| 1 | M | 57.8 | Low | 58 | Low | 224 Ų | 224 | 149.1 Ų | 149.1 | 100% | 1.103 | 83% | 0.832 | S | S | * | * | | | | 0 | 79.3 | 0 | -84.3 | -85.2 | -153.5 | 0 | 0 | 104.1 | | |
| 2 | D | 63.9 | Low | 57.2 | Low | 159 Ų | 159 | 142.9 Ų | 142.9 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | | | trans | -105.1 | 126.9 | -159.9 | -61.9 | -82.7 | 0 | 0 | 0 | 109.6 | | |
| 3 | H | 66.4 | Low | 56.9 | Low | 183 Ų | 183 | 140.8 Ų | 140.8 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | | | trans | -65.5 | 141.6 | -170.5 | -65.1 | -76.1 | 0 | 0 | 0 | 112.3 | | |
| 4 | P | 55.1 | Low | 57.1 | Low | 128 Ų | 128 | 144.3 Ų | 144.3 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | | | trans | -81.9 | 141.8 | 176.4 | 34.8 | -31 | 0 | 0 | 0 | 109.4 | | |
| 5 | G | 50.2 | Low | 56.9 | Low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | | | trans | 120.4 | 93.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 6 | H | 55.9 | Low | 56.7 | Low | 149 Ų | 149 | 143.4 Ų | 143.4 | 69% | 0.69 | 82% | 0.824 | S | S | * | * | | | trans | -153.8 | 81 | 132.7 | -150.1 | 41.8 | 0 | 0 | 0 | 109.3 | R8 | H6-R8 VanDerWaalsContact CD2-CG 3.43Å; H6-R8 VanDerWaalsContact C-N 3.26Å; H6-R8 PolarHBondContact O-N 3.4Å; H6-R8 WeakPolarHBondContact CD2-CG 3.42Å; H6-R8 PolarHBondContact NE2-NE 3.4Å |
| 7 | C | 58.3 | Low | 56.7 | Low | 125 Ų | 125 | 145.2 Ų | 145.2 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | trans | -72.4 | 87.7 | 168.1 | -61.7 | 0 | 0 | 0 | 0 | 107.6 | S9 | C7-S9 PolarHBondContact O-N 3.12Š|
| 8 | R | 60.6 | Low | 56.3 | Low | 205 Ų | 205 | 145.6 Ų | 145.6 | 77% | 0.774 | 82% | 0.823 | S | S | * | * | | | trans | -80.6 | 92.1 | 166.3 | -76.6 | -178 | 136.9 | 178 | -4.1 | 108 | H6 A10 | H6-R8 VanDerWaalsContact CD2-CG 3.43Å; H6-R8 VanDerWaalsContact C-N 3.26Å; H6-R8 PolarHBondContact O-N 3.4Å; H6-R8 WeakPolarHBondContact CD2-CG 3.42Å; H6-R8 PolarHBondContact NE2-NE 3.4Å; R8-A10 PolarHBondContact O-N 3.04Å |
| 9 | S | 57 | Low | 56.1 | Low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | | | trans | -58.4 | 116.7 | 167.9 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | C7 E11 | C7-S9 PolarHBondContact O-N 3.12Å; S9-E11 PolarHBondContact O-N 3.02Å |
| 10 | A | 58.6 | Low | 55.9 | Low | 104 Ų | 104 | 143.1 Ų | 143.1 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -83.8 | 31.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R8 | R8-A10 PolarHBondContact O-N 3.04Š|
| 11 | E | 54.9 | Low | 55.8 | Low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | | | trans | -126.6 | 107.4 | -172 | -57.5 | -166.7 | 177.9 | 0 | 0 | 108.8 | S9 | S9-E11 PolarHBondContact O-N 3.02Š|
| 12 | G | 47.3 | Very low | 55.5 | Low | 75 Ų | 75 | 139.8 Ų | 139.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 141.1 | 56.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 13 | S | 53.3 | Low | 54.9 | Low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -145.4 | 71.1 | 159.5 | -164.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 14 | F | 60 | Low | 54 | Low | 190 Ų | 190 | 135.9 Ų | 135.9 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | | | trans | -108.9 | 103.9 | 166.7 | -75.1 | -79.1 | 0 | 0 | 0 | 108.1 | | |
| 15 | L | 53.8 | Low | 53.7 | Low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | 64.2 | 77.6 | 144.8 | -50.1 | 175.4 | 0 | 0 | 0 | 116 | | |
| 16 | S | 54.1 | Low | 54.1 | Low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -118.1 | 97.4 | 154.9 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 17 | Q | 56.8 | Low | 53.8 | Low | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -173.8 | -17.3 | 156.9 | -103 | 151 | 51.1 | 0 | 0 | 116.6 | | |
| 18 | D | 49.9 | Very low | 53.3 | Low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | -115.7 | 45.1 | -167.6 | -62.8 | -30.6 | 0 | 0 | 0 | 116.1 | | |
| 19 | V | 52.3 | Low | 52.5 | Low | 138 Ų | 138 | 130.6 Ų | 130.6 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | trans | -111.8 | 46 | 168.3 | -162.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 20 | S | 52.1 | Low | 52 | Low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -114.5 | 7.5 | 175.3 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 21 | L | 53.6 | Low | 51.7 | Low | 147 Ų | 147 | 137.6 Ų | 137.6 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -119.4 | 7.3 | -172 | -66.2 | 175.8 | 0 | 0 | 0 | 115.3 | | |
| 22 | L | 50.8 | Low | 51.4 | Low | 152 Ų | 152 | 135.3 Ų | 135.3 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -113.8 | 2 | 178.4 | -69.7 | 171.9 | 0 | 0 | 0 | 114.4 | A24 | L22-A24 VanDerWaalsContact C-N 3.32Š|
| 23 | L | 52.7 | Low | 51.8 | Low | 180 Ų | 180 | 136.1 Ų | 136.1 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -97.7 | 19 | 170 | -150.4 | 71.4 | 0 | 0 | 0 | 112.4 | | |
| 24 | A | 46.6 | Very low | 51.9 | Low | 80 Ų | 80 | 135.9 Ų | 135.9 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | | | trans | -123.3 | 61.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L22 | L22-A24 VanDerWaalsContact C-N 3.32Š|
| 25 | S | 49 | Very low | 52 | Low | 88 Ų | 88 | 131.4 Ų | 131.4 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | | | trans | -154.7 | 103.8 | 168.3 | 20.9 | 0 | 0 | 0 | 0 | 110.2 | P27 | S25-P27 WeakPolarHBondContact O-CD 3.39Š|
| 26 | P | 58 | Low | 52.6 | Low | 131 Ų | 131 | 128.5 Ų | 128.5 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -75.3 | 119.5 | 161.3 | 29.5 | -28.4 | 0 | 0 | 0 | 108.3 | | |
| 27 | P | 50.9 | Low | 53.2 | Low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | -89.6 | 146.2 | 167.6 | 31.7 | -23 | 0 | 0 | 0 | 110.5 | S25 | S25-P27 WeakPolarHBondContact O-CD 3.39Š|
| 28 | S | 46.8 | Very low | 53.2 | Low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 89 | 78.1 | 162.1 | -56.7 | 0 | 0 | 0 | 0 | 117.6 | R30 | S28-R30 PolarHBondContact O-N 3.1Š|
| 29 | S | 43.9 | Very low | 53.7 | Low | 129 Ų | 129 | 130 Ų | 130 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -47 | 90 | 136.5 | 36.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 30 | R | 47.6 | Very low | 53.9 | Low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -94.4 | 111.4 | 171.3 | -161.9 | 171.6 | 160.2 | -155.1 | -6.4 | 107.8 | S28 T32 | S28-R30 PolarHBondContact O-N 3.1Å; R30-T32 PolarHBondContact O-N 3.18Å |
| 31 | T | 52.2 | Low | 53.7 | Low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -53.8 | 121.9 | -178.9 | 39 | 0 | 0 | 0 | 0 | 111.6 | A33 | T31-A33 PolarHBondContact O-N 3.49Å; T31-A33 VanDerWaalsContact O-N 3.11Å |
| 32 | T | 47.2 | Very low | 53.7 | Low | 134 Ų | 134 | 129.2 Ų | 129.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -67.9 | 102.3 | 167.1 | -53.5 | 0 | 0 | 0 | 0 | 108.3 | R30 S34 | R30-T32 PolarHBondContact O-N 3.18Å; T32-S34 PolarHBondContact O-N 3Å |
| 33 | A | 55.5 | Low | 53.5 | Low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -70.8 | 96.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | T31 S35 | T31-A33 PolarHBondContact O-N 3.49Å; T31-A33 VanDerWaalsContact O-N 3.11Å; A33-S35 PolarHBondContact O-N 2.94Å; A33-S35 VanDerWaalsContact O-N 3.12Å |
| 34 | S | 56.5 | Low | 53.4 | Low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -71.5 | 97.3 | 169.7 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | T32 | T32-S34 PolarHBondContact O-N 3Š|
| 35 | S | 61.7 | Low | 53.4 | Low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | | | trans | -91.8 | 112.9 | 171 | 67.8 | 0 | 0 | 0 | 0 | 109.6 | A33 I37 | A33-S35 PolarHBondContact O-N 2.94Å; A33-S35 VanDerWaalsContact O-N 3.12Å; S35-I37 PolarHBondContact O-N 3.3Å |
| 36 | T | 66.1 | Low | 53.4 | Low | 104 Ų | 104 | 134.3 Ų | 134.3 | 64% | 0.638 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 121.8 | 168.5 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | Y38 | T36-Y38 HydrophobicContact CG2-CD2 4.41Å; T36-Y38 HydrophobicContact CG2-CE2 3.9Å |
| 37 | I | 66.4 | Low | 52.9 | Low | 151 Ų | 151 | 133.8 Ų | 133.8 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 123.1 | 173.7 | -58.2 | 175.4 | 0 | 0 | 0 | 108.3 | S35 | S35-I37 PolarHBondContact O-N 3.3Š|
| 38 | Y | 58.3 | Low | 52.6 | Low | 191 Ų | 191 | 133.5 Ų | 133.5 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 129.3 | 171.7 | -68.3 | -83.5 | 0 | 0 | 0 | 110 | T36 T40 | T36-Y38 HydrophobicContact CG2-CD2 4.41Å; T36-Y38 HydrophobicContact CG2-CE2 3.9Å; Y38-T40 PolarHBondContact O-N 3.2Å |
| 39 | P | 59.6 | Low | 52.8 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | trans | -79 | 116 | 177.1 | 29.3 | -30.1 | 0 | 0 | 0 | 110.6 | | |
| 40 | T | 55.4 | Low | 52.8 | Low | 138 Ų | 138 | 135.3 Ų | 135.3 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -91.3 | 116.4 | 168.5 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | Y38 | Y38-T40 PolarHBondContact O-N 3.2Š|
| 41 | S | 49.8 | Very low | 52.7 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -72.1 | 127.8 | 176.5 | 42.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 42 | S | 52.7 | Low | 52.5 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | -163.2 | 102.1 | 156.3 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 43 | S | 46.2 | Very low | 52.6 | Low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -64.2 | -171.9 | 172.3 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 44 | F | 50.4 | Low | 52 | Low | 177 Ų | 177 | 129.3 Ų | 129.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 93.1 | 82.8 | 172.5 | -51.7 | -73.5 | 0 | 0 | 0 | 115.5 | | |
| 45 | Y | 46.7 | Very low | 51.4 | Low | 238 Ų | 238 | 129.3 Ų | 129.3 | 93% | 0.933 | 78% | 0.783 | S | S | * | * | | | | -172 | 124.3 | 105.3 | -110.5 | -88.8 | 0 | 0 | 0 | 109.1 | | |
| 46 | A | 49.8 | Very low | 50.7 | Low | 91 Ų | 91 | 132.9 Ų | 132.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -87.3 | 135.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 47 | S | 47.7 | Very low | 49.6 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -137.2 | 108.6 | 148.7 | -89.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 48 | T | 44.7 | Very low | 48.6 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | | | trans | -30.5 | 135.1 | 158.5 | 40.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 49 | H | 49.4 | Very low | 48.1 | Very low | 192 Ų | 192 | 124.6 Ų | 124.6 | 89% | 0.889 | 79% | 0.79 | S | S | * | * | | | | 174.5 | 135.9 | 115.1 | -70.8 | -50.4 | 0 | 0 | 0 | 108.6 | | |
| 50 | G | 44.7 | Very low | 47.9 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | 115.5 | 94.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 51 | S | 46.3 | Very low | 47.8 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -62.2 | 151.5 | 174.5 | -53.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 52 | S | 47.4 | Very low | 48.2 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 60.7 | 104.3 | 149.1 | 63.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 53 | S | 48.7 | Very low | 48.5 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | | 165.4 | 116.1 | 92.3 | 44.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 54 | S | 42.9 | Very low | 49 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -71.5 | 156 | 166.6 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 55 | P | 45.3 | Very low | 49.4 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | cis | -143 | 161.8 | 39.5 | 39.3 | -19.3 | 0 | 0 | 0 | 117.3 | | |
| 56 | I | 46.1 | Very low | 49.9 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | 50.7 | 112 | 138.8 | -64.1 | 163.4 | 0 | 0 | 0 | 116.7 | | |
| 57 | G | 42.6 | Very low | 50.2 | Low | 62 Ų | 62 | 124.6 Ų | 124.6 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | | | trans | 144.1 | 133 | 142 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 58 | S | 45.1 | Very low | 50.4 | Low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | 76 | 98.2 | 161.3 | 64.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 59 | S | 48.8 | Very low | 50.7 | Low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | 49.8 | 83.3 | 135.5 | 63.4 | 0 | 0 | 0 | 0 | 118.2 | E61 | S59-E61 PolarHBondContact O-N 3.11Š|
| 60 | N | 54.2 | Low | 50.6 | Low | 167 Ų | 167 | 123.3 Ų | 123.3 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | | | trans | -82 | 68.7 | 152.9 | -68.7 | -24.3 | 0 | 0 | 0 | 108.9 | | |
| 61 | E | 54.7 | Low | 51.1 | Low | 169 Ų | 169 | 125.7 Ų | 125.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -83.9 | 120.2 | 163.5 | -82.1 | -109.3 | 133.7 | 0 | 0 | 107.6 | S59 V63 | S59-E61 PolarHBondContact O-N 3.11Å; E61-V63 PolarHBondContact O-N 3.38Å |
| 62 | P | 58.5 | Low | 51.5 | Low | 111 Ų | 111 | 126.6 Ų | 126.6 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | | | trans | -67.6 | 125 | 179.6 | 26.7 | -31.5 | 0 | 0 | 0 | 109.7 | S64 | P62-S64 PolarHBondContact O-N 3.16Š|
| 63 | V | 58.7 | Low | 51.6 | Low | 123 Ų | 123 | 128.1 Ų | 128.1 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | | | trans | -58 | 101.6 | 167.7 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | E61 H65 | E61-V63 PolarHBondContact O-N 3.38Å; V63-H65 WeakPolarHBondContact CG1-ND1 3.34Å |
| 64 | S | 55.5 | Low | 51.9 | Low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | trans | -96.2 | 108.5 | 165 | 52 | 0 | 0 | 0 | 0 | 108.1 | P62 | P62-S64 PolarHBondContact O-N 3.16Š|
| 65 | H | 58.9 | Low | 52.5 | Low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | | | trans | -104.1 | 82.3 | 165.5 | -82 | 33.1 | 0 | 0 | 0 | 107 | V63 H67 | V63-H65 WeakPolarHBondContact CG1-ND1 3.34Å; H65-H67 VanDerWaalsContact C-N 3.31Å; H65-H67 AromaticContact CD2-NE2 4Å; H65-H67 PolarHBondContact O-N 2.93Å |
| 66 | D | 57.5 | Low | 52.8 | Low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | -75.5 | 89.8 | 170.3 | -77.2 | -20.4 | 0 | 0 | 0 | 108.9 | T68 | D66-T68 PolarHBondContact O-N 2.9Š|
| 67 | H | 56 | Low | 53 | Low | 155 Ų | 155 | 126.8 Ų | 126.8 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | | | trans | -81.8 | 69.5 | 161.4 | -66 | -59.3 | 0 | 0 | 0 | 109.2 | H65 V69 | H65-H67 VanDerWaalsContact C-N 3.31Å; H65-H67 AromaticContact CD2-NE2 4Å; H65-H67 PolarHBondContact O-N 2.93Å; H67-V69 PolarHBondContact O-N 2.83Å; H67-V69 VanDerWaalsContact O-N 3.1Å |
| 68 | T | 51.3 | Low | 53.8 | Low | 108 Ų | 108 | 130.8 Ų | 130.8 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | | | trans | -84.7 | 88.1 | 174.3 | -40.5 | 0 | 0 | 0 | 0 | 109.1 | D66 N70 | D66-T68 PolarHBondContact O-N 2.9Å; T68-N70 PolarHBondContact O-N 2.81Å; T68-N70 HydrophobicContact CG2-CB 4.41Å; T68-N70 VanDerWaalsContact C-N 3.28Å |
| 69 | V | 51.5 | Low | 54.6 | Low | 138 Ų | 138 | 134.1 Ų | 134.1 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | trans | -65.4 | 88.4 | 159.4 | -76.8 | 0 | 0 | 0 | 0 | 108.3 | H67 | H67-V69 PolarHBondContact O-N 2.83Å; H67-V69 VanDerWaalsContact O-N 3.1Å |
| 70 | N | 48.7 | Very low | 55.2 | Low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | -120.7 | 99.2 | 163.7 | -124.5 | 7.4 | 0 | 0 | 0 | 109.9 | T68 | T68-N70 PolarHBondContact O-N 2.81Å; T68-N70 HydrophobicContact CG2-CB 4.41Å; T68-N70 VanDerWaalsContact C-N 3.28Å |
| 71 | N | 53.3 | Low | 55.5 | Low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | trans | -50.6 | 165.1 | 162.3 | -162.1 | 29.2 | 0 | 0 | 0 | 110.8 | | |
| 72 | D | 55 | Low | 55.8 | Low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 87.4 | 34.8 | 162.3 | -44.5 | -40.6 | 0 | 0 | 0 | 119 | | |
| 73 | N | 50.8 | Low | 55.9 | Low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | trans | -161.6 | 47.1 | 144.2 | -141.1 | 7.6 | 0 | 0 | 0 | 115.4 | S75 | N73-S75 PolarHBondContact O-N 3.17Å; N73-S75 VanDerWaalsContact O-N 3.16Å; N73-S75 PolarHBondContact OD1-OG 2.73Å |
| 74 | Q | 54.1 | Low | 55.9 | Low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | trans | -82.5 | 34.6 | 173.1 | -67.5 | -169.7 | -3.8 | 0 | 0 | 113.2 | N76 | Q74-N76 PolarHBondContact O-N 2.97Š|
| 75 | S | 55.8 | Low | 56 | Low | 90 Ų | 90 | 141.8 Ų | 141.8 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 54.3 | 177.2 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | N73 | N73-S75 PolarHBondContact O-N 3.17Å; N73-S75 VanDerWaalsContact O-N 3.16Å; N73-S75 PolarHBondContact OD1-OG 2.73Å |
| 76 | N | 51.4 | Low | 56 | Low | 152 Ų | 152 | 146.4 Ų | 146.4 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 32.4 | 160.2 | -82.1 | -28.5 | 0 | 0 | 0 | 110 | Q74 I78 | Q74-N76 PolarHBondContact O-N 2.97Å; N76-I78 PolarHBondContact O-N 2.71Å |
| 77 | G | 51.6 | Low | 55.7 | Low | 56 Ų | 56 | 145.9 Ų | 145.9 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | | | trans | -68 | 71.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F79 | G77-F79 WeakPolarHBondContact O-CD2 3.36Å; G77-F79 PolarHBondContact O-N 3.11Å |
| 78 | I | 58.9 | Low | 55.5 | Low | 146 Ų | 146 | 142.3 Ų | 142.3 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -62.8 | 92.6 | 158.6 | -61.1 | 173.3 | 0 | 0 | 0 | 104.2 | N76 | N76-I78 PolarHBondContact O-N 2.71Š|
| 79 | F | 62.2 | Low | 55.3 | Low | 177 Ų | 177 | 140.9 Ų | 140.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -49.9 | 129.2 | 165.5 | -74.7 | -87.8 | 0 | 0 | 0 | 106.4 | G77 W81 | G77-F79 WeakPolarHBondContact O-CD2 3.36Å; G77-F79 PolarHBondContact O-N 3.11Å; F79-W81 PolarHBondContact O-N 2.84Å |
| 80 | P | 60 | Low | 55.5 | Low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -61.9 | 97.3 | 165.1 | 4.8 | 4.3 | 0 | 0 | 0 | 104.6 | M82 | P80-M82 PolarHBondContact O-N 2.81Š|
| 81 | W | 61.2 | Low | 55.7 | Low | 190 Ų | 190 | 142.9 Ų | 142.9 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -50 | 119.4 | 173.4 | 52.2 | -90 | 0 | 0 | 0 | 104.8 | F79 K83 E84 | F79-W81 PolarHBondContact O-N 2.84Å; W81-K83 PolarHBondContact O-N 3.08Å; W81-K83 VanDerWaalsContact O-N 3.17Å; W81-E84 HydrophobicContact CZ3-CB 4.43Å |
| 82 | M | 61.3 | Low | 56.2 | Low | 174 Ų | 174 | 147.7 Ų | 147.7 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | -36 | 120 | -164.6 | -77.8 | 158.7 | -93.5 | 0 | 0 | 112.5 | P80 E84 | P80-M82 PolarHBondContact O-N 2.81Å; M82-E84 PolarHBondContact O-N 3.14Å; M82-E84 VanDerWaalsContact O-N 3.11Å |
| 83 | K | 60.4 | Low | 56.4 | Low | 186 Ų | 186 | 146 Ų | 146 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | | | trans | -23.5 | 108.6 | 166.5 | -157.7 | 173.1 | -173.5 | 177.5 | 0 | 111.3 | W81 S85 | W81-K83 PolarHBondContact O-N 3.08Å; W81-K83 VanDerWaalsContact O-N 3.17Å; K83-S85 PolarHBondContact O-OG 2.84Å; K83-S85 PolarHBondContact O-N 3.04Å |
| 84 | E | 58.8 | Low | 56.7 | Low | 171 Ų | 171 | 148.1 Ų | 148.1 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -61.1 | 99.3 | 179.6 | -155.3 | 163.2 | -156.3 | 0 | 0 | 108.7 | W81 M82 | W81-E84 HydrophobicContact CZ3-CB 4.43Å; M82-E84 PolarHBondContact O-N 3.14Å; M82-E84 VanDerWaalsContact O-N 3.11Å |
| 85 | S | 56.4 | Low | 57.2 | Low | 90 Ų | 90 | 149.8 Ų | 149.8 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | trans | -112 | 72 | -169.8 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | K83 | K83-S85 PolarHBondContact O-OG 2.84Å; K83-S85 PolarHBondContact O-N 3.04Å |
| 86 | R | 59.2 | Low | 57.5 | Low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | trans | 179.6 | 143.1 | 150.8 | -98.8 | 152.6 | -168.3 | -162.5 | 4.1 | 112.7 | | |
| 87 | P | 51.1 | Low | 57.7 | Low | 131 Ų | 131 | 150.4 Ų | 150.4 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -82.5 | 121.5 | -178.4 | 33.2 | -29.6 | 0 | 0 | 0 | 109.9 | | |
| 88 | G | 51.8 | Low | 58 | Low | 80 Ų | 80 | 152 Ų | 152 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | 145 | 74.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 89 | G | 48.6 | Very low | 57.7 | Low | 77 Ų | 77 | 152 Ų | 152 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -125.1 | 81.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G91 | G89-G91 PolarHBondContact O-N 3.03Š|
| 90 | R | 54 | Low | 57.3 | Low | 257 Ų | 257 | 151.1 Ų | 151.1 | 97% | 0.97 | 80% | 0.804 | S | S | * | * | | | trans | -68.4 | 75.9 | 171.3 | -85.1 | 177.9 | 158.2 | -178.3 | -4.6 | 109.4 | R92 | R90-R92 VanDerWaalsContact C-N 3.29Å; R90-R92 PolarHBondContact O-N 3.29Å; R90-R92 VanDerWaalsContact O-N 3.08Å |
| 91 | G | 53.2 | Low | 56.7 | Low | 71 Ų | 71 | 150.8 Ų | 150.8 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | trans | -77.7 | 80.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G89 A93 | G89-G91 PolarHBondContact O-N 3.03Å; G91-A93 PolarHBondContact O-N 2.88Å |
| 92 | R | 64.4 | Low | 56.2 | Low | 233 Ų | 233 | 146.6 Ų | 146.6 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -66.6 | 86.7 | 167.3 | -125.3 | -175.7 | 176.4 | -161.1 | -1.4 | 106.5 | R90 H94 | R90-R92 VanDerWaalsContact C-N 3.29Å; R90-R92 PolarHBondContact O-N 3.29Å; R90-R92 VanDerWaalsContact O-N 3.08Å; R92-H94 PolarHBondContact O-N 3.39Å |
| 93 | A | 60 | Low | 55.6 | Low | 95 Ų | 95 | 146.1 Ų | 146.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -56.4 | 115.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | G91 R95 | G91-A93 PolarHBondContact O-N 2.88Å; A93-R95 PolarHBondContact O-N 3.31Å |
| 94 | H | 56.8 | Low | 55.3 | Low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -59.7 | 108.8 | 179.4 | -75.3 | -101.6 | 0 | 0 | 0 | 108.4 | R92 P96 | R92-H94 PolarHBondContact O-N 3.39Å; H94-P96 WeakPolarHBondContact O-CD 3.43Å |
| 95 | R | 64 | Low | 54.9 | Low | 228 Ų | 228 | 139.4 Ų | 139.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -77.5 | 119.3 | 171.3 | -145.1 | 178.6 | -175.1 | 177.4 | 0.7 | 107 | A93 T97 | A93-R95 PolarHBondContact O-N 3.31Å; R95-T97 PolarHBondContact O-N 3.19Å; R95-T97 VanDerWaalsContact O-N 3.14Å |
| 96 | P | 62.8 | Low | 54.9 | Low | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | | | trans | -64 | 115.6 | 172.1 | -15.9 | 29.8 | 0 | 0 | 0 | 108.2 | H94 S98 | H94-P96 WeakPolarHBondContact O-CD 3.43Å; P96-S98 PolarHBondContact O-N 3.18Å |
| 97 | T | 55.5 | Low | 54.3 | Low | 141 Ų | 141 | 145.7 Ų | 145.7 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | | | trans | -85.8 | 87.4 | 171.9 | 54.7 | 0 | 0 | 0 | 0 | 108.2 | R95 | R95-T97 PolarHBondContact O-N 3.19Å; R95-T97 VanDerWaalsContact O-N 3.14Å |
| 98 | S | 56.8 | Low | 54.4 | Low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | | | trans | -107.8 | 116 | 150.2 | 52 | 0 | 0 | 0 | 0 | 104.9 | P96 | P96-S98 PolarHBondContact O-N 3.18Š|
| 99 | D | 52.4 | Low | 54.2 | Low | 147 Ų | 147 | 143.8 Ų | 143.8 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | trans | 170.8 | 121.9 | 131.6 | -80.3 | -15.6 | 0 | 0 | 0 | 112.7 | | |
| 100 | L | 53.9 | Low | 54.1 | Low | 158 Ų | 158 | 154.1 Ų | 154.1 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | | | trans | 74.6 | 93 | 157.8 | -74.7 | 83.3 | 0 | 0 | 0 | 119.6 | S102 | L100-S102 PolarHBondContact O-N 3.22Š|
| 101 | S | 48.3 | Very low | 54.1 | Low | 112 Ų | 112 | 149 Ų | 149 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | | | trans | -54.9 | 116.9 | 150.8 | 154 | 0 | 0 | 0 | 0 | 111.6 | | |
| 102 | S | 50.4 | Low | 54.2 | Low | 101 Ų | 101 | 153.1 Ų | 153.1 | 71% | 0.706 | 83% | 0.833 | S | S | * | * | | | trans | -123.8 | 84.3 | 153.8 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | L100 V104 | L100-S102 PolarHBondContact O-N 3.22Å; S102-V104 PolarHBondContact O-N 3.23Å |
| 103 | N | 49.6 | Very low | 53.6 | Low | 164 Ų | 164 | 148.6 Ų | 148.6 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | | | trans | -65.6 | 80.1 | 154.4 | -92.1 | -50.5 | 0 | 0 | 0 | 108 | | |
| 104 | V | 53.8 | Low | 53.2 | Low | 124 Ų | 124 | 151.8 Ų | 151.8 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | | | trans | -112.2 | 121.2 | 169.4 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | S102 | S102-V104 PolarHBondContact O-N 3.23Š|
| 105 | A | 50.4 | Low | 53 | Low | 93 Ų | 93 | 149.7 Ų | 149.7 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | | | trans | 70.4 | 78.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | K107 | A105-K107 PolarHBondContact O-N 3.42Š|
| 106 | R | 55.9 | Low | 52.3 | Low | 241 Ų | 241 | 144.5 Ų | 144.5 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | | | trans | -44.6 | 123.8 | 151.3 | -71 | 173.7 | -76.4 | 162.4 | -2.8 | 110.6 | A108 | R106-A108 PolarHBondContact O-N 2.96Š|
| 107 | K | 47.3 | Very low | 51.5 | Low | 217 Ų | 217 | 146.6 Ų | 146.6 | 94% | 0.943 | 84% | 0.836 | S | S | * | * | | | trans | -53.6 | 110.5 | 155.3 | -172.7 | 176.3 | -174.6 | 177.7 | 0 | 108.7 | A105 | A105-K107 PolarHBondContact O-N 3.42Š|
| 108 | A | 53.2 | Low | 51.2 | Low | 96 Ų | 96 | 147.1 Ų | 147.1 | 79% | 0.793 | 83% | 0.833 | S | S | * | * | | | trans | -158.6 | 117.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R106 | R106-A108 PolarHBondContact O-N 2.96Š|
| 109 | G | 47.3 | Very low | 50.8 | Low | 76 Ų | 76 | 151.8 Ų | 151.8 | 78% | 0.784 | 85% | 0.85 | S | S | * | * | | | trans | 126.6 | 92.9 | 150 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 110 | K | 46.5 | Very low | 50.6 | Low | 293 Ų | 293 | 152.3 Ų | 152.3 | 100% | 1.274 | 86% | 0.856 | S | S | * | * | | | trans | 78.3 | 0 | 164.1 | -65.3 | -177.6 | 177.7 | 178.6 | 0 | 117.8 | | |