| 1 | M | 38.5 | Very low | 40 | Very low | 232 Ų | 232 | 133.5 Ų | 133.5 | 100% | 1.143 | 82% | 0.82 | S | S | * | * | | | | 0 | 102.7 | 0 | -168 | 177.1 | -71 | 0 | 0 | 106.5 | | |
| 2 | A | 37.7 | Very low | 40 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | | | trans | -84.2 | 115.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | C4 | A2-C4 PolarHBondContact O-N 3.47Š|
| 3 | C | 38.6 | Very low | 40.2 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -84.5 | 106 | 175.8 | -60.6 | 0 | 0 | 0 | 0 | 108.3 | S5 | C3-S5 PolarHBondContact O-N 2.86Š|
| 4 | C | 44.2 | Very low | 40.8 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -85.6 | 99.3 | 169.8 | -58.4 | 0 | 0 | 0 | 0 | 108.2 | A2 | A2-C4 PolarHBondContact O-N 3.47Š|
| 5 | S | 36.8 | Very low | 40.7 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -89 | 117.9 | 165.7 | -77.6 | 0 | 0 | 0 | 0 | 109.2 | C3 | C3-S5 PolarHBondContact O-N 2.86Š|
| 6 | T | 41.9 | Very low | 41.1 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | trans | -82.1 | 111.5 | 172.6 | 52.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 7 | S | 38.5 | Very low | 41.5 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | | | trans | -103.7 | 119.7 | 166.8 | 67.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 8 | F | 43 | Very low | 41.4 | Very low | 213 Ų | 213 | 122.6 Ų | 122.6 | 93% | 0.934 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -3.5 | 123.6 | 172.6 | -86.2 | -103.2 | 0 | 0 | 0 | 116.8 | | |
| 9 | C | 43.3 | Very low | 41.6 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 69% | 0.689 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 89.6 | 97.4 | -166.6 | -46.8 | 0 | 0 | 0 | 0 | 111.1 | F11 | C9-F11 PolarHBondContact O-N 3.05Å; C9-F11 HydrophobicContact CB-CD2 4.28Å |
| 10 | G | 40.5 | Very low | 41.8 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -62.4 | 63.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 11 | F | 37.1 | Very low | 41.6 | Very low | 167 Ų | 167 | 121.3 Ų | 121.3 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | -110.4 | 128.8 | 166.8 | -65 | -78.1 | 0 | 0 | 0 | 108.4 | C9 T13 | C9-F11 PolarHBondContact O-N 3.05Å; C9-F11 HydrophobicContact CB-CD2 4.28Å; F11-T13 PolarHBondContact O-N 3.06Å |
| 12 | P | 39.4 | Very low | 41.9 | Very low | 129 Ų | 129 | 114.5 Ų | 114.5 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -68.1 | 105.4 | 176.5 | 27.6 | -31.1 | 0 | 0 | 0 | 108.5 | C14 | P12-C14 PolarHBondContact O-N 3.11Š|
| 13 | T | 43.4 | Very low | 42.3 | Very low | 101 Ų | 101 | 116.6 Ų | 116.6 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | | | trans | -79.5 | 103.7 | 168.5 | 47.4 | 0 | 0 | 0 | 0 | 108.5 | F11 S15 | F11-T13 PolarHBondContact O-N 3.06Å; T13-S15 PolarHBondContact O-N 3.44Å |
| 14 | C | 48 | Very low | 42 | Very low | 114 Ų | 114 | 120 Ų | 120 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -77.7 | 107.5 | 161.2 | 49.3 | 0 | 0 | 0 | 0 | 108.2 | P12 T16 | P12-C14 PolarHBondContact O-N 3.11Å; C14-T16 PolarHBondContact O-N 2.85Å |
| 15 | S | 39 | Very low | 41.8 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -66.2 | 112.7 | 167.4 | -68 | 0 | 0 | 0 | 0 | 108.3 | T13 G17 | T13-S15 PolarHBondContact O-N 3.44Å; S15-G17 PolarHBondContact O-N 3.48Å |
| 16 | T | 47 | Very low | 41.5 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | trans | -70.1 | 76.4 | 173.8 | -45.9 | 0 | 0 | 0 | 0 | 109.6 | C14 | C14-T16 PolarHBondContact O-N 2.85Š|
| 17 | G | 48 | Very low | 41.1 | Very low | 79 Ų | 79 | 121.2 Ų | 121.2 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | | | trans | -127.3 | 59.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S15 | S15-G17 PolarHBondContact O-N 3.48Š|
| 18 | G | 40 | Very low | 40.8 | Very low | 57 Ų | 57 | 122.2 Ų | 122.2 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 165.9 | 121.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | C20 | G18-C20 PolarHBondContact O-N 3.3Š|
| 19 | T | 44.8 | Very low | 40.5 | Very low | 152 Ų | 152 | 117.7 Ų | 117.7 | 93% | 0.933 | 77% | 0.77 | S | S | * | * | | | trans | -62.6 | 96.6 | 164.9 | 41.9 | 0 | 0 | 0 | 0 | 108.6 | G21 | T19-G21 PolarHBondContact O-N 3.37Š|
| 20 | C | 46.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 118 Ų | 118 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -77.7 | 107.7 | 161.3 | 49.6 | 0 | 0 | 0 | 0 | 107.3 | G18 | G18-C20 PolarHBondContact O-N 3.3Š|
| 21 | G | 36.3 | Very low | 39.9 | Very low | 65 Ų | 65 | 121.3 Ų | 121.3 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | trans | -53.5 | 143.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | T19 | T19-G21 PolarHBondContact O-N 3.37Š|
| 22 | A | 45.9 | Very low | 39.6 | Very low | 90 Ų | 90 | 119 Ų | 119 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -48.9 | 147.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 23 | N | 45.1 | Very low | 39.2 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | 101.5 | 126.1 | 178.9 | -53.3 | -59.3 | 0 | 0 | 0 | 114.3 | | |
| 24 | F | 33.8 | Very low | 38.8 | Very low | 188 Ų | 188 | 119.4 Ų | 119.4 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | 88.5 | 57.6 | 175.9 | -50.8 | -76.6 | 0 | 0 | 0 | 117.5 | Q26 | F24-Q26 VanDerWaalsContact C-N 3.29Å; F24-Q26 PolarHBondContact O-N 3.19Å |
| 25 | C | 38.8 | Very low | 38.2 | Very low | 137 Ų | 137 | 119.2 Ų | 119.2 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | | | trans | -70.1 | 94.9 | 135.9 | -76.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 26 | Q | 31.5 | Very low | 37.9 | Very low | 144 Ų | 144 | 120.9 Ų | 120.9 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | | | trans | -70.1 | 138.9 | 162.8 | -76.9 | -144.3 | -56.8 | 0 | 0 | 109.4 | F24 T28 | F24-Q26 VanDerWaalsContact C-N 3.29Å; F24-Q26 PolarHBondContact O-N 3.19Å; Q26-T28 PolarHBondContact O-N 3.4Å |
| 27 | P | 32.3 | Very low | 37.4 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -85.5 | 41.4 | -163.4 | 37.5 | -37.7 | 0 | 0 | 0 | 113 | | |
| 28 | T | 33.1 | Very low | 36.4 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | -106.8 | 5.4 | -176 | -13.7 | 0 | 0 | 0 | 0 | 114.1 | Q26 | Q26-T28 PolarHBondContact O-N 3.4Š|
| 29 | C | 36.9 | Very low | 36 | Very low | 118 Ų | 118 | 126 Ų | 126 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -97.4 | 3.1 | 172.1 | 61.8 | 0 | 0 | 0 | 0 | 114 | | |
| 30 | C | 41.3 | Very low | 35.5 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | trans | -118.1 | 65.5 | 178.4 | -55.2 | 0 | 0 | 0 | 0 | 111 | | |
| 31 | Q | 30.8 | Very low | 34.9 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -145.6 | 114.3 | 168.9 | -61.5 | -88 | -21.5 | 0 | 0 | 104.5 | | |
| 32 | T | 30.5 | Very low | 34.5 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | S | Bend | cis | -164.6 | 114.9 | 17.2 | -63.3 | 0 | 0 | 0 | 0 | 106 | | |
| 33 | S | 29.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 161.9 | 10.8 | 157.7 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 34 | C | 34.8 | Very low | 33.2 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -123.2 | 103.3 | 170.6 | 39.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 35 | C | 36.1 | Very low | 33.2 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | 80.8 | 117.9 | 171 | -46.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 36 | Q | 31.8 | Very low | 32.8 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | | -161.3 | 178.9 | 70.7 | -33.2 | -77.4 | -67.7 | 0 | 0 | 111.5 | | |
| 37 | P | 36.9 | Very low | 32.9 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | S | Bend | cis | -127.2 | 156.7 | -0.6 | 35.7 | -15.9 | 0 | 0 | 0 | 113.6 | | |
| 38 | I | 27.2 | Very low | 32.8 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | S | Bend | | -148.7 | 129 | 73.8 | -74.7 | 162.1 | 0 | 0 | 0 | 110.7 | | |
| 39 | S | 31.2 | Very low | 32.6 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | 58 | 96 | 162.9 | -75.4 | 0 | 0 | 0 | 0 | 120.6 | Q41 | S39-Q41 PolarHBondContact O-N 2.85Š|
| 40 | I | 35.6 | Very low | 32.4 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | trans | -50.1 | 122.4 | 137 | -63.6 | -79.7 | 0 | 0 | 0 | 109.4 | | |
| 41 | Q | 34.4 | Very low | 31.9 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | trans | -171.7 | 71.8 | 137.6 | -106.7 | -97.5 | 74.5 | 0 | 0 | 110.4 | S39 | S39-Q41 PolarHBondContact O-N 2.85Š|
| 42 | T | 27.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | S | Bend | | -160.4 | 112.3 | 124.9 | -11.2 | 0 | 0 | 0 | 0 | 109 | C44 | T42-C44 PolarHBondContact O-N 3.26Š|
| 43 | S | 33 | Very low | 32.1 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -27.4 | 118.4 | 173.9 | 51.6 | 0 | 0 | 0 | 0 | 116.6 | C45 | S43-C45 PolarHBondContact O-N 2.87Š|
| 44 | C | 28.9 | Very low | 32.1 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -67.6 | 118.5 | 159.7 | -32.2 | 0 | 0 | 0 | 0 | 109.2 | T42 | T42-C44 PolarHBondContact O-N 3.26Š|
| 45 | C | 33.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | 26.2 | 128.3 | 147.4 | -51.6 | 0 | 0 | 0 | 0 | 118.8 | S43 | S43-C45 PolarHBondContact O-N 2.87Š|
| 46 | Q | 30.2 | Very low | 31.9 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | | -178 | -177 | 63.7 | -120.9 | -161.9 | -64.7 | 0 | 0 | 109.4 | | |
| 47 | P | 35.4 | Very low | 32.2 | Very low | 93 Ų | 93 | 133 Ų | 133 | 60% | 0.604 | 79% | 0.792 | S | S | * | * | | | cis | -140.2 | 143.1 | -9.3 | 34.8 | -14.8 | 0 | 0 | 0 | 115 | | |
| 48 | T | 28.7 | Very low | 31.9 | Very low | 137 Ų | 137 | 131 Ų | 131 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -158.7 | 90.5 | 142.3 | -22.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 49 | C | 29.7 | Very low | 32.8 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -134 | 51.3 | 162.3 | 45 | 0 | 0 | 0 | 0 | 109.1 | | |
| 50 | L | 32.6 | Very low | 32.7 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -85.6 | 103.1 | 148.7 | -86.8 | 128.8 | 0 | 0 | 0 | 106.4 | | |
| 51 | Q | 30.9 | Very low | 33.3 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | | 163.1 | 137.1 | 117.1 | -86.9 | -179.1 | 87.5 | 0 | 0 | 111.8 | | |
| 52 | T | 30.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | | | trans | -37.9 | 162.8 | 159.9 | 29.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 53 | S | 34.3 | Very low | 33.9 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | 78.1 | 133.2 | 178.5 | 77.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 54 | G | 30.7 | Very low | 34.4 | Very low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | | | cis | 145.1 | 129.6 | 29.6 | 0 | 0 | 0 | 0 | 0 | 102.3 | E56 | G54-E56 PolarHBondContact O-N 3.4Å; G54-E56 VanDerWaalsContact O-N 3.14Å |
| 55 | C | 36.6 | Very low | 35.4 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 92% | 0.919 | 81% | 0.814 | S | S | * | * | | | trans | -68.3 | 110.1 | 179.3 | 46.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 56 | E | 30.2 | Very low | 35.5 | Very low | 179 Ų | 179 | 124.5 Ų | 124.5 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | | | trans | -148.3 | 120.4 | 154.1 | 55.2 | -162.9 | 127.5 | 0 | 0 | 112.2 | G54 | G54-E56 PolarHBondContact O-N 3.4Å; G54-E56 VanDerWaalsContact O-N 3.14Å |
| 57 | T | 37.3 | Very low | 36 | Very low | 147 Ų | 147 | 119.7 Ų | 119.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -0.7 | 130.4 | 149.9 | -51.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 58 | G | 32.1 | Very low | 36.3 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | trans | 105.4 | 117.5 | 140 | 0 | 0 | 0 | 0 | 0 | 116 | G60 | G58-G60 PolarHBondContact O-N 3.46Š|
| 59 | C | 45.4 | Very low | 37.6 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 99% | 0.993 | 82% | 0.823 | S | S | * | * | | | trans | -59.6 | 123.6 | 165.5 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 60 | G | 29.9 | Very low | 37.9 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -169.3 | 116.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | G58 | G58-G60 PolarHBondContact O-N 3.46Š|
| 61 | I | 46.2 | Very low | 38.2 | Very low | 185 Ų | 185 | 124 Ų | 124 | 95% | 0.949 | 82% | 0.824 | S | S | * | * | | | trans | -70.7 | 134.7 | 173.9 | -61.6 | 168.4 | 0 | 0 | 0 | 108.9 | | |
| 62 | G | 34.4 | Very low | 38.7 | Very low | 75 Ų | 75 | 119 Ų | 119 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | 151.7 | 123.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 63 | G | 42.4 | Very low | 39 | Very low | 73 Ų | 73 | 122.6 Ų | 122.6 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | | | trans | -97.8 | -165.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 64 | S | 41.7 | Very low | 39.2 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | 100.1 | 114 | 159.1 | -41.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 65 | I | 50.9 | Low | 39.8 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 91% | 0.908 | 84% | 0.836 | S | S | * | * | | | | 49.3 | 122 | 129.1 | -47.6 | 178.8 | 0 | 0 | 0 | 119.4 | | |
| 66 | G | 36.2 | Very low | 39.9 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | 131.4 | 125.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 67 | G | 39.3 | Very low | 40.9 | Very low | 65 Ų | 65 | 121.7 Ų | 121.7 | 67% | 0.67 | 84% | 0.839 | S | S | * | * | | | cis | 147.5 | 151.7 | 15.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 68 | S | 42.6 | Very low | 40.9 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | | | trans | 91.3 | 137 | 160.7 | 70.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 69 | I | 55.6 | Low | 41 | Very low | 162 Ų | 162 | 119 Ų | 119 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | | | trans | -86 | 145.9 | -170.6 | -60.4 | 171.9 | 0 | 0 | 0 | 109.1 | | |
| 70 | G | 35.8 | Very low | 40.4 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | -160.7 | 126 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 71 | Y | 38.6 | Very low | 40.7 | Very low | 228 Ų | 228 | 119.4 Ų | 119.4 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | | | trans | -72.3 | 147.6 | -170 | -80.3 | -112 | 0 | 0 | 0 | 114.8 | | |
| 72 | G | 41.6 | Very low | 40.2 | Very low | 68 Ų | 68 | 115.5 Ų | 115.5 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | trans | 80.8 | 111.1 | 137.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 73 | Q | 37.4 | Very low | 40.1 | Very low | 201 Ų | 201 | 122 Ų | 122 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | | | trans | -156.4 | 118.5 | 137.2 | -107.7 | 160.2 | -20.9 | 0 | 0 | 110.9 | | |
| 74 | V | 39.2 | Very low | 39.5 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | -64.3 | 140.7 | 177 | -78.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 75 | G | 42.1 | Very low | 39.2 | Very low | 78 Ų | 78 | 128 Ų | 128 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 68.9 | 106.3 | 144.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 76 | S | 39.8 | Very low | 38.3 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | | -173.3 | 111 | 118.4 | -143.3 | 0 | 0 | 0 | 0 | 110.8 | G78 | S76-G78 PolarHBondContact O-N 3.47Š|
| 77 | S | 49.5 | Very low | 38.1 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | | | trans | -73.7 | 80.8 | 164.7 | -76 | 0 | 0 | 0 | 0 | 109.2 | | |
| 78 | G | 37.4 | Very low | 37.9 | Very low | 54 Ų | 54 | 140.2 Ų | 140.2 | 56% | 0.557 | 81% | 0.808 | S | S | * | * | | | trans | -91.2 | 120.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S76 V80 | S76-G78 PolarHBondContact O-N 3.47Å; G78-V80 PolarHBondContact O-N 3.12Å |
| 79 | A | 35.3 | Very low | 37.4 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | | | trans | -58.1 | 97.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S81 | A79-S81 VanDerWaalsContact C-N 3.34Å; A79-S81 PolarHBondContact O-N 3Å |
| 80 | V | 33.1 | Very low | 36.3 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -65.3 | 99.2 | 166.4 | -96.7 | 0 | 0 | 0 | 0 | 106.9 | G78 S82 | G78-V80 PolarHBondContact O-N 3.12Å; V80-S82 PolarHBondContact O-N 3.07Å |
| 81 | S | 36.1 | Very low | 36.3 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -66.9 | 91.2 | 167.1 | -172.5 | 0 | 0 | 0 | 0 | 107.4 | A79 R83 | A79-S81 VanDerWaalsContact C-N 3.34Å; A79-S81 PolarHBondContact O-N 3Å; S81-R83 PolarHBondContact O-N 3.43Å |
| 82 | S | 34.9 | Very low | 36.1 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -69.3 | 74.3 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 109.5 | V80 T84 | V80-S82 PolarHBondContact O-N 3.07Å; S82-T84 PolarHBondContact O-N 2.95Å; S82-T84 VanDerWaalsContact O-N 3.14Å |
| 83 | R | 32 | Very low | 35.8 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | | | trans | -71.8 | 101.5 | 160.5 | -83.9 | -173.9 | -159.1 | -115.2 | 0.2 | 107 | S81 R85 | S81-R83 PolarHBondContact O-N 3.43Å; R83-R85 VanDerWaalsContact C-N 3.34Å; R83-R85 PolarHBondContact O-N 3.48Å |
| 84 | T | 30.9 | Very low | 35.5 | Very low | 109 Ų | 109 | 140 Ų | 140 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | trans | -58.4 | 100.2 | 165.9 | -52.5 | 0 | 0 | 0 | 0 | 108.1 | S82 W86 | S82-T84 PolarHBondContact O-N 2.95Å; S82-T84 VanDerWaalsContact O-N 3.14Å; T84-W86 PolarHBondContact O-N 2.71Å |
| 85 | R | 35.1 | Very low | 35.5 | Very low | 206 Ų | 206 | 136.6 Ų | 136.6 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | trans | -83.2 | 110.1 | 173.7 | -155.6 | 179 | -79.9 | -103 | 7.2 | 105.6 | R83 C87 | R83-R85 VanDerWaalsContact C-N 3.34Å; R83-R85 PolarHBondContact O-N 3.48Å; R85-C87 PolarHBondContact O-N 3.04Å |
| 86 | W | 32.3 | Very low | 35.1 | Very low | 237 Ų | 237 | 137.3 Ų | 137.3 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | trans | -68.9 | 99.1 | 174.2 | -66.2 | 88.8 | 0 | 0 | 0 | 108 | T84 R88 | T84-W86 PolarHBondContact O-N 2.71Å; W86-R88 PolarHBondContact O-N 2.74Å |
| 87 | C | 30.5 | Very low | 35.2 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | -73.6 | 108.5 | 167.3 | -65.5 | 0 | 0 | 0 | 0 | 107.4 | R85 | R85-C87 PolarHBondContact O-N 3.04Š|
| 88 | R | 36.2 | Very low | 34.6 | Very low | 221 Ų | 221 | 136.2 Ų | 136.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | | | trans | -79 | 134.5 | 167 | -138.7 | -170.9 | -168.1 | -151.8 | 4.6 | 108.3 | W86 | W86-R88 PolarHBondContact O-N 2.74Š|
| 89 | P | 31.5 | Very low | 34.6 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | | | trans | -73 | 132.5 | 179.8 | -4.5 | 21.8 | 0 | 0 | 0 | 110 | | |
| 90 | D | 33.2 | Very low | 34.7 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | 32.3 | 86.4 | 165.5 | -94.2 | -92.6 | 0 | 0 | 0 | 118.1 | R92 | D90-R92 VanDerWaalsContact C-N 3.32Å; D90-R92 PolarHBondContact O-N 3.33Å |
| 91 | C | 34.9 | Very low | 35 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | | | trans | -89.5 | 74 | 149.4 | -79.3 | 0 | 0 | 0 | 0 | 108.9 | V93 | C91-V93 PolarHBondContact O-N 3.14Š|
| 92 | R | 34.2 | Very low | 35.3 | Very low | 208 Ų | 208 | 134 Ų | 134 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | -86.2 | 95.6 | 163.1 | -168 | 169 | -178.9 | 172.7 | -1.6 | 107.8 | D90 | D90-R92 VanDerWaalsContact C-N 3.32Å; D90-R92 PolarHBondContact O-N 3.33Å |
| 93 | V | 35.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | | | trans | -91.4 | 117.9 | 163.4 | 81.7 | 0 | 0 | 0 | 0 | 107.1 | C91 G95 | C91-V93 PolarHBondContact O-N 3.14Å; V93-G95 PolarHBondContact O-N 3.29Å |
| 94 | E | 32.7 | Very low | 35.9 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -63.2 | 131.8 | 171 | -77.2 | -133.5 | 97.2 | 0 | 0 | 109.7 | | |
| 95 | G | 37.4 | Very low | 36.2 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 100.7 | 8.6 | 149 | 0 | 0 | 0 | 0 | 0 | 119.4 | V93 | V93-G95 PolarHBondContact O-N 3.29Š|
| 96 | T | 35.1 | Very low | 36.4 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 57% | 0.571 | 72% | 0.715 | S | S | * | * | | | trans | -138.6 | 116 | 163.7 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | L98 | T96-L98 PolarHBondContact O-N 3Å; T96-L98 VanDerWaalsContact OG1-CD1 3.28Å; T96-L98 WeakPolarHBondContact OG1-CD1 3.28Å |
| 97 | S | 41.7 | Very low | 36.9 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 90% | 0.895 | 69% | 0.691 | S | S | * | * | | | trans | -71.2 | 79.6 | 171.6 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 98 | L | 37.3 | Very low | 37.1 | Very low | 108 Ų | 108 | 115 Ų | 115 | 57% | 0.565 | 68% | 0.675 | S | S | * | * | | | trans | -72.8 | 143.6 | 166 | -90.6 | 87.7 | 0 | 0 | 0 | 109.6 | T96 C102 | T96-L98 PolarHBondContact O-N 3Å; T96-L98 VanDerWaalsContact OG1-CD1 3.28Å; T96-L98 WeakPolarHBondContact OG1-CD1 3.28Å; L98-C102 HydrophobicContact CD2-CB 4.32Å |
| 99 | P | 37.1 | Very low | 37.4 | Very low | 80 Ų | 80 | 109.8 Ų | 109.8 | 52% | 0.519 | 67% | 0.67 | S | S | . | * | | | trans | -61.3 | 150.9 | 174.1 | 23.8 | -30.6 | 0 | 0 | 0 | 111.1 | C101 C102 | P99-C101 PolarHBondContact O-N 2.85Å; P99-C102 PolarHBondContact O-N 3.45Å |
| 100 | P | 37.9 | Very low | 37.9 | Very low | 111 Ų | 111 | 108.1 Ų | 108.1 | 72% | 0.721 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -65.7 | -0.1 | -168.5 | 25 | -34.4 | 0 | 0 | 0 | 115.4 | C102 | P100-C102 PolarHBondContact O-N 3.44Å; P100-C102 VanDerWaalsContact C-N 3.31Å |
| 101 | C | 38.8 | Very low | 38.3 | Very low | 88 Ų | 88 | 104.5 Ų | 104.5 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -74.6 | -16 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | P99 | P99-C101 PolarHBondContact O-N 2.85Š|
| 102 | C | 42.9 | Very low | 38.8 | Very low | 65 Ų | 65 | 102.5 Ų | 102.5 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -87.4 | -14 | 178.6 | -64.1 | 0 | 0 | 0 | 0 | 113.8 | L98 P99 P100 | L98-C102 HydrophobicContact CD2-CB 4.32Å; P99-C102 PolarHBondContact O-N 3.45Å; P100-C102 PolarHBondContact O-N 3.44Å; P100-C102 VanDerWaalsContact C-N 3.31Å |
| 103 | V | 38.8 | Very low | 39 | Very low | 123 Ų | 123 | 100.5 Ų | 100.5 | 75% | 0.745 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -92.8 | -13.7 | -174.6 | -155.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 104 | V | 40.2 | Very low | 39.2 | Very low | 121 Ų | 121 | 101.6 Ų | 101.6 | 73% | 0.733 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -114.2 | 2 | -172.2 | 144.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 105 | S | 36.6 | Very low | 39.5 | Very low | 63 Ų | 63 | 101.3 Ų | 101.3 | 44% | 0.441 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -119.4 | 129.3 | 174.2 | -77.4 | 0 | 0 | 0 | 0 | 109.7 | T107 | S105-T107 WeakPolarHBondContact CB-OG1 3.39Å; S105-T107 PolarHBondContact O-N 2.88Å; S105-T107 PolarHBondContact O-OG1 3.14Å; S105-T107 VanDerWaalsContact CB-OG1 3.25Å |
| 106 | C | 40 | Very low | 39.7 | Very low | 142 Ų | 142 | 108.2 Ų | 108.2 | 96% | 0.959 | 63% | 0.63 | S | S | * | * | | | trans | -64.3 | 55.1 | 168.1 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | P108 | C106-P108 WeakPolarHBondContact O-CD 3.41Š|
| 107 | T | 43.5 | Very low | 39.8 | Very low | 64 Ų | 64 | 107.9 Ų | 107.9 | 39% | 0.393 | 64% | 0.637 | S | S | . | * | | | trans | -92.8 | 114.6 | 178.5 | -31 | 0 | 0 | 0 | 0 | 107 | S105 C111 | S105-T107 WeakPolarHBondContact CB-OG1 3.39Å; S105-T107 PolarHBondContact O-N 2.88Å; S105-T107 PolarHBondContact O-OG1 3.14Å; S105-T107 VanDerWaalsContact CB-OG1 3.25Å; T107-C111 HydrophobicContact CG2-CB 3.7Å |
| 108 | P | 33.3 | Very low | 40 | Very low | 71 Ų | 71 | 108.1 Ų | 108.1 | 46% | 0.461 | 62% | 0.624 | S | S | . | * | | | trans | -60.6 | 145.4 | 171.5 | 22.7 | -29.2 | 0 | 0 | 0 | 109.7 | C106 S110 C111 | C106-P108 WeakPolarHBondContact O-CD 3.41Å; P108-S110 PolarHBondContact O-N 2.8Å; P108-C111 PolarHBondContact O-N 3.39Å |
| 109 | P | 43.6 | Very low | 40 | Very low | 112 Ų | 112 | 107.8 Ų | 107.8 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60 | -16 | -172.2 | 22 | -32.9 | 0 | 0 | 0 | 114.3 | C112 | P109-C112 PolarHBondContact O-N 3.46Å |
| 110 | S | 41.9 | Very low | 40.1 | Very low | 80 Ų | 80 | 109.2 Ų | 109.2 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.8 | -28.5 | 175.3 | 51.1 | 0 | 0 | 0 | 0 | 114 | P108 | P108-S110 PolarHBondContact O-N 2.8Å |
| 111 | C | 42 | Very low | 40 | Very low | 66 Ų | 66 | 108.1 Ų | 108.1 | 45% | 0.446 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -78.4 | -25.4 | 178.5 | -57 | 0 | 0 | 0 | 0 | 112.5 | T107 P108 | T107-C111 HydrophobicContact CG2-CB 3.7Å; P108-C111 PolarHBondContact O-N 3.39Å |
| 112 | C | 44.9 | Very low | 40 | Very low | 69 Ų | 69 | 107.7 Ų | 107.7 | 47% | 0.466 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76 | -28.4 | 179 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | P109 L114 Y115 | P109-C112 PolarHBondContact O-N 3.46Å; C112-L114 VanDerWaalsContact C-N 3.29Å; C112-L114 PolarHBondContact O-N 2.9Å; C112-Y115 WeakPolarHBondContact O-CB 3.25Å; C112-Y115 PolarHBondContact O-N 2.98Å |
| 113 | Q | 38.2 | Very low | 39.6 | Very low | 167 Ų | 167 | 115.4 Ų | 115.4 | 78% | 0.78 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.6 | -28.6 | 177.2 | -91.8 | -157.2 | -36.3 | 0 | 0 | 113.6 | Y115 | Q113-Y115 VanDerWaalsContact C-N 3.33Å |
| 114 | L | 40.3 | Very low | 39.4 | Very low | 135 Ų | 135 | 115.3 Ų | 115.3 | 71% | 0.707 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.5 | -24.6 | 174.8 | -75.8 | 161.4 | 0 | 0 | 0 | 112.6 | C112 Y116 A117 | C112-L114 VanDerWaalsContact C-N 3.29Å; C112-L114 PolarHBondContact O-N 2.9Å; L114-Y116 VanDerWaalsContact C-N 3.28Å; L114-Y116 PolarHBondContact O-N 2.81Å; L114-A117 PolarHBondContact O-N 2.95Å |
| 115 | Y | 38.3 | Very low | 39.1 | Very low | 165 Ų | 165 | 114.6 Ų | 114.6 | 65% | 0.647 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.5 | -26.9 | -179.6 | -161.5 | -98.5 | 0 | 0 | 0 | 112.7 | C112 Q113 A117 C122 | C112-Y115 WeakPolarHBondContact O-CB 3.25Å; C112-Y115 PolarHBondContact O-N 2.98Å; Q113-Y115 VanDerWaalsContact C-N 3.33Å; Y115-A117 PolarHBondContact O-N 3.46Å; Y115-A117 VanDerWaalsContact C-N 3.3Å; Y115-C122 HydrophobicContact CE2-CB 4.49Å |
| 116 | Y | 40.4 | Very low | 39.1 | Very low | 221 Ų | 221 | 122.8 Ų | 122.8 | 87% | 0.867 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -12.1 | 179.7 | -144.2 | -93 | 0 | 0 | 0 | 113.4 | L114 | L114-Y116 VanDerWaalsContact C-N 3.28Å; L114-Y116 PolarHBondContact O-N 2.81Å |
| 117 | A | 37.9 | Very low | 39.2 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -12.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L114 Y115 | L114-A117 PolarHBondContact O-N 2.95Å; Y115-A117 PolarHBondContact O-N 3.46Å; Y115-A117 VanDerWaalsContact C-N 3.3Å |
| 118 | Q | 45.6 | Very low | 39.2 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | | | trans | -141.7 | 58.9 | -173.2 | -149.3 | 160.9 | 29.9 | 0 | 0 | 112.4 | S120 | Q118-S120 PolarHBondContact O-N 3.41Š|
| 119 | A | 37.1 | Very low | 39.3 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 2.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 120 | S | 39.3 | Very low | 38.7 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -9.7 | -174.2 | 40.7 | 0 | 0 | 0 | 0 | 115.7 | Q118 | Q118-S120 PolarHBondContact O-N 3.41Š|
| 121 | C | 36.1 | Very low | 38.5 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 60% | 0.595 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -120.7 | -6.7 | -170.6 | -60.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 122 | C | 39.5 | Very low | 38.4 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 53% | 0.527 | 73% | 0.732 | S | S | . | * | | | trans | -106.7 | 89.1 | -174.3 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | Y115 | Y115-C122 HydrophobicContact CE2-CB 4.49Š|
| 123 | R | 33.8 | Very low | 37.8 | Very low | 228 Ų | 228 | 137.6 Ų | 137.6 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | trans | -68 | 136.2 | 161.2 | -164.6 | 176.7 | 173.9 | -173.4 | -2.1 | 108.4 | S125 | R123-S125 PolarHBondContact O-N 2.69Š|
| 124 | P | 33.9 | Very low | 37.9 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | -74.9 | 88.7 | -171.3 | 28.7 | -33.7 | 0 | 0 | 0 | 110.9 | | |
| 125 | S | 34.6 | Very low | 37.8 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | -90.6 | 111.9 | 163.9 | -61.2 | 0 | 0 | 0 | 0 | 107.3 | R123 C127 | R123-S125 PolarHBondContact O-N 2.69Å; S125-C127 PolarHBondContact O-N 3.18Å |
| 126 | Y | 36.5 | Very low | 37.8 | Very low | 234 Ų | 234 | 131 Ų | 131 | 92% | 0.918 | 76% | 0.756 | S | S | * | * | | | trans | -22.9 | 100.9 | 177.9 | -98.6 | -108 | 0 | 0 | 0 | 114.3 | G128 | Y126-G128 PolarHBondContact O-N 3.31Š|
| 127 | C | 41.7 | Very low | 37.8 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -82.5 | 69.4 | 165.6 | -166.4 | 0 | 0 | 0 | 0 | 108.1 | S125 | S125-C127 PolarHBondContact O-N 3.18Š|
| 128 | G | 44.8 | Very low | 37.7 | Very low | 46 Ų | 46 | 128 Ų | 128 | 47% | 0.474 | 76% | 0.759 | S | S | . | * | | | trans | -135.2 | 92.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y126 | Y126-G128 PolarHBondContact O-N 3.31Š|
| 129 | Q | 34.1 | Very low | 37.1 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | S | Bend | | 175.2 | -13.9 | 120.9 | -137.7 | 70.1 | 70.4 | 0 | 0 | 113.7 | | |
| 130 | S | 31.4 | Very low | 37.2 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -142.1 | 121.3 | -172.9 | -46 | 0 | 0 | 0 | 0 | 109.1 | C132 | S130-C132 PolarHBondContact O-N 2.98Š|
| 131 | C | 37.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 86% | 0.858 | 75% | 0.752 | S | S | * | * | | | trans | -33.6 | 134 | 174.4 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | R133 | C131-R133 PolarHBondContact O-N 2.79Š|
| 132 | C | 40.1 | Very low | 37 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | trans | -22.5 | 95.3 | 175 | -57.1 | 0 | 0 | 0 | 0 | 113.1 | S130 | S130-C132 PolarHBondContact O-N 2.98Š|
| 133 | R | 34.1 | Very low | 37.1 | Very low | 216 Ų | 216 | 132.8 Ų | 132.8 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | trans | -79.4 | 128.8 | 160.1 | -166 | 170.2 | 164.5 | 177.9 | -5.7 | 105.1 | C131 A135 | C131-R133 PolarHBondContact O-N 2.79Å; R133-A135 PolarHBondContact O-N 3.38Å |
| 134 | P | 39.6 | Very low | 37.3 | Very low | 138 Ų | 138 | 130 Ų | 130 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 38.3 | -169 | 29.1 | -33.2 | 0 | 0 | 0 | 113.4 | | |
| 135 | A | 37.9 | Very low | 38 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.7 | 8.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R133 | R133-A135 PolarHBondContact O-N 3.38Š|
| 136 | C | 39.4 | Very low | 38.3 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | -144.5 | 126.2 | 166.9 | -70.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 137 | C | 38.5 | Very low | 38.4 | Very low | 120 Ų | 120 | 127 Ų | 127 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | | -153.4 | 94 | 60.7 | -65 | 0 | 0 | 0 | 0 | 111.4 | | |
| 138 | C | 35.8 | Very low | 38.3 | Very low | 124 Ų | 124 | 128 Ų | 128 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | -123.1 | 104.7 | 153.8 | -69.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 139 | Q | 33.8 | Very low | 38.1 | Very low | 141 Ų | 141 | 132 Ų | 132 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | | | trans | -66.8 | 137.1 | 165.8 | -163 | 179 | -83.4 | 0 | 0 | 107.3 | T141 | Q139-T141 PolarHBondContact O-N 3.43Å; Q139-T141 PolarHBondContact NE2-OG1 2.96Å |
| 140 | P | 38.3 | Very low | 38.3 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 12.2 | -171.6 | 27.5 | -35.6 | 0 | 0 | 0 | 115 | | |
| 141 | T | 37.9 | Very low | 38.8 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 1.3 | 178.9 | 48 | 0 | 0 | 0 | 0 | 113.9 | Q139 I143 | Q139-T141 PolarHBondContact O-N 3.43Å; Q139-T141 PolarHBondContact NE2-OG1 2.96Å; T141-I143 VanDerWaalsContact C-N 3.29Å; T141-I143 PolarHBondContact O-N 3.2Å; T141-I143 VanDerWaalsContact O-N 3.11Å |
| 142 | C | 34.7 | Very low | 38.9 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | trans | -85.1 | 74.2 | 172.1 | -56 | 0 | 0 | 0 | 0 | 109.6 | | |
| 143 | I | 41.9 | Very low | 38.5 | Very low | 141 Ų | 141 | 132 Ų | 132 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | | | trans | -80.2 | 114.7 | 169.8 | -76.7 | 172.7 | 0 | 0 | 0 | 108 | T141 | T141-I143 VanDerWaalsContact C-N 3.29Å; T141-I143 PolarHBondContact O-N 3.2Å; T141-I143 VanDerWaalsContact O-N 3.11Å |
| 144 | E | 37.4 | Very low | 38.7 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 83.8 | 149.4 | 159.2 | -64.7 | -171.6 | 124 | 0 | 0 | 121.2 | | |
| 145 | P | 49.2 | Very low | 38.4 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -137.4 | 81.4 | -45.3 | 36.1 | -17.8 | 0 | 0 | 0 | 110.7 | | |
| 146 | I | 39.6 | Very low | 38.5 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | | | trans | -154 | 28.4 | 173 | 4.8 | 168.6 | 0 | 0 | 0 | 114.8 | E148 | I146-E148 PolarHBondContact O-N 3.33Š|
| 147 | C | 39.5 | Very low | 38.5 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | | | trans | -89.5 | 87.4 | 168.1 | -135.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 148 | E | 39.2 | Very low | 38.5 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | | | trans | -59.6 | 134.4 | 168.7 | 57.8 | -165.2 | 100.6 | 0 | 0 | 110.8 | I146 I150 | I146-E148 PolarHBondContact O-N 3.33Å; E148-I150 HydrophobicContact CG-CD1 4.38Å; E148-I150 HydrophobicContact CG-CG1 4.43Å; E148-I150 PolarHBondContact O-N 2.97Å; E148-I150 VanDerWaalsContact O-N 3.12Å; E148-I150 WeakPolarHBondContact OE2-CD1 3.41Å |
| 149 | P | 41.2 | Very low | 38.6 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -87.1 | 82.4 | -174.7 | 34.8 | -32.2 | 0 | 0 | 0 | 109.8 | | |
| 150 | I | 38.2 | Very low | 38.9 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 67% | 0.667 | 79% | 0.793 | S | S | * | * | | | trans | -105.1 | -11.8 | 169.8 | -50.1 | 179.3 | 0 | 0 | 0 | 111.4 | E148 | E148-I150 HydrophobicContact CG-CD1 4.38Å; E148-I150 HydrophobicContact CG-CG1 4.43Å; E148-I150 PolarHBondContact O-N 2.97Å; E148-I150 VanDerWaalsContact O-N 3.12Å; E148-I150 WeakPolarHBondContact OE2-CD1 3.41Å |
| 151 | C | 41.2 | Very low | 38.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -95.6 | 9.1 | -170.4 | -151.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 152 | C | 40 | Very low | 39 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -144.2 | 72.9 | 178.1 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 153 | E | 30.8 | Very low | 39.3 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | trans | -107.9 | 118.1 | 147.7 | 61.8 | -179.4 | 92.6 | 0 | 0 | 109 | T155 | E153-T155 PolarHBondContact O-N 3.41Š|
| 154 | P | 38.4 | Very low | 39.1 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | | | trans | -81.5 | 99.3 | 160.9 | 30.7 | -25.3 | 0 | 0 | 0 | 106.8 | | |
| 155 | T | 33.3 | Very low | 39.2 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | | | trans | -73.6 | 128.1 | 162.4 | -8.9 | 0 | 0 | 0 | 0 | 107.9 | E153 | E153-T155 PolarHBondContact O-N 3.41Š|
| 156 | C | 40.3 | Very low | 38.3 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 100% | 1.338 | 83% | 0.831 | S | S | * | * | | | trans | -51.3 | 0 | -165.8 | -39.8 | 0 | 0 | 0 | 0 | 115.8 | | |