| 1 | M | 42.2 | Very low | 50.7 | Low | 246 Ų | 246 | 140.3 Ų | 140.3 | 100% | 1.212 | 84% | 0.838 | S | S | * | * | | | | 0 | 120.1 | 0 | -73.1 | 167.4 | 159 | 0 | 0 | 107.6 | | |
| 2 | R | 49.1 | Very low | 51 | Low | 253 Ų | 253 | 133.8 Ų | 133.8 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | | | trans | -76.6 | 127 | 174.9 | -82.6 | 178.6 | 168.7 | -149 | -2 | 108.5 | | |
| 3 | S | 46.6 | Very low | 51.1 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -130.1 | 98.5 | 154.3 | -68.4 | 0 | 0 | 0 | 0 | 107.2 | Q5 | S3-Q5 PolarHBondContact O-N 2.94Š|
| 4 | A | 53 | Low | 51.3 | Low | 104 Ų | 104 | 132.9 Ų | 132.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -69.6 | 102.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | G6 | A4-G6 PolarHBondContact O-N 3.03Š|
| 5 | Q | 49.3 | Very low | 51.4 | Low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -87.4 | 96.1 | 168.5 | -157.1 | 136.9 | 8.1 | 0 | 0 | 106.1 | S3 | S3-Q5 PolarHBondContact O-N 2.94Š|
| 6 | G | 49.2 | Very low | 51.4 | Low | 47 Ų | 47 | 135.6 Ų | 135.6 | 49% | 0.485 | 80% | 0.798 | S | S | . | * | | | trans | -56.5 | 167.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A4 T8 | A4-G6 PolarHBondContact O-N 3.03Å; G6-T8 PolarHBondContact O-N 3.35Å; G6-T8 VanDerWaalsContact C-N 3.32Å |
| 7 | P | 48.3 | Very low | 51.5 | Low | 140 Ų | 140 | 135.2 Ų | 135.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | -59.3 | 97 | 179.5 | 25 | -32.3 | 0 | 0 | 0 | 109.7 | M9 | P7-M9 PolarHBondContact O-N 3.18Š|
| 8 | T | 58.4 | Low | 51.7 | Low | 114 Ų | 114 | 135.2 Ų | 135.2 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | -80.2 | 105.1 | 165.1 | -64.8 | 0 | 0 | 0 | 0 | 105.4 | G6 | G6-T8 PolarHBondContact O-N 3.35Å; G6-T8 VanDerWaalsContact C-N 3.32Å |
| 9 | M | 48.9 | Very low | 51.9 | Low | 175 Ų | 175 | 133.8 Ų | 133.8 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | | | trans | 177.2 | 59 | 144.5 | -86.4 | -78.7 | -88.5 | 0 | 0 | 106.1 | P7 | P7-M9 PolarHBondContact O-N 3.18Š|
| 10 | G | 56.6 | Low | 52 | Low | 84 Ų | 84 | 134.8 Ų | 134.8 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | -94.2 | 87.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 11 | A | 55.9 | Low | 52.4 | Low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -167.7 | 115.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 12 | G | 54.2 | Low | 52.9 | Low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | 104.1 | 45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D14 | G12-D14 PolarHBondContact O-N 2.96Š|
| 13 | L | 53.3 | Low | 53.2 | Low | 138 Ų | 138 | 126.5 Ų | 126.5 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | | | trans | -64.3 | 100.9 | 139.3 | -67.6 | 172.7 | 0 | 0 | 0 | 104 | A15 | L13-A15 PolarHBondContact O-N 3.26Å; L13-A15 VanDerWaalsContact O-N 3.13Å |
| 14 | D | 53.2 | Low | 53.2 | Low | 117 Ų | 117 | 126.8 Ų | 126.8 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | | | trans | -43.7 | 125.7 | 172 | -63.7 | -76 | 0 | 0 | 0 | 107.1 | G12 W16 Q17 | G12-D14 PolarHBondContact O-N 2.96Å; D14-W16 PolarHBondContact O-N 3.04Å; D14-Q17 PolarHBondContact O-N 3.23Å |
| 15 | A | 52.4 | Low | 53.3 | Low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -3.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | L13 | L13-A15 PolarHBondContact O-N 3.26Å; L13-A15 VanDerWaalsContact O-N 3.13Å |
| 16 | W | 52.4 | Low | 53.2 | Low | 222 Ų | 222 | 129.3 Ų | 129.3 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -20.7 | 171.3 | -71.3 | 92.8 | 0 | 0 | 0 | 115 | D14 | D14-W16 PolarHBondContact O-N 3.04Š|
| 17 | Q | 53.1 | Low | 53.3 | Low | 130 Ų | 130 | 131 Ų | 131 | 61% | 0.607 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -85.2 | -19.7 | -177.8 | -75.5 | -86.5 | 64.1 | 0 | 0 | 113.9 | D14 T19 | D14-Q17 PolarHBondContact O-N 3.23Å; Q17-T19 PolarHBondContact O-N 2.9Å |
| 18 | L | 54.2 | Low | 53.4 | Low | 134 Ų | 134 | 129.2 Ų | 129.2 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -80.4 | -1.5 | 174.8 | -80.5 | 165.1 | 0 | 0 | 0 | 113.6 | Q20 | L18-Q20 VanDerWaalsContact C-N 3.3Š|
| 19 | T | 55.8 | Low | 52.9 | Low | 110 Ų | 110 | 132.5 Ų | 132.5 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -87.3 | 3.6 | 173.1 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | Q17 | Q17-T19 PolarHBondContact O-N 2.9Š|
| 20 | Q | 54.7 | Low | 53 | Low | 152 Ų | 152 | 129.7 Ų | 129.7 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -91.9 | -4.9 | -176.3 | -69.7 | -81.6 | -51.9 | 0 | 0 | 114.4 | L18 | L18-Q20 VanDerWaalsContact C-N 3.3Š|
| 21 | T | 60.2 | Low | 52.1 | Low | 131 Ų | 131 | 131.5 Ų | 131.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -136.9 | 84.2 | 175.1 | 58.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 22 | G | 51.8 | Low | 52.2 | Low | 66 Ų | 66 | 132.5 Ų | 132.5 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | | | trans | 158.4 | 95.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | S24 | G22-S24 PolarHBondContact O-N 2.81Š|
| 23 | W | 56.6 | Low | 51.7 | Low | 264 Ų | 264 | 135.5 Ų | 135.5 | 100% | 1 | 78% | 0.782 | S | S | * | * | | | trans | -57.3 | 109.5 | 167.3 | -62.4 | -33.2 | 0 | 0 | 0 | 109.6 | | |
| 24 | S | 45.9 | Very low | 51.2 | Low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -161.2 | 99.5 | 156.6 | -94.5 | 0 | 0 | 0 | 0 | 109.8 | G22 | G22-S24 PolarHBondContact O-N 2.81Š|
| 25 | V | 55.8 | Low | 51.2 | Low | 137 Ų | 137 | 133.8 Ų | 133.8 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | | | trans | -79.3 | 110.2 | 161.1 | 58.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 26 | E | 47 | Very low | 51 | Low | 194 Ų | 194 | 135.7 Ų | 135.7 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | -164.9 | 138.3 | 151.2 | -116.1 | 152.7 | 65.7 | 0 | 0 | 111.4 | | |
| 27 | G | 50.3 | Low | 50.3 | Low | 83 Ų | 83 | 128.6 Ų | 128.6 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -64.4 | 134.5 | -154.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 28 | A | 51.1 | Low | 49.8 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -102.1 | 120.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 29 | Q | 46.6 | Very low | 49.6 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -107.2 | 139 | 154.9 | -96.6 | -155.4 | -96.3 | 0 | 0 | 109.6 | | |
| 30 | P | 51.9 | Low | 49.5 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | | | trans | -84.8 | 140.7 | 176.9 | 33.6 | -31.4 | 0 | 0 | 0 | 110.9 | | |
| 31 | S | 38.1 | Very low | 49.6 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | trans | -115.8 | 128.8 | 169.7 | -73.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 32 | P | 58.6 | Low | 49.3 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | | | trans | -100.7 | 152.1 | 172.7 | 37.1 | -29.2 | 0 | 0 | 0 | 112.6 | | |
| 33 | S | 42.8 | Very low | 49.1 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | | | trans | 85.9 | 123.8 | 146.1 | -59.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 34 | G | 42.1 | Very low | 48.7 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | | | | 117.6 | 108.6 | 122.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 35 | T | 54.1 | Low | 48.9 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | | | trans | -78.4 | 159.2 | 173.7 | 66.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 36 | S | 47.3 | Very low | 48.5 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | | | trans | 97.4 | 109.9 | 152.1 | -155.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 37 | G | 39.2 | Very low | 48.7 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | trans | 140.2 | 85 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 38 | L | 42.7 | Very low | 48.9 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | | | trans | -60.5 | 161.1 | 163.1 | -77.6 | 164.1 | 0 | 0 | 0 | 110.8 | | |
| 39 | P | 49.7 | Very low | 49 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | | | cis | -120.7 | 155.7 | 4.9 | 36.6 | -21.5 | 0 | 0 | 0 | 113.7 | | |
| 40 | H | 54 | Low | 49.6 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -55.7 | 130.2 | 157.7 | -77.9 | 169.2 | 0 | 0 | 0 | 109 | | |
| 41 | P | 55.5 | Low | 49.4 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | | | | -148.5 | 145.9 | 93.5 | 32.6 | -13.1 | 0 | 0 | 0 | 114.4 | | |
| 42 | L | 53.9 | Low | 50.2 | Low | 173 Ų | 173 | 148.2 Ų | 148.2 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | 68.1 | 63.4 | 158.2 | -60.5 | 162 | 0 | 0 | 0 | 117.5 | | |
| 43 | R | 46.9 | Very low | 49.7 | Very low | 242 Ų | 242 | 150.4 Ų | 150.4 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | | | trans | -124.7 | 92.9 | 154.8 | -114.3 | -179.3 | 86.7 | 149.8 | 2 | 111.9 | | |
| 44 | S | 48.8 | Very low | 49.6 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | 59.1 | 80.6 | 147.5 | -47.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 45 | L | 50.8 | Low | 50.4 | Low | 159 Ų | 159 | 152 Ų | 152 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -55.9 | 131.2 | 146.1 | -69 | 166.2 | 0 | 0 | 0 | 107.5 | F47 | L45-F47 PolarHBondContact O-N 2.85Š|
| 46 | P | 47.3 | Very low | 50.1 | Low | 115 Ų | 115 | 150.8 Ų | 150.8 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | | | trans | -60.3 | 131.9 | 165.5 | 27.8 | -31 | 0 | 0 | 0 | 106.7 | E48 | P46-E48 PolarHBondContact O-N 3.08Š|
| 47 | F | 50.4 | Low | 50 | Low | 211 Ų | 211 | 151.2 Ų | 151.2 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -53.2 | 98.4 | -179 | -64.4 | -93.2 | 0 | 0 | 0 | 111 | L45 | L45-F47 PolarHBondContact O-N 2.85Š|
| 48 | E | 55.3 | Low | 50.2 | Low | 152 Ų | 152 | 151.3 Ų | 151.3 | 71% | 0.71 | 81% | 0.808 | S | S | * | * | | | trans | -153.4 | 107.5 | 157.1 | -108.2 | -166.8 | 68.3 | 0 | 0 | 109.5 | P46 H50 | P46-E48 PolarHBondContact O-N 3.08Å; E48-H50 IonicContact OE1-CD2 3.35Å; E48-H50 PolarHBondContact OE1-CD2 3.4Å; E48-H50 IonicContact OE1-NE2 3.89Å |
| 49 | H | 53.2 | Low | 50.3 | Low | 195 Ų | 195 | 149.4 Ų | 149.4 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | | | trans | -133.2 | 77.1 | 160.8 | -128.1 | 92.7 | 0 | 0 | 0 | 108.3 | R51 | H49-R51 PolarHBondContact O-N 3.12Š|
| 50 | H | 59.5 | Low | 50.4 | Low | 154 Ų | 154 | 150.7 Ų | 150.7 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | -78.7 | 99.4 | 165.4 | -64.6 | -86.3 | 0 | 0 | 0 | 109.1 | E48 | E48-H50 IonicContact OE1-CD2 3.35Å; E48-H50 PolarHBondContact OE1-CD2 3.4Å; E48-H50 IonicContact OE1-NE2 3.89Å |
| 51 | R | 47.9 | Very low | 50 | Low | 239 Ų | 239 | 149.5 Ų | 149.5 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | | -166.9 | 109.6 | 117.8 | -99.4 | -162.5 | -153.8 | 165.3 | 8.5 | 108.7 | H49 M53 | H49-R51 PolarHBondContact O-N 3.12Å; R51-M53 PolarHBondContact O-N 3.3Å |
| 52 | N | 53.6 | Low | 49.4 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | | | trans | -62.9 | 121.3 | -177.3 | -167.9 | 19.1 | 0 | 0 | 0 | 111 | | |
| 53 | M | 47.8 | Very low | 49.2 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | | | trans | 64.9 | 108.7 | 160.3 | -69.1 | 163.6 | -171.4 | 0 | 0 | 119.8 | R51 | R51-M53 PolarHBondContact O-N 3.3Š|
| 54 | S | 41.7 | Very low | 49.5 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | | -155.1 | 151.2 | 129.7 | -88.1 | 0 | 0 | 0 | 0 | 112 | | |
| 55 | P | 59.6 | Low | 49.2 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -101 | 145.4 | -150.6 | 36.7 | -29.8 | 0 | 0 | 0 | 113.2 | | |
| 56 | S | 46.9 | Very low | 49.2 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | -178.3 | 115.5 | 149.6 | -87.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 57 | T | 46.2 | Very low | 49.4 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | 81.3 | 91.6 | 132 | -38.4 | 0 | 0 | 0 | 0 | 122 | | |
| 58 | G | 43.1 | Very low | 49.7 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | | | trans | 80.8 | 155.2 | 134.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 59 | P | 43.4 | Very low | 49.2 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | cis | -122.3 | 156.5 | 34.2 | 37.7 | -23.9 | 0 | 0 | 0 | 116.6 | | |
| 60 | D | 52.7 | Low | 49.1 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -52.4 | 140.5 | 175 | -168.1 | -114.6 | 0 | 0 | 0 | 114.2 | | |
| 61 | L | 45.3 | Very low | 48.5 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 171.4 | 68 | 134.1 | -83.5 | -170.4 | 0 | 0 | 0 | 109.5 | | |
| 62 | S | 42.4 | Very low | 48.6 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -151.1 | 100.1 | 141.6 | -154.8 | 0 | 0 | 0 | 0 | 106.8 | G64 | S62-G64 PolarHBondContact O-N 2.84Š|
| 63 | A | 51 | Low | 48.5 | Very low | 101 Ų | 101 | 127 Ų | 127 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -53.3 | 127.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 64 | G | 52.6 | Low | 48.5 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 103.8 | 124 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115 | S62 | S62-G64 PolarHBondContact O-N 2.84Š|
| 65 | Q | 41.6 | Very low | 49.1 | Very low | 182 Ų | 182 | 126.1 Ų | 126.1 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | trans | 81.1 | 78.3 | 159.7 | -123.3 | 80.1 | 75.2 | 0 | 0 | 116.4 | | |
| 66 | G | 51.1 | Low | 48.6 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | | | trans | -56.2 | 131.8 | 132.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 67 | C | 52.3 | Low | 49 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 155.9 | 114.2 | 149.9 | -84.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 68 | C | 57.2 | Low | 48.9 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | | | trans | 68.2 | 67.3 | 157.3 | -40.9 | 0 | 0 | 0 | 0 | 117.2 | N70 | C68-N70 VanDerWaalsContact C-N 3.35Å; C68-N70 PolarHBondContact O-N 2.95Å |
| 69 | V | 44 | Very low | 49.1 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -74.5 | 92.9 | 158.9 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | H71 | V69-H71 PolarHBondContact O-N 2.93Š|
| 70 | N | 51.1 | Low | 49.2 | Very low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | | | trans | -69.2 | 107.1 | 157.9 | -76.5 | -72.1 | 0 | 0 | 0 | 107.3 | C68 W72 | C68-N70 VanDerWaalsContact C-N 3.35Å; C68-N70 PolarHBondContact O-N 2.95Å; N70-W72 PolarHBondContact O-N 2.89Å |
| 71 | H | 47.8 | Very low | 48.5 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 68% | 0.676 | 77% | 0.768 | S | S | * | * | | | trans | -74.2 | 78 | 174.5 | -174.6 | -96.5 | 0 | 0 | 0 | 109.7 | V69 Q73 | V69-H71 PolarHBondContact O-N 2.93Å; H71-Q73 PolarHBondContact O-N 2.7Å; H71-Q73 PolarHBondContact CE1-OE1 2.98Å |
| 72 | W | 49.8 | Very low | 48.7 | Very low | 205 Ų | 205 | 126.4 Ų | 126.4 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -83.1 | 94.4 | 162.5 | -66.3 | 101.8 | 0 | 0 | 0 | 107.7 | N70 L74 | N70-W72 PolarHBondContact O-N 2.89Å; W72-L74 HydrophobicContact CB-CG 4.44Å; W72-L74 PolarHBondContact O-N 3.06Å |
| 73 | Q | 52.1 | Low | 49.1 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | trans | -69 | 82 | 168.4 | -167.3 | 169.9 | -9 | 0 | 0 | 108.4 | H71 S75 | H71-Q73 PolarHBondContact O-N 2.7Å; H71-Q73 PolarHBondContact CE1-OE1 2.98Å; Q73-S75 PolarHBondContact O-N 3.45Å |
| 74 | L | 47.8 | Very low | 48.7 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -75.5 | 78.1 | 170.9 | -71.6 | 170.4 | 0 | 0 | 0 | 108.8 | W72 G76 | W72-L74 HydrophobicContact CB-CG 4.44Å; W72-L74 PolarHBondContact O-N 3.06Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-G76 PolarHBondContact O-N 3.32Å |
| 75 | S | 54.2 | Low | 48.8 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -72.8 | 90.6 | 164.1 | -67.1 | 0 | 0 | 0 | 0 | 108.5 | Q73 | Q73-S75 PolarHBondContact O-N 3.45Š|
| 76 | G | 48.8 | Very low | 49.1 | Very low | 55 Ų | 55 | 125.2 Ų | 125.2 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 171.3 | 95.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L74 L78 | L74-G76 VanDerWaalsContact C-N 3.33Å; L74-G76 PolarHBondContact O-N 3.32Å; G76-L78 PolarHBondContact O-N 3.35Å; G76-L78 VanDerWaalsContact O-N 3.12Å |
| 77 | S | 55.2 | Low | 48.9 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -43.3 | 109.4 | 176.4 | 161.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 78 | L | 44.3 | Very low | 48.8 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | | | trans | -106.3 | 100.7 | 164.7 | -66.1 | 179.3 | 0 | 0 | 0 | 109.2 | G76 | G76-L78 PolarHBondContact O-N 3.35Å; G76-L78 VanDerWaalsContact O-N 3.12Å |
| 79 | R | 46.3 | Very low | 48.6 | Very low | 222 Ų | 222 | 130 Ų | 130 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -63.6 | 140 | 163.9 | -64.7 | 172.2 | 66.6 | 179.9 | 1.1 | 107.9 | G81 | R79-G81 PolarHBondContact O-N 2.85Å; R79-G81 VanDerWaalsContact O-N 3.08Å |
| 80 | P | 45.6 | Very low | 49 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | trans | -75.4 | 104.2 | 179 | 29.2 | -30.4 | 0 | 0 | 0 | 109 | | |
| 81 | G | 37.7 | Very low | 49 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | -125.2 | 101.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | R79 | R79-G81 PolarHBondContact O-N 2.85Å; R79-G81 VanDerWaalsContact O-N 3.08Å |
| 82 | A | 51 | Low | 48.9 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | trans | -63.7 | 133.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 83 | G | 49.9 | Very low | 49 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 106.7 | 130.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 84 | S | 43.6 | Very low | 49.2 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | trans | 80.4 | 113 | 168.2 | -108.2 | 0 | 0 | 0 | 0 | 117.5 | P86 | S84-P86 VanDerWaalsContact O-CD 3.3Å; S84-P86 WeakPolarHBondContact O-CD 3.3Å |
| 85 | S | 53.7 | Low | 49.8 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | -49.2 | 130.2 | 158 | -77.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 86 | P | 49 | Very low | 49.8 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | | -148.3 | 148.7 | 113.6 | 35.6 | -19.6 | 0 | 0 | 0 | 112.6 | S84 | S84-P86 VanDerWaalsContact O-CD 3.3Å; S84-P86 WeakPolarHBondContact O-CD 3.3Å |
| 87 | G | 45 | Very low | 49.7 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | trans | 105.3 | 89.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L89 | G87-L89 PolarHBondContact O-N 3.32Š|
| 88 | L | 51.8 | Low | 50 | Low | 164 Ų | 164 | 130.7 Ų | 130.7 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | trans | -37.3 | 104.6 | 155.3 | -61.1 | 164.6 | 0 | 0 | 0 | 109.1 | S90 | L88-S90 PolarHBondContact O-N 3.02Š|
| 89 | L | 53 | Low | 50.7 | Low | 158 Ų | 158 | 126.7 Ų | 126.7 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -67 | 94.7 | 155.2 | -67.8 | 178.3 | 0 | 0 | 0 | 104.1 | G87 L91 | G87-L89 PolarHBondContact O-N 3.32Å; L89-L91 PolarHBondContact O-N 3.34Å |
| 90 | S | 51.5 | Low | 51.1 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -61.6 | 77.2 | 170.8 | -64 | 0 | 0 | 0 | 0 | 108.2 | L88 S92 | L88-S90 PolarHBondContact O-N 3.02Å; S90-S92 VanDerWaalsContact C-N 3.29Å; S90-S92 PolarHBondContact O-N 3.4Å |
| 91 | L | 50.8 | Low | 51.7 | Low | 148 Ų | 148 | 124 Ų | 124 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -65.4 | 101.5 | 162 | -70.5 | 167.4 | 0 | 0 | 0 | 104.2 | L89 L93 | L89-L91 PolarHBondContact O-N 3.34Å; L91-L93 VanDerWaalsContact C-N 3.35Å; L91-L93 PolarHBondContact O-N 3.13Å |
| 92 | S | 45.5 | Very low | 52.3 | Low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -51.6 | 102.4 | 173.6 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | S90 N94 | S90-S92 VanDerWaalsContact C-N 3.29Å; S90-S92 PolarHBondContact O-N 3.4Å; S92-N94 PolarHBondContact O-N 3.37Å |
| 93 | L | 52.9 | Low | 52.1 | Low | 141 Ų | 141 | 131.2 Ų | 131.2 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 33.4 | -179.8 | -82.9 | 166.9 | 0 | 0 | 0 | 111.7 | L91 | L91-L93 VanDerWaalsContact C-N 3.35Å; L91-L93 PolarHBondContact O-N 3.13Å |
| 94 | N | 56.3 | Low | 52 | Low | 138 Ų | 138 | 137.4 Ų | 137.4 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -14.1 | -173.1 | -103.1 | -62.3 | 0 | 0 | 0 | 115.6 | S92 | S92-N94 PolarHBondContact O-N 3.37Š|
| 95 | Q | 60.6 | Low | 52.5 | Low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | | | trans | -154.9 | 53.6 | 173.2 | -69.4 | -156.6 | 102.3 | 0 | 0 | 113.8 | P97 | Q95-P97 VanDerWaalsContact O-CD 3.3Å; Q95-P97 WeakPolarHBondContact O-CD 3.3Å |
| 96 | Q | 52.5 | Low | 52.4 | Low | 160 Ų | 160 | 138.9 Ų | 138.9 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 119.2 | 156.8 | -74.2 | -170.7 | -70.9 | 0 | 0 | 107.4 | A98 | Q96-A98 PolarHBondContact O-N 2.85Š|
| 97 | P | 47.5 | Very low | 52.6 | Low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 131.2 | 163.2 | -15.3 | 28.6 | 0 | 0 | 0 | 106.5 | Q95 A99 | Q95-P97 VanDerWaalsContact O-CD 3.3Å; Q95-P97 WeakPolarHBondContact O-CD 3.3Å; P97-A99 PolarHBondContact O-N 2.7Å |
| 98 | A | 61.9 | Low | 53 | Low | 99 Ų | 99 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 116.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q96 | Q96-A98 PolarHBondContact O-N 2.85Š|
| 99 | A | 58.8 | Low | 53.1 | Low | 85 Ų | 85 | 142.9 Ų | 142.9 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 132.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | P97 E101 | P97-A99 PolarHBondContact O-N 2.7Å; A99-E101 PolarHBondContact O-N 3.18Å |
| 100 | P | 54.4 | Low | 53.1 | Low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.9 | 178.7 | 25.1 | -32 | 0 | 0 | 0 | 108.3 | C102 | P100-C102 PolarHBondContact O-N 3.06Š|
| 101 | E | 59.3 | Low | 53.2 | Low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -56.5 | 114.7 | 175.5 | -61.4 | -157.6 | 93.1 | 0 | 0 | 108.4 | A99 K103 | A99-E101 PolarHBondContact O-N 3.18Å; E101-K103 PolarHBondContact O-N 2.72Å |
| 102 | C | 48.4 | Very low | 53.4 | Low | 138 Ų | 138 | 143.9 Ų | 143.9 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | | | trans | -66 | 101.9 | 171 | -77 | 0 | 0 | 0 | 0 | 107.4 | P100 | P100-C102 PolarHBondContact O-N 3.06Š|
| 103 | K | 47.8 | Very low | 54.1 | Low | 192 Ų | 192 | 147.4 Ų | 147.4 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | | | trans | -87 | 117.9 | 178 | -175 | 163.8 | 177.2 | 175.3 | 0 | 109.9 | E101 | E101-K103 PolarHBondContact O-N 2.72Š|
| 104 | V | 48.4 | Very low | 54.2 | Low | 205 Ų | 205 | 148 Ų | 148 | 100% | 1.242 | 85% | 0.845 | S | S | * | * | | | trans | 76.4 | 0 | 163.7 | -175 | 0 | 0 | 0 | 0 | 117 | | |