | 85% | 0.854 | S | S | * | * | | | trans | -107.3 | 177.2 | 171.1 | -154.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 9 | P | 53.5 | Low | 50.1 | Low | 111 Ų | 111 | 150.9 Ų | 150.9 | 72% | 0.721 | 85% | 0.848 | S | S | * | * | | | cis | -143.2 | -177 | 3.5 | 36.4 | -12.2 | 0 | 0 | 0 | 117.4 | | |
| 10 | H | 49.8 | Very low | 50.1 | Low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.796 | 84% | 0.844 | S | S | * | * | | | trans | 3.4 | 142.6 | 161.3 | -66.9 | -179.6 | 0 | 0 | 0 | 124.6 | | |
| 11 | S | 47.2 | Very low | 49.7 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 92% | 0.923 | 85% | 0.845 | S | S | * | * | | | trans | -154.8 | 139.7 | 139.5 | -85 | 0 | 0 | 0 | 0 | 113 | | |
| 12 | R | 55.7 | Low | 49.8 | Very low | 218 Ų | 218 | 139.3 Ų | 139.3 | 82% | 0.823 | 82% | 0.819 | S | S | * | * | | | trans | -101.4 | 160.7 | -170.5 | -64.6 | -164.5 | 178.4 | -130.3 | 5.5 | 113.6 | | |
| 13 | L | 49.2 | Very low | 49.9 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | | | trans | 67 | 114.4 | 142.6 | -74.3 | 149.6 | 0 | 0 | 0 | 120.6 | | |
| 14 | S | 41.6 | Very low | 49.1 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | | | trans | 179.5 | 123 | 139 | -78.9 | 0 | 0 | 0 | 0 | 106.1 | | |
| 15 | G | 40.4 | Very low | 48.7 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | | | cis | 116.5 | 100.8 | 44 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 16 | S | 41.2 | Very low | 48.5 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | | | trans | -138.7 | 123.5 | 168 | -166.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 17 | S | 47.9 | Very low | 47.6 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | -89.8 | 143.5 | -170.4 | 46.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 18 | E | 41.3 | Very low | 47.3 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | 66.3 | 126.7 | 137.6 | -147.8 | 138.4 | 92 | 0 | 0 | 122.1 | | |
| 19 | S | 46.1 | Very low | 47.6 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | -80.2 | 173.3 | 179 | -51.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 20 | P | 48.9 | Very low | 47.7 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | | -147.7 | 147.6 | 109.7 | 34.8 | -17.1 | 0 | 0 | 0 | 115.9 | | |
| 21 | S | 42.8 | Very low | 47.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | 64.1 | 103.1 | 150.1 | -48.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 22 | G | 44.3 | Very low | 47.2 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | | 145.3 | 151.3 | 50.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 23 | P | 51.8 | Low | 46.9 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -85.3 | 127.7 | -158.9 | 33.1 | -31.5 | 0 | 0 | 0 | 111.5 | | |
| 24 | K | 50.5 | Low | 46.6 | Very low | 208 Ų | 208 | 130.4 Ų | 130.4 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -111.4 | 78.5 | 160.6 | -164.2 | 172.7 | -177.7 | -177.1 | 0 | 108.1 | | |
| 25 | L | 57 | Low | 46.9 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -99.4 | 102.8 | 168.6 | -63.1 | 177.7 | 0 | 0 | 0 | 106.8 | | |
| 26 | D | 52.5 | Low | 47.2 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | | | trans | -62.5 | 135.5 | 152.9 | 87 | 74.7 | 0 | 0 | 0 | 107.2 | | |
| 27 | S | 42.7 | Very low | 47.6 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -94.6 | 146.2 | -178.9 | -46.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 28 | S | 44.8 | Very low | 47.2 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | cis | 175.9 | 123.4 | 46.5 | 46.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 29 | H | 50.9 | Low | 47.3 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -164.7 | 69.8 | 143.5 | -113.7 | -63.7 | 0 | 0 | 0 | 110.7 | | |
| 30 | I | 56.1 | Low | 47.2 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -152.8 | 102.6 | 156.3 | 28.7 | 174.4 | 0 | 0 | 0 | 107.9 | S32 | I30-S32 PolarHBondContact O-N 3.24Š|
| 31 | N | 46.4 | Very low | 47.4 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -70.1 | 110.6 | 166.8 | 173.6 | 8.4 | 0 | 0 | 0 | 107.9 | | |
| 32 | S | 39.9 | Very low | 47.4 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -135.9 | 97.9 | 162.9 | 60.1 | 0 | 0 | 0 | 0 | 108.8 | I30 S34 | I30-S32 PolarHBondContact O-N 3.24Å; S32-S34 PolarHBondContact O-N 3.11Å |
| 33 | T | 49.4 | Very low | 47.7 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | trans | -61.3 | 111.9 | 168.6 | 13.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 34 | S | 41.9 | Very low | 47.8 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -126.3 | 129.1 | 168.6 | 176 | 0 | 0 | 0 | 0 | 108.9 | S32 | S32-S34 PolarHBondContact O-N 3.11Š|
| 35 | M | 49 | Very low | 47.8 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | | | trans | -95.8 | 136.9 | -168.8 | -82.7 | -77.2 | 179.9 | 0 | 0 | 112.7 | | |
| 36 | T | 45.4 | Very low | 47.6 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | 68.8 | 156.4 | 144.9 | 60.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 37 | P | 49.2 | Very low | 47 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | cis | -138.7 | 156.7 | 16.9 | 39.3 | -18.6 | 0 | 0 | 0 | 118.9 | | |
| 38 | N | 40.2 | Very low | 46.8 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | 51.9 | 123.2 | 143.9 | -143.3 | 32.2 | 0 | 0 | 0 | 122.8 | | |
| 39 | G | 43.6 | Very low | 46.4 | Very low | 62 Ų | 62 | 140.7 Ų | 140.7 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | | | trans | 171.8 | 96.2 | 162 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 40 | T | 43.6 | Very low | 46.1 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | | | trans | 99.2 | 117.9 | 161.9 | -32.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 41 | E | 53 | Low | 45.6 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | -80.8 | 114 | -170.3 | -54.7 | 160.8 | 159.5 | 0 | 0 | 110.3 | | |
| 42 | V | 42.5 | Very low | 45.8 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | -132.6 | 97.3 | 154.5 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | T44 | V42-T44 PolarHBondContact O-N 3Š|
| 43 | K | 51.6 | Low | 45.8 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | trans | -20 | 120.4 | 153.9 | 169.9 | 178.9 | 160.5 | -174.1 | 0 | 113.3 | | |
| 44 | T | 53.4 | Low | 45.4 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | | -173.2 | 134.9 | 119.5 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | V42 | V42-T44 PolarHBondContact O-N 3Š|
| 45 | E | 50.3 | Low | 45.4 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -10.4 | 142.3 | -180 | -76.7 | 172.7 | 98.6 | 0 | 0 | 122.5 | | |
| 46 | P | 53.6 | Low | 44.9 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -83.4 | 135 | 156.1 | 34.4 | -26.6 | 0 | 0 | 0 | 109.8 | | |
| 47 | M | 38.8 | Very low | 44.9 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | 179 | 93.9 | 141.9 | -98.6 | 165.6 | 60.5 | 0 | 0 | 109.9 | | |
| 48 | S | 38.5 | Very low | 44.5 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -99.5 | 94.7 | 157.5 | -169.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 49 | S | 37.1 | Very low | 44.6 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -59.1 | 143.2 | 173 | 43.5 | 0 | 0 | 0 | 0 | 112 | | |
| 50 | S | 45.3 | Very low | 44.9 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -44.2 | 132 | 173.3 | -49.9 | 0 | 0 | 0 | 0 | 113.3 | I52 | S50-I52 PolarHBondContact O-N 3.17Š|
| 51 | E | 45.2 | Very low | 44.9 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -58.8 | 114.5 | 165.4 | -174.5 | 174.2 | 98 | 0 | 0 | 109.4 | | |
| 52 | I | 50.6 | Low | 44.4 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -110.4 | 105 | 165.4 | -30.9 | 175 | 0 | 0 | 0 | 105.8 | S50 S54 | S50-I52 PolarHBondContact O-N 3.17Å; I52-S54 PolarHBondContact O-N 3.32Å |
| 53 | A | 40.3 | Very low | 45 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | -57.9 | 104.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T55 | A53-T55 PolarHBondContact O-N 2.83Š|
| 54 | S | 40.1 | Very low | 44.6 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -80.5 | 96.9 | 172.9 | -64.1 | 0 | 0 | 0 | 0 | 107.9 | I52 A56 | I52-S54 PolarHBondContact O-N 3.32Å; S54-A56 PolarHBondContact O-N 3.33Å |
| 55 | T | 42.4 | Very low | 44.2 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | -70.9 | 107.9 | 164.6 | -56.5 | 0 | 0 | 0 | 0 | 107.4 | A53 A57 | A53-T55 PolarHBondContact O-N 2.83Å; T55-A57 PolarHBondContact O-N 3.14Å |
| 56 | A | 39.1 | Very low | 43.7 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | -65.2 | 98.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108 | S54 | S54-A56 PolarHBondContact O-N 3.33Š|
| 57 | A | 45 | Very low | 43.2 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -87.3 | 113.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | T55 | T55-A57 PolarHBondContact O-N 3.14Š|
| 58 | D | 40.5 | Very low | 43.7 | Very low | 156 Ų | 156 | 119.3 Ų | 119.3 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -75.3 | 127.4 | 170.3 | 53.2 | -25 | 0 | 0 | 0 | 110.8 | | |
| 59 | G | 41.2 | Very low | 44 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | 97.2 | 124 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 60 | S | 50.8 | Low | 44.7 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | 80 | 100.6 | 141.7 | -168.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 61 | L | 43.8 | Very low | 44.6 | Very low | 149 Ų | 149 | 118.7 Ų | 118.7 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | | 170.5 | 112.6 | 110.6 | -96.6 | 141.6 | 0 | 0 | 0 | 111.1 | | |
| 62 | D | 41.1 | Very low | 44.9 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | | | trans | 32.8 | 105.9 | 144 | -56.8 | -55.8 | 0 | 0 | 0 | 120 | F64 | D62-F64 HydrophobicContact CB-CD2 4.4Å; D62-F64 HydrophobicContact CB-CE2 4.28Å; D62-F64 PolarHBondContact O-N 3.17Å; D62-F64 VanDerWaalsContact O-N 3.15Å |
| 63 | S | 56.8 | Low | 44.8 | Very low | 123 Ų | 123 | 113.2 Ų | 113.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -48.4 | 105.4 | 159.7 | -57.4 | 0 | 0 | 0 | 0 | 113 | | |
| 64 | F | 41.6 | Very low | 45.3 | Very low | 179 Ų | 179 | 118.1 Ų | 118.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -132.3 | 112.1 | 155.3 | -74.2 | -76.5 | 0 | 0 | 0 | 111.5 | D62 | D62-F64 HydrophobicContact CB-CD2 4.4Å; D62-F64 HydrophobicContact CB-CE2 4.28Å; D62-F64 PolarHBondContact O-N 3.17Å; D62-F64 VanDerWaalsContact O-N 3.15Å |
| 65 | S | 46.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | 62.6 | 113.8 | 137.5 | -61.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 66 | G | 39.7 | Very low | 46 | Very low | 69 Ų | 69 | 115.8 Ų | 115.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | 141 | 98.1 | 133.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 67 | S | 42.2 | Very low | 46.8 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | 78.2 | 82.7 | 139.2 | -50.8 | 0 | 0 | 0 | 0 | 117.3 | L69 | S67-L69 VanDerWaalsContact C-N 3.28Å; S67-L69 PolarHBondContact O-N 3.04Å; S67-L69 VanDerWaalsContact O-N 3.1Å |
| 68 | A | 50.3 | Low | 47.3 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | | | trans | -60.5 | 97.4 | 133.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 69 | L | 44.4 | Very low | 47.8 | Very low | 144 Ų | 144 | 118.2 Ų | 118.2 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -136.3 | 111.2 | 163.2 | -70.1 | 177.6 | 0 | 0 | 0 | 108.1 | S67 | S67-L69 VanDerWaalsContact C-N 3.28Å; S67-L69 PolarHBondContact O-N 3.04Å; S67-L69 VanDerWaalsContact O-N 3.1Å |
| 70 | G | 51.1 | Low | 48.7 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -59.6 | 137.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 71 | S | 42.5 | Very low | 48.8 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | trans | -169.2 | 120.1 | 142.5 | 43.1 | 0 | 0 | 0 | 0 | 109 | S73 | S71-S73 PolarHBondContact O-N 3.39Š|
| 72 | S | 52.6 | Low | 49.4 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | 12.5 | 107 | 138.4 | 170.4 | 0 | 0 | 0 | 0 | 116 | | |
| 73 | S | 48.9 | Very low | 50 | Low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | -158.7 | 76.1 | 144.3 | 38.9 | 0 | 0 | 0 | 0 | 109.2 | S71 S75 | S71-S73 PolarHBondContact O-N 3.39Å; S73-S75 PolarHBondContact O-N 3.37Å |
| 74 | F | 49.9 | Very low | 50.5 | Low | 189 Ų | 189 | 123 Ų | 123 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | trans | -59.4 | 96 | 152.7 | -178.1 | -96.2 | 0 | 0 | 0 | 106.5 | P76 | F74-P76 HydrophobicContact CE1-CB 4.17Å; F74-P76 VanDerWaalsContact O-CD 3.28Å; F74-P76 WeakPolarHBondContact O-CD 3.42Å |
| 75 | S | 48.5 | Very low | 51.3 | Low | 96 Ų | 96 | 119.6 Ų | 119.6 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | trans | -70.8 | 115.5 | 164.4 | -86 | 0 | 0 | 0 | 0 | 106.9 | S73 R77 | S73-S75 PolarHBondContact O-N 3.37Å; S75-R77 VanDerWaalsContact C-N 3.26Å; S75-R77 PolarHBondContact O-N 2.76Å |
| 76 | P | 49.5 | Very low | 51.9 | Low | 98 Ų | 98 | 122.8 Ų | 122.8 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -70 | 98.6 | 163.8 | 30.1 | -27.6 | 0 | 0 | 0 | 105.2 | F74 P78 | F74-P76 HydrophobicContact CE1-CB 4.17Å; F74-P76 VanDerWaalsContact O-CD 3.28Å; F74-P76 WeakPolarHBondContact O-CD 3.42Å; P76-P78 VanDerWaalsContact O-CD 3.25Å; P76-P78 WeakPolarHBondContact O-CD 3.47Å; P76-P78 VanDerWaalsContact O-N 3.15Å |
| 77 | R | 54.9 | Low | 53 | Low | 217 Ų | 217 | 127.1 Ų | 127.1 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | | | trans | -53.3 | 120.5 | 167.8 | -177.7 | 178.9 | -178.8 | -159.9 | 1.2 | 106.9 | S75 A79 | S75-R77 VanDerWaalsContact C-N 3.26Å; S75-R77 PolarHBondContact O-N 2.76Å; R77-A79 PolarHBondContact O-N 3.04Å |
| 78 | P | 56.1 | Low | 53.2 | Low | 90 Ų | 90 | 132.1 Ų | 132.1 | 58% | 0.584 | 76% | 0.762 | S | S | * | * | | | trans | -62.7 | 124.1 | 169.8 | -16.6 | 30.1 | 0 | 0 | 0 | 107.4 | P76 H80 | P76-P78 VanDerWaalsContact O-CD 3.25Å; P76-P78 WeakPolarHBondContact O-CD 3.47Å; P76-P78 VanDerWaalsContact O-N 3.15Å; P78-H80 PolarHBondContact O-N 2.97Å; P78-H80 VanDerWaalsContact O-N 3.07Å |
| 79 | A | 51.6 | Low | 53.4 | Low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | -61.8 | 114 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | R77 P81 | R77-A79 PolarHBondContact O-N 3.04Å; A79-P81 WeakPolarHBondContact O-CD 3.25Å |
| 80 | H | 58.9 | Low | 54.1 | Low | 142 Ų | 142 | 130.3 Ų | 130.3 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | | | trans | -81.8 | 107.7 | 169.3 | -53.1 | -62.3 | 0 | 0 | 0 | 108.1 | P78 | P78-H80 PolarHBondContact O-N 2.97Å; P78-H80 VanDerWaalsContact O-N 3.07Å |
| 81 | P | 53.3 | Low | 54.6 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | trans | -84.5 | 114.8 | 148.2 | 30.9 | -27.9 | 0 | 0 | 0 | 107.3 | A79 S83 | A79-P81 WeakPolarHBondContact O-CD 3.25Å; P81-S83 PolarHBondContact O-N 2.96Å |
| 82 | F | 56 | Low | 55.5 | Low | 196 Ų | 196 | 138.4 Ų | 138.4 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | -48.5 | 119.9 | 166.4 | -81 | -106.5 | 0 | 0 | 0 | 110.9 | | |
| 83 | S | 54.3 | Low | 55.9 | Low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | -170.3 | 125.8 | 140.7 | -78.6 | 0 | 0 | 0 | 0 | 110.2 | P81 | P81-S83 PolarHBondContact O-N 2.96Š|
| 84 | P | 66.4 | Low | 55.7 | Low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | | | trans | -67.1 | 151.6 | 170.6 | 27.5 | -31.6 | 0 | 0 | 0 | 110.5 | Q86 | P84-Q86 PolarHBondContact O-N 3.14Å; P84-Q86 VanDerWaalsContact O-N 3.14Å |
| 85 | P | 58.9 | Low | 56.1 | Low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | -63.4 | 117.9 | 169 | 26.9 | -30.7 | 0 | 0 | 0 | 107.9 | I87 | P85-I87 HydrophobicContact CB-CG1 4.49Å; P85-I87 WeakPolarHBondContact O-CG1 3.34Å; P85-I87 PolarHBondContact O-N 3.48Å |
| 86 | Q | 59.1 | Low | 56.4 | Low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | | | trans | -67.3 | 97.9 | 171.2 | -98.1 | -177.2 | -11.7 | 0 | 0 | 108.8 | P84 Y88 | P84-Q86 PolarHBondContact O-N 3.14Å; P84-Q86 VanDerWaalsContact O-N 3.14Å; Q86-Y88 VanDerWaalsContact C-N 3.25Å; Q86-Y88 PolarHBondContact O-N 3.1Å |
| 87 | I | 63.4 | Low | 56.9 | Low | 159 Ų | 159 | 143.6 Ų | 143.6 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | | | trans | -89.5 | 61.7 | 171.7 | -40.9 | 174.7 | 0 | 0 | 0 | 108.4 | P85 | P85-I87 HydrophobicContact CB-CG1 4.49Å; P85-I87 WeakPolarHBondContact O-CG1 3.34Å; P85-I87 PolarHBondContact O-N 3.48Å |
| 88 | Y | 47.2 | Very low | 57.3 | Low | 205 Ų | 205 | 140.8 Ų | 140.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -129.5 | 134.6 | 168.4 | -141.7 | -92.4 | 0 | 0 | 0 | 110 | Q86 S90 | Q86-Y88 VanDerWaalsContact C-N 3.25Å; Q86-Y88 PolarHBondContact O-N 3.1Å; Y88-S90 PolarHBondContact O-N 3.32Å |
| 89 | P | 53.1 | Low | 57.5 | Low | 91 Ų | 91 | 141.4 Ų | 141.4 | 59% | 0.591 | 76% | 0.763 | S | S | * | * | | | trans | -64.8 | 131.1 | -177.5 | -13.5 | 27.6 | 0 | 0 | 0 | 109.7 | N91 | P89-N91 HydrophobicContact CB-CB 4.39Å; P89-N91 PolarHBondContact O-N 3.45Å |
| 90 | S | 59 | Low | 58.1 | Low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | -68.3 | 69.2 | 167.7 | 177.6 | 0 | 0 | 0 | 0 | 110 | Y88 | Y88-S90 PolarHBondContact O-N 3.32Š|
| 91 | N | 62.7 | Low | 58.1 | Low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -114.7 | 47.8 | -178.9 | -108.5 | 64.9 | 0 | 0 | 0 | 112 | P89 | P89-N91 HydrophobicContact CB-CB 4.39Å; P89-N91 PolarHBondContact O-N 3.45Å |
| 92 | R | 61.6 | Low | 58.5 | Low | 201 Ų | 201 | 141.4 Ų | 141.4 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | | | trans | -124.8 | 110.7 | 157 | -110.4 | -174.5 | -124.9 | -131.7 | 2.2 | 108.8 | Y94 | R92-Y94 HydrophobicContact CB-CD2 4.47Å; R92-Y94 HydrophobicContact CB-CE2 4.38Å; R92-Y94 WeakPolarHBondContact O-CD2 3.1Å; R92-Y94 PolarHBondContact O-N 3.2Å |
| 93 | S | 60.7 | Low | 58.5 | Low | 121 Ų | 121 | 137.6 Ų | 137.6 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | -54.9 | 108.5 | 159.3 | -50.3 | 0 | 0 | 0 | 0 | 106.8 | P95 | S93-P95 WeakPolarHBondContact O-CD 3.49Š|
| 94 | Y | 43.8 | Very low | 58.3 | Low | 172 Ų | 172 | 141.2 Ų | 141.2 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | trans | -90.8 | 103.5 | 171.6 | -86.4 | -76.2 | 0 | 0 | 0 | 108.1 | R92 H96 | R92-Y94 HydrophobicContact CB-CD2 4.47Å; R92-Y94 HydrophobicContact CB-CE2 4.38Å; R92-Y94 WeakPolarHBondContact O-CD2 3.1Å; R92-Y94 PolarHBondContact O-N 3.2Å; Y94-H96 VanDerWaalsContact CB-CE1 3.49Å; Y94-H96 WeakPolarHBondContact CB-CE1 3.09Å; Y94-H96 AromaticContact CD1-CE1 3.1Å; Y94-H96 WeakPolarHBondContact CD1-CE1 3.47Å; Y94-H96 AromaticContact CD1-ND1 3.53Å; Y94-H96 AromaticContact CE1-CE1 3.83Å; Y94-H96 AromaticContact CG-CE1 3.47Å; Y94-H96 VanDerWaalsContact CG-CE1 3.47Å; Y94-H96 PolarHBondContact O-N 3.18Å |
| 95 | P | 60.3 | Low | 58 | Low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | -85.6 | 94.8 | 162 | 33.7 | -30.1 | 0 | 0 | 0 | 107.3 | S93 | S93-P95 WeakPolarHBondContact O-CD 3.49Š|
| 96 | H | 54.1 | Low | 57.8 | Low | 141 Ų | 141 | 145.7 Ų | 145.7 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | | | trans | -128.5 | 71.5 | 157.5 | 32.9 | -115.1 | 0 | 0 | 0 | 109.1 | Y94 | Y94-H96 VanDerWaalsContact CB-CE1 3.49Å; Y94-H96 WeakPolarHBondContact CB-CE1 3.09Å; Y94-H96 AromaticContact CD1-CE1 3.1Å; Y94-H96 WeakPolarHBondContact CD1-CE1 3.47Å; Y94-H96 AromaticContact CD1-ND1 3.53Å; Y94-H96 AromaticContact CE1-CE1 3.83Å; Y94-H96 AromaticContact CG-CE1 3.47Å; Y94-H96 VanDerWaalsContact CG-CE1 3.47Å; Y94-H96 PolarHBondContact O-N 3.18Å |
| 97 | I | 60 | Low | 57.7 | Low | 159 Ų | 159 | 140.7 Ų | 140.7 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | | | trans | -108 | 88.4 | 146.1 | -49.8 | 172.5 | 0 | 0 | 0 | 104.5 | P99 | I97-P99 WeakPolarHBondContact O-CD 3.46Š|
| 98 | L | 63.4 | Low | 57.5 | Low | 158 Ų | 158 | 136.7 Ų | 136.7 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 118.9 | 150.1 | -132.8 | 69.9 | 0 | 0 | 0 | 103.8 | T100 | L98-T100 PolarHBondContact O-N 3.05Š|
| 99 | P | 59.8 | Low | 57.4 | Low | 102 Ų | 102 | 139 Ų | 139 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 122.1 | 165.3 | -16.6 | 29 | 0 | 0 | 0 | 105.4 | I97 P101 | I97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-P101 VanDerWaalsContact O-CD 3.25Å; P99-P101 WeakPolarHBondContact O-CD 2.96Å |
| 100 | T | 63.7 | Low | 57.7 | Low | 130 Ų | 130 | 138.2 Ų | 138.2 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 117.5 | 164 | 18 | 0 | 0 | 0 | 0 | 105.8 | L98 S102 | L98-T100 PolarHBondContact O-N 3.05Å; T100-S102 PolarHBondContact O-N 3.08Å |
| 101 | P | 58.9 | Low | 57 | Low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 121.3 | 170.3 | 23.7 | -30.4 | 0 | 0 | 0 | 105.3 | P99 S103 | P99-P101 VanDerWaalsContact O-CD 3.25Å; P99-P101 WeakPolarHBondContact O-CD 2.96Å; P101-S103 PolarHBondContact O-N 3.08Å |
| 102 | S | 61.6 | Low | 56.7 | Low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130.5 | -179 | 62.8 | 0 | 0 | 0 | 0 | 107.5 | T100 Q104 | T100-S102 PolarHBondContact O-N 3.08Å; S102-Q104 PolarHBondContact O-N 3.14Å; S102-Q104 VanDerWaalsContact O-N 3.16Å |
| 103 | S | 55.8 | Low | 56.3 | Low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 127.4 | 177 | -152.8 | 0 | 0 | 0 | 0 | 108.3 | P101 T105 | P101-S103 PolarHBondContact O-N 3.08Å; S103-T105 PolarHBondContact O-N 3.1Å |
| 104 | Q | 51.6 | Low | 56 | Low | 186 Ų | 186 | 140.3 Ų | 140.3 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | trans | -61.2 | 105.9 | -177.5 | -66.4 | -178.1 | 3.2 | 0 | 0 | 108 | S102 M106 | S102-Q104 PolarHBondContact O-N 3.14Å; S102-Q104 VanDerWaalsContact O-N 3.16Å; Q104-M106 PolarHBondContact O-N 2.92Å |
| 105 | T | 59.3 | Low | 56.4 | Low | 130 Ų | 130 | 137.1 Ų | 137.1 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -62.1 | 112 | 166.3 | -67.6 | 0 | 0 | 0 | 0 | 106.7 | S103 A107 | S103-T105 PolarHBondContact O-N 3.1Å; T105-A107 PolarHBondContact O-N 3.02Å |
| 106 | M | 55.1 | Low | 56.4 | Low | 183 Ų | 183 | 138.1 Ų | 138.1 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | | | trans | -57.6 | 103.6 | 174.5 | -167.8 | 171.6 | 170.2 | 0 | 0 | 108.1 | Q104 A108 | Q104-M106 PolarHBondContact O-N 2.92Å; M106-A108 PolarHBondContact O-N 2.93Å; M106-A108 VanDerWaalsContact O-N 3.1Å |
| 107 | A | 57.5 | Low | 56.5 | Low | 83 Ų | 83 | 134.7 Ų | 134.7 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | | | trans | -65.5 | 112.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | T105 | T105-A107 PolarHBondContact O-N 3.02Š|
| 108 | A | 57.8 | Low | 56.1 | Low | 76 Ų | 76 | 134.7 Ų | 134.7 | 63% | 0.628 | 78% | 0.778 | S | S | * | * | | | trans | -63.4 | 140.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | M106 G110 | M106-A108 PolarHBondContact O-N 2.93Å; M106-A108 VanDerWaalsContact O-N 3.1Å; A108-G110 PolarHBondContact O-N 3.1Å |
| 109 | Y | 45.3 | Very low | 55.9 | Low | 253 Ų | 253 | 136.4 Ų | 136.4 | 99% | 0.992 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49 | 103.5 | -174.5 | -148.6 | -99.4 | 0 | 0 | 0 | 111 | | |
| 110 | G | 60 | Low | 55.4 | Low | 74 Ų | 74 | 140.6 Ų | 140.6 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.2 | 6.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 119 | A108 | A108-G110 PolarHBondContact O-N 3.1Š|
| 111 | Q | 43.4 | Very low | 54.9 | Low | 160 Ų | 160 | 138.8 Ų | 138.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -106.5 | 116.8 | 178.7 | -72.5 | -70.7 | -7.2 | 0 | 0 | 113.4 | | |
| 112 | T | 58.1 | Low | 54.8 | Low | 113 Ų | 113 | 139.3 Ų | 139.3 | 69% | 0.693 | 79% | 0.793 | S | S | * | * | | | trans | -87.6 | 105.6 | 167.7 | 46.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 113 | Q | 51.2 | Low | 54.7 | Low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -98 | 103.3 | 172.6 | -161.9 | 170.7 | 4.8 | 0 | 0 | 108.9 | T115 | Q113-T115 PolarHBondContact O-N 3.02Å; Q113-T115 VanDerWaalsContact O-N 3.17Å |
| 114 | F | 55.6 | Low | 54 | Low | 187 Ų | 187 | 143.9 Ų | 143.9 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | | | trans | -75.7 | 100.4 | 173.7 | -66.3 | -80.7 | 0 | 0 | 0 | 109.5 | T116 | F114-T116 PolarHBondContact O-N 3.22Š|
| 115 | T | 51.9 | Low | 54.4 | Low | 106 Ų | 106 | 139.4 Ų | 139.4 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | | | trans | -73.4 | 112 | 169.1 | -77.1 | 0 | 0 | 0 | 0 | 109.7 | Q113 G117 | Q113-T115 PolarHBondContact O-N 3.02Å; Q113-T115 VanDerWaalsContact O-N 3.17Å; T115-G117 PolarHBondContact O-N 3.07Å |
| 116 | T | 59.3 | Low | 54.3 | Low | 144 Ų | 144 | 139.6 Ų | 139.6 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 108 | 165.7 | 168 | 0 | 0 | 0 | 0 | 109.1 | F114 | F114-T116 PolarHBondContact O-N 3.22Š|
| 117 | G | 58.1 | Low | 54 | Low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.5 | 2.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117 | T115 | T115-G117 PolarHBondContact O-N 3.07Š|
| 118 | M | 50.8 | Low | 54.2 | Low | 158 Ų | 158 | 140.9 Ų | 140.9 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 118.1 | 170.9 | -60.7 | -66.8 | -76.7 | 0 | 0 | 108.1 | Q120 | M118-Q120 PolarHBondContact O-N 2.94Å; M118-Q120 VanDerWaalsContact O-N 3.08Å |
| 119 | Q | 58.8 | Low | 54.1 | Low | 194 Ų | 194 | 145.8 Ų | 145.8 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 120.2 | 164.8 | -72.2 | -178.1 | 3.5 | 0 | 0 | 106.9 | A121 | Q119-A121 PolarHBondContact O-N 3.17Š|
| 120 | Q | 49.6 | Very low | 54.7 | Low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 118.5 | 172.9 | -67.4 | -172.7 | 10.4 | 0 | 0 | 106.6 | M118 T122 | M118-Q120 PolarHBondContact O-N 2.94Å; M118-Q120 VanDerWaalsContact O-N 3.08Å; Q120-T122 PolarHBondContact O-N 3.32Å |
| 121 | A | 53.9 | Low | 54.7 | Low | 92 Ų | 92 | 137.8 Ų | 137.8 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 128.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q119 A123 | Q119-A121 PolarHBondContact O-N 3.17Å; A121-A123 PolarHBondContact O-N 3.16Å |
| 122 | T | 55.6 | Low | 55.3 | Low | 129 Ų | 129 | 138.3 Ų | 138.3 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -42 | 118.1 | 171.6 | -65.8 | 0 | 0 | 0 | 0 | 108.4 | Q120 Y124 | Q120-T122 PolarHBondContact O-N 3.32Å; T122-Y124 PolarHBondContact O-N 3.38Å; T122-Y124 VanDerWaalsContact O-N 3.1Å |
| 123 | A | 59.4 | Low | 55.1 | Low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -48.8 | 123.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | A121 A125 | A121-A123 PolarHBondContact O-N 3.16Å; A123-A125 PolarHBondContact O-N 2.89Å |
| 124 | Y | 41.8 | Very low | 55 | Low | 229 Ų | 229 | 139.7 Ų | 139.7 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | trans | -49 | 114.1 | 178.6 | -77.9 | -90 | 0 | 0 | 0 | 108.3 | T122 T126 | T122-Y124 PolarHBondContact O-N 3.38Å; T122-Y124 VanDerWaalsContact O-N 3.1Å; Y124-T126 PolarHBondContact O-N 3.08Å; Y124-T126 VanDerWaalsContact O-N 3.14Å |
| 125 | A | 59.8 | Low | 55 | Low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 122 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | A123 Y127 | A123-A125 PolarHBondContact O-N 2.89Å; A125-Y127 PolarHBondContact O-N 3.19Å; A125-Y127 VanDerWaalsContact O-N 3.08Å |
| 126 | T | 58 | Low | 55.1 | Low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.2 | 168.5 | -87.6 | 0 | 0 | 0 | 0 | 107.3 | Y124 P128 | Y124-T126 PolarHBondContact O-N 3.08Å; Y124-T126 VanDerWaalsContact O-N 3.14Å; T126-P128 WeakPolarHBondContact O-CD 3.25Å |
| 127 | Y | 47 | Very low | 55.2 | Low | 188 Ų | 188 | 134 Ų | 134 | 74% | 0.737 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 121.9 | 174.1 | -163.1 | -94.4 | 0 | 0 | 0 | 107.5 | A125 Q129 | A125-Y127 PolarHBondContact O-N 3.19Å; A125-Y127 VanDerWaalsContact O-N 3.08Å; Y127-Q129 PolarHBondContact O-N 3.01Å; Y127-Q129 VanDerWaalsContact O-N 3.08Å |
| 128 | P | 62.9 | Low | 54.9 | Low | 105 Ų | 105 | 135.7 Ų | 135.7 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 118.6 | 173.3 | 25.6 | -29.7 | 0 | 0 | 0 | 106.6 | T126 | T126-P128 WeakPolarHBondContact O-CD 3.25Š|
| 129 | Q | 56.1 | Low | 54.8 | Low | 178 Ų | 178 | 136.7 Ų | 136.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 126.7 | 177.5 | -76.9 | -172.1 | 9.8 | 0 | 0 | 108.2 | Y127 G131 | Y127-Q129 PolarHBondContact O-N 3.01Å; Y127-Q129 VanDerWaalsContact O-N 3.08Å; Q129-G131 PolarHBondContact O-N 3.35Å |
| 130 | P | 56.3 | Low | 54.7 | Low | 105 Ų | 105 | 129.4 Ų | 129.4 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 119.1 | 171.2 | 22.9 | -28.6 | 0 | 0 | 0 | 106.7 | | |
| 131 | G | 61.1 | Low | 54.9 | Low | 55 Ų | 55 | 124.8 Ų | 124.8 | 57% | 0.567 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 143.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q129 | Q129-G131 PolarHBondContact O-N 3.35Š|
| 132 | Q | 56.3 | Low | 55 | Low | 171 Ų | 171 | 127.9 Ų | 127.9 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | | | trans | 93.4 | 161.3 | 155.5 | -46.9 | -47.6 | -39.6 | 0 | 0 | 116.6 | | |
| 133 | P | 53.1 | Low | 54.7 | Low | 97 Ų | 97 | 131 Ų | 131 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | | | cis | -138.9 | 40.6 | -27.7 | 28 | -4.5 | 0 | 0 | 0 | 111.2 | G135 | P133-G135 PolarHBondContact O-N 3.03Š|
| 134 | Y | 49.3 | Very low | 54.4 | Low | 222 Ų | 222 | 132.1 Ų | 132.1 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | | | trans | -97.9 | 66.8 | -179.1 | -72.2 | -83.4 | 0 | 0 | 0 | 111.4 | I136 | Y134-I136 PolarHBondContact O-N 3.24Š|
| 135 | G | 56.2 | Low | 55 | Low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 121.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P133 S137 | P133-G135 PolarHBondContact O-N 3.03Å; G135-S137 PolarHBondContact O-N 3Å; G135-S137 VanDerWaalsContact O-N 3.1Å |
| 136 | I | 54.7 | Low | 54.6 | Low | 147 Ų | 147 | 126.4 Ų | 126.4 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 119.3 | 167.3 | -59.6 | 169.1 | 0 | 0 | 0 | 106.1 | Y134 S138 Y139 | Y134-I136 PolarHBondContact O-N 3.24Å; I136-S138 PolarHBondContact O-N 3.34Å; I136-S138 VanDerWaalsContact O-N 3.14Å; I136-Y139 HydrophobicContact CG2-CD2 4.29Å; I136-Y139 HydrophobicContact CG2-CE2 4.44Å |
| 137 | S | 60.6 | Low | 54.5 | Low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 124.9 | 170.7 | -58 | 0 | 0 | 0 | 0 | 107.9 | G135 Y139 | G135-S137 PolarHBondContact O-N 3Å; G135-S137 VanDerWaalsContact O-N 3.1Å; S137-Y139 PolarHBondContact O-N 3.35Å |
| 138 | S | 51.7 | Low | 54.9 | Low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 119.6 | 177 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | I136 G140 A141 | I136-S138 PolarHBondContact O-N 3.34Å; I136-S138 VanDerWaalsContact O-N 3.14Å; S138-G140 PolarHBondContact O-N 2.78Å; S138-A141 PolarHBondContact O-N 3.27Å |
| 139 | Y | 48.8 | Very low | 54.6 | Low | 179 Ų | 179 | 127.8 Ų | 127.8 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 14 | -176.6 | -108.2 | -92.7 | 0 | 0 | 0 | 113.8 | I136 S137 W143 | I136-Y139 HydrophobicContact CG2-CD2 4.29Å; I136-Y139 HydrophobicContact CG2-CE2 4.44Å; S137-Y139 PolarHBondContact O-N 3.35Å; Y139-W143 VanDerWaalsContact O-CD1 3.28Å |
| 140 | G | 55.8 | Low | 54.1 | Low | 41 Ų | 41 | 124.6 Ų | 124.6 | 42% | 0.423 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | -21.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S138 | S138-G140 PolarHBondContact O-N 2.78Š|
| 141 | A | 55.1 | Low | 54 | Low | 93 Ų | 93 | 122.8 Ų | 122.8 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -13.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S138 | S138-A141 PolarHBondContact O-N 3.27Š|
| 142 | L | 55.8 | Low | 53.5 | Low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -5 | 179.2 | -67.3 | 174.4 | 0 | 0 | 0 | 113.7 | A144 | L142-A144 PolarHBondContact O-N 3.14Š|
| 143 | W | 49.5 | Very low | 53.3 | Low | 195 Ų | 195 | 126.1 Ų | 126.1 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | | | trans | -89.9 | 92.1 | 168.6 | -63.8 | 99.1 | 0 | 0 | 0 | 108.5 | Y139 G145 | Y139-W143 VanDerWaalsContact O-CD1 3.28Å; W143-G145 VanDerWaalsContact C-N 3.29Å; W143-G145 PolarHBondContact O-N 3.25Å |
| 144 | A | 51.9 | Low | 52.9 | Low | 112 Ų | 112 | 130.5 Ų | 130.5 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 96.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L142 | L142-A144 PolarHBondContact O-N 3.14Š|
| 145 | G | 55.2 | Low | 52.9 | Low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146 | 22.2 | 173 | 0 | 0 | 0 | 0 | 0 | 119.7 | W143 | W143-G145 VanDerWaalsContact C-N 3.29Å; W143-G145 PolarHBondContact O-N 3.25Å |
| 146 | I | 51.6 | Low | 52.6 | Low | 134 Ų | 134 | 130.5 Ų | 130.5 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | -112.5 | 97.4 | 159.8 | 65.4 | 150.1 | 0 | 0 | 0 | 111.5 | T148 | I146-T148 PolarHBondContact O-N 2.95Š|
| 147 | K | 55.3 | Low | 51.7 | Low | 185 Ų | 185 | 128.2 Ų | 128.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -75.9 | 100.6 | 157.9 | -61.8 | 165.8 | -179.8 | -81.9 | 0 | 105.3 | | |
| 148 | T | 55.2 | Low | 51.1 | Low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -109.2 | 70.9 | 160.6 | -49.4 | 0 | 0 | 0 | 0 | 106.6 | I146 | I146-T148 PolarHBondContact O-N 2.95Š|
| 149 | E | 57.6 | Low | 51.2 | Low | 149 Ų | 149 | 128.3 Ų | 128.3 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -54.5 | 142.3 | 157.9 | 59.5 | -154.9 | 128.2 | 0 | 0 | 110 | | |
| 150 | S | 45.2 | Very low | 51.2 | Low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 61.5 | 117.8 | 148.4 | -171.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 151 | G | 54.8 | Low | 51.2 | Low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -50.5 | 145.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 152 | L | 49.3 | Very low | 51.3 | Low | 171 Ų | 171 | 131.3 Ų | 131.3 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | -131.2 | 110.4 | 155.9 | -74.4 | 171.3 | 0 | 0 | 0 | 106.9 | Q154 | L152-Q154 PolarHBondContact O-N 3.43Å; L152-Q154 VanDerWaalsContact O-N 3.17Å |
| 153 | S | 53 | Low | 51.2 | Low | 125 Ų | 125 | 132.5 Ų | 132.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -45.1 | 115.8 | 171.5 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | S155 | S153-S155 PolarHBondContact O-N 3.25Š|
| 154 | Q | 43.7 | Very low | 51.6 | Low | 188 Ų | 188 | 130.2 Ų | 130.2 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | -72.3 | 102 | 170.3 | -165.9 | 173.9 | 2.1 | 0 | 0 | 107.8 | L152 Q156 | L152-Q154 PolarHBondContact O-N 3.43Å; L152-Q154 VanDerWaalsContact O-N 3.17Å; Q154-Q156 PolarHBondContact O-N 3.07Å; Q154-Q156 VanDerWaalsContact O-N 3.11Å |
| 155 | S | 49.5 | Very low | 51.5 | Low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -48.7 | 112.9 | 169.8 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | S153 S157 | S153-S155 PolarHBondContact O-N 3.25Å; S155-S157 PolarHBondContact O-N 2.92Å |
| 156 | Q | 49.9 | Very low | 51.1 | Low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -76.1 | 102.6 | 166.3 | -74.7 | -168.2 | -26.3 | 0 | 0 | 107.8 | Q154 P158 | Q154-Q156 PolarHBondContact O-N 3.07Å; Q154-Q156 VanDerWaalsContact O-N 3.11Å; Q156-P158 WeakPolarHBondContact O-CD 3.28Å |
| 157 | S | 36.3 | Very low | 51.1 | Low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -66.9 | 122.8 | 171.4 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | S155 G159 | S155-S157 PolarHBondContact O-N 2.92Å; S157-G159 PolarHBondContact O-N 3.22Å; S157-G159 VanDerWaalsContact O-N 3.14Å |
| 158 | P | 48.9 | Very low | 51.1 | Low | 132 Ų | 132 | 131.5 Ų | 131.5 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 105.7 | 176.8 | -10.3 | 26.3 | 0 | 0 | 0 | 109.5 | Q156 | Q156-P158 WeakPolarHBondContact O-CD 3.28Š|
| 159 | G | 53.9 | Low | 50.8 | Low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.8 | 42.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | S157 | S157-G159 PolarHBondContact O-N 3.22Å; S157-G159 VanDerWaalsContact O-N 3.14Å |
| 160 | Q | 47.9 | Very low | 50.7 | Low | 169 Ų | 169 | 134.5 Ų | 134.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | -134.7 | 97.5 | 156 | -143.8 | 178.4 | 19.8 | 0 | 0 | 111.4 | | |
| 161 | T | 56.2 | Low | 51 | Low | 144 Ų | 144 | 132.1 Ų | 132.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -69 | 128.6 | 159.4 | 50.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 162 | G | 56.7 | Low | 50.6 | Low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | 159.3 | -11.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 163 | F | 53 | Low | 50.6 | Low | 181 Ų | 181 | 133.1 Ų | 133.1 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -125.6 | 128.3 | 178.3 | -63.9 | -78.7 | 0 | 0 | 0 | 111.7 | S165 | F163-S165 PolarHBondContact O-N 3.24Š|
| 164 | L | 58.2 | Low | 50.2 | Low | 147 Ų | 147 | 135.9 Ų | 135.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -56.5 | 104.9 | 175.9 | -70.2 | 148.2 | 0 | 0 | 0 | 109.5 | Y166 | L164-Y166 HydrophobicContact CB-CE2 4.29Å; L164-Y166 PolarHBondContact O-N 2.98Å |
| 165 | S | 49.4 | Very low | 50.2 | Low | 121 Ų | 121 | 133.2 Ų | 133.2 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -68.7 | 106.4 | 165.3 | -71.7 | 0 | 0 | 0 | 0 | 108.7 | F163 G167 | F163-S165 PolarHBondContact O-N 3.24Å; S165-G167 VanDerWaalsContact C-N 3.27Å; S165-G167 PolarHBondContact O-N 3.21Å |
| 166 | Y | 46.9 | Very low | 50.6 | Low | 205 Ų | 205 | 131.6 Ų | 131.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -73.5 | 86.3 | 166 | -66.3 | -83.7 | 0 | 0 | 0 | 108.5 | L164 T168 | L164-Y166 HydrophobicContact CB-CE2 4.29Å; L164-Y166 PolarHBondContact O-N 2.98Å; Y166-T168 PolarHBondContact O-N 2.9Å |
| 167 | G | 51.8 | Low | 50.5 | Low | 62 Ų | 62 | 131.6 Ų | 131.6 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | trans | -65 | 123.3 | 165 | 0 | 0 | 0 | 0 | 0 | 108.9 | S165 S169 | S165-G167 VanDerWaalsContact C-N 3.27Å; S165-G167 PolarHBondContact O-N 3.21Å; G167-S169 PolarHBondContact O-N 2.86Å |
| 168 | T | 55.8 | Low | 51.3 | Low | 137 Ų | 137 | 130.8 Ų | 130.8 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -61.8 | 102.3 | 169.3 | 54.1 | 0 | 0 | 0 | 0 | 108.3 | Y166 | Y166-T168 PolarHBondContact O-N 2.9Š|
| 169 | S | 49.3 | Very low | 51.6 | Low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -143.4 | 76.3 | 176.4 | -78 | 0 | 0 | 0 | 0 | 110 | G167 G171 | G167-S169 PolarHBondContact O-N 2.86Å; S169-G171 VanDerWaalsContact C-N 3.34Å; S169-G171 PolarHBondContact O-N 3.41Å |
| 170 | F | 54.1 | Low | 51.3 | Low | 226 Ų | 226 | 137.3 Ų | 137.3 | 99% | 0.991 | 80% | 0.796 | S | S | * | * | | | trans | -93 | 77.3 | 157.2 | -66.8 | -76.7 | 0 | 0 | 0 | 107.9 | | |
| 171 | G | 52.5 | Low | 51.3 | Low | 60 Ų | 60 | 134.5 Ų | 134.5 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | | | trans | -141.4 | 122 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | S169 | S169-G171 VanDerWaalsContact C-N 3.34Å; S169-G171 PolarHBondContact O-N 3.41Å |
| 172 | T | 46.9 | Very low | 50.7 | Low | 137 Ų | 137 | 138.9 Ų | 138.9 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127.4 | -180 | 50.2 | 0 | 0 | 0 | 0 | 110 | | |
| 173 | P | 49 | Very low | 50.7 | Low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.9 | 172.7 | 24.6 | -30.5 | 0 | 0 | 0 | 110.3 | | |
| 174 | Q | 44.8 | Very low | 50.8 | Low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.7 | -176.9 | -170.7 | 168.5 | -17.2 | 0 | 0 | 110.5 | G176 | Q174-G176 PolarHBondContact O-N 3.15Š|
| 175 | P | 44 | Very low | 50.4 | Low | 132 Ų | 132 | 148.6 Ų | 148.6 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -71.2 | 115.2 | 178.6 | -8.1 | 22.6 | 0 | 0 | 0 | 108.9 | | |
| 176 | G | 57.5 | Low | 50.5 | Low | 72 Ų | 72 | 150.1 Ų | 150.1 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | trans | 134.4 | 56 | 170 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q174 | Q174-G176 PolarHBondContact O-N 3.15Š|
| 177 | Q | 46.8 | Very low | 50.7 | Low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | | | trans | -132.1 | 112.3 | 150.3 | -71.4 | -165.1 | -8.3 | 0 | 0 | 108.5 | | |
| 178 | A | 53.3 | Low | 50.6 | Low | 81 Ų | 81 | 152 Ų | 152 | 67% | 0.669 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 143.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y180 | A178-Y180 PolarHBondContact O-N 3.1Š|
| 179 | P | 55.2 | Low | 50.3 | Low | 128 Ų | 128 | 152.9 Ų | 152.9 | 83% | 0.831 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -64 | 120.2 | -179.9 | 24.8 | -31.6 | 0 | 0 | 0 | 110 | | |
| 180 | Y | 47.1 | Very low | 50.3 | Low | 217 Ų | 217 | 155.9 Ų | 155.9 | 85% | 0.851 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 136.4 | 171.3 | -87.6 | -92.4 | 0 | 0 | 0 | 110.2 | A178 | A178-Y180 PolarHBondContact O-N 3.1Š|
| 181 | S | 48.5 | Very low | 50.1 | Low | 110 Ų | 110 | 150.9 Ų | 150.9 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.9 | -171.9 | -43.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 182 | Y | 43.1 | Very low | 49.9 | Very low | 237 Ų | 237 | 157.8 Ų | 157.8 | 93% | 0.929 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 132.1 | 165.8 | -101.9 | -98 | 0 | 0 | 0 | 110.5 | | |
| 183 | Q | 57 | Low | 50.1 | Low | 181 Ų | 181 | 159.6 Ų | 159.6 | 85% | 0.846 | 86% | 0.86 | S | S | * | * | | | trans | -105 | 140.7 | 162.8 | -62.1 | -177.9 | 8.1 | 0 | 0 | 108.2 | | |
| 184 | M | 55 | Low | 50.2 | Low | 266 Ų | 266 | 163 Ų | 163 | 100% | 1.31 | 87% | 0.866 | S | S | * | * | | | trans | -78.7 | 0 | 167.9 | -70.2 | -147.4 | -67.6 | 0 | 0 | 111 | | |