| 1 | M | 49.6 | Very low | 44.9 | Very low | 244 Ų | 244 | 165.2 Ų | 165.2 | 100% | 1.202 | 87% | 0.871 | S | S | * | * | | | | 0 | 110.2 | 0 | -73.3 | -175.7 | -99.8 | 0 | 0 | 108.7 | | |
| 2 | K | 39.8 | Very low | 45 | Very low | 206 Ų | 206 | 156.1 Ų | 156.1 | 90% | 0.896 | 85% | 0.847 | S | S | * | * | | | trans | -141.5 | 122.3 | 170.7 | -70 | -178 | 176.8 | 179.7 | 0 | 105.8 | | |
| 3 | F | 47.6 | Very low | 45.1 | Very low | 203 Ų | 203 | 164.2 Ų | 164.2 | 89% | 0.89 | 86% | 0.857 | S | S | * | * | | | trans | -58.8 | 153.2 | 174.1 | -71.2 | -99.7 | 0 | 0 | 0 | 110.6 | | |
| 4 | L | 42.2 | Very low | 44.3 | Very low | 176 Ų | 176 | 158.4 Ų | 158.4 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | | | trans | -178.2 | 124.1 | 134.3 | -115.3 | 73.9 | 0 | 0 | 0 | 111 | | |
| 5 | G | 38.5 | Very low | 43.7 | Very low | 76 Ų | 76 | 152.8 Ų | 152.8 | 78% | 0.784 | 85% | 0.851 | S | S | * | * | | | trans | 75.2 | 81.5 | 141 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 6 | G | 47.2 | Very low | 43.4 | Very low | 73 Ų | 73 | 152.1 Ų | 152.1 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | | | trans | -74.6 | 118.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 7 | N | 45.9 | Very low | 42.6 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 85% | 0.849 | S | S | * | * | | | trans | 174.5 | 93.6 | 150.8 | -93.6 | 20 | 0 | 0 | 0 | 107 | | |
| 8 | D | 46.5 | Very low | 42.4 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 81% | 0.813 | 85% | 0.85 | S | S | * | * | | | trans | -134.1 | 92.8 | 162.6 | -105.4 | -49.4 | 0 | 0 | 0 | 108.8 | R10 | D8-R10 PolarHBondContact O-N 3.36Å; D8-R10 VanDerWaalsContact O-N 3.15Å |
| 9 | D | 49.5 | Very low | 41.8 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 84% | 0.844 | S | S | * | * | | | trans | -57.3 | 101 | 160.9 | -68.1 | -66.9 | 0 | 0 | 0 | 110.2 | | |
| 10 | R | 49.1 | Very low | 41.7 | Very low | 223 Ų | 223 | 142.5 Ų | 142.5 | 84% | 0.842 | 84% | 0.84 | S | S | * | * | | | trans | -132 | 79.9 | 153.6 | -71.4 | -167.6 | -168.6 | 154.6 | 8.5 | 110.6 | D8 G12 | D8-R10 PolarHBondContact O-N 3.36Å; D8-R10 VanDerWaalsContact O-N 3.15Å; R10-G12 PolarHBondContact O-N 3.46Å |
| 11 | N | 38.3 | Very low | 41.3 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | | | trans | -43.9 | 130.2 | 140 | -168.6 | 8.2 | 0 | 0 | 0 | 109.8 | | |
| 12 | G | 45.5 | Very low | 40.4 | Very low | 56 Ų | 56 | 135.6 Ų | 135.6 | 58% | 0.577 | 82% | 0.816 | S | S | * | * | | | trans | 61.6 | 87.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | R10 | R10-G12 PolarHBondContact O-N 3.46Š|
| 13 | R | 46.6 | Very low | 40.6 | Very low | 261 Ų | 261 | 134.5 Ų | 134.5 | 99% | 0.985 | 82% | 0.818 | S | S | * | * | | | trans | -165.8 | 89.5 | 143 | -105.2 | 167.3 | -144.2 | -158.1 | 6.1 | 110 | | |
| 14 | G | 33.5 | Very low | 39.9 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -148.3 | 57.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 15 | G | 35.9 | Very low | 39.3 | Very low | 75 Ų | 75 | 125.8 Ų | 125.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -96.8 | 106.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 16 | V | 38.2 | Very low | 39.6 | Very low | 142 Ų | 142 | 128 Ų | 128 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -149.9 | 98 | 154.2 | -170.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 17 | G | 30.8 | Very low | 39.1 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -150.4 | 97.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 18 | V | 37.8 | Very low | 38.7 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | | | trans | -66 | 134.7 | -174.5 | -170.1 | 0 | 0 | 0 | 0 | 110 | | |
| 19 | G | 31.1 | Very low | 38.1 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | 179.3 | 69.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 20 | T | 40.5 | Very low | 37.9 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | trans | -59.3 | 145.7 | 155.1 | -41.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 21 | D | 33.2 | Very low | 37.5 | Very low | 155 Ų | 155 | 121.5 Ų | 121.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | 95.1 | 80.5 | 173.2 | -52.8 | -26.2 | 0 | 0 | 0 | 117.1 | | |
| 22 | A | 30.2 | Very low | 37.4 | Very low | 87 Ų | 87 | 120.6 Ų | 120.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | trans | -162.6 | 85.5 | 131.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V24 | A22-V24 PolarHBondContact O-N 3.29Š|
| 23 | I | 44.3 | Very low | 37.1 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | | | trans | -68 | 83.6 | 150.1 | -60.1 | 172 | 0 | 0 | 0 | 105.7 | | |
| 24 | V | 33.3 | Very low | 36.6 | Very low | 132 Ų | 132 | 114.3 Ų | 114.3 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -144.4 | 108.9 | 166.6 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | A22 | A22-V24 PolarHBondContact O-N 3.29Š|
| 25 | G | 29.1 | Very low | 36.8 | Very low | 65 Ų | 65 | 113.6 Ų | 113.6 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | | | trans | 91 | 91.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | R27 | G25-R27 PolarHBondContact O-N 3.15Š|
| 26 | S | 44.3 | Very low | 36.9 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | trans | -42.5 | 109.4 | 142.7 | -55.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 27 | R | 37 | Very low | 37 | Very low | 248 Ų | 248 | 111.9 Ų | 111.9 | 94% | 0.936 | 73% | 0.73 | S | S | * | * | | | trans | -174.7 | 111.4 | 159.1 | -100.3 | 159.5 | -152.3 | -162.3 | 7.6 | 109.8 | G25 | G25-R27 PolarHBondContact O-N 3.15Š|
| 28 | G | 38 | Very low | 37.3 | Very low | 87 Ų | 87 | 111.2 Ų | 111.2 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | | | trans | 95.1 | 90.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 29 | G | 34.4 | Very low | 37.4 | Very low | 46 Ų | 46 | 106.6 Ų | 106.6 | 47% | 0.474 | 70% | 0.697 | S | S | . | * | | | trans | -171.8 | 23.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114.9 | S31 | G29-S31 PolarHBondContact O-N 3.22Š|
| 30 | V | 44 | Very low | 37.9 | Very low | 134 Ų | 134 | 106.2 Ų | 106.2 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 22.4 | 179 | -83.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 31 | S | 40.7 | Very low | 37.8 | Very low | 97 Ų | 97 | 103.4 Ų | 103.4 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | -9.3 | -174.1 | -56.4 | 0 | 0 | 0 | 0 | 114.6 | G29 | G29-S31 PolarHBondContact O-N 3.22Š|
| 32 | Q | 36.2 | Very low | 38.2 | Very low | 145 Ų | 145 | 99 Ų | 99 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -82.5 | -41.8 | 169.6 | -108.9 | 97.2 | 7.3 | 0 | 0 | 111.6 | A34 A35 D36 | Q32-A34 PolarHBondContact O-N 3.27Å; Q32-A35 PolarHBondContact O-N 3.39Å; Q32-D36 PolarHBondContact O-N 3.46Å |
| 33 | D | 38.9 | Very low | 38.5 | Very low | 120 Ų | 120 | 97.5 Ų | 97.5 | 64% | 0.642 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.6 | -26.6 | -173 | -60.9 | -56.1 | 0 | 0 | 0 | 114.4 | A37 | D33-A37 WeakPolarHBondContact O-CB 3.45Å; D33-A37 PolarHBondContact O-N 3.48Å |
| 34 | A | 36.5 | Very low | 38.4 | Very low | 64 Ų | 64 | 92.8 Ų | 92.8 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -76.3 | -28.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q32 A38 | Q32-A34 PolarHBondContact O-N 3.27Å; A34-A38 WeakPolarHBondContact O-CB 3.27Å; A34-A38 PolarHBondContact O-N 3.45Å; A34-A38 VanDerWaalsContact O-N 3.16Å |
| 35 | A | 37.3 | Very low | 38.7 | Very low | 68 Ų | 68 | 90.6 Ų | 90.6 | 56% | 0.562 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.3 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q32 A38 G39 | Q32-A35 PolarHBondContact O-N 3.39Å; A35-A38 PolarHBondContact O-N 2.96Å; A35-G39 PolarHBondContact O-N 2.87Å |
| 36 | D | 39.8 | Very low | 39.2 | Very low | 121 Ų | 121 | 91.9 Ų | 91.9 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.8 | -33.5 | 175.1 | -76.8 | -30.9 | 0 | 0 | 0 | 112.3 | Q32 G39 A40 | Q32-D36 PolarHBondContact O-N 3.46Å; D36-G39 PolarHBondContact O-N 3.17Å; D36-A40 WeakPolarHBondContact O-CB 3.46Å; D36-A40 PolarHBondContact O-N 3.46Å |
| 37 | A | 38.8 | Very low | 38.8 | Very low | 61 Ų | 61 | 89.8 Ų | 89.8 | 50% | 0.504 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.5 | -35.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D33 A40 A41 | D33-A37 WeakPolarHBondContact O-CB 3.45Å; D33-A37 PolarHBondContact O-N 3.48Å; A37-A40 PolarHBondContact O-N 3.5Å; A37-A41 WeakPolarHBondContact O-CB 3.45Å; A37-A41 PolarHBondContact O-N 2.76Å |
| 38 | A | 37.7 | Very low | 38.6 | Very low | 63 Ų | 63 | 86.7 Ų | 86.7 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.8 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A34 A35 A42 | A34-A38 WeakPolarHBondContact O-CB 3.27Å; A34-A38 PolarHBondContact O-N 3.45Å; A34-A38 VanDerWaalsContact O-N 3.16Å; A35-A38 PolarHBondContact O-N 2.96Å; A38-A42 WeakPolarHBondContact O-CB 3.47Å; A38-A42 PolarHBondContact O-N 3.32Å |
| 39 | G | 41 | Very low | 38.4 | Very low | 45 Ų | 45 | 88.7 Ų | 88.7 | 46% | 0.464 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | A35 D36 A43 | A35-G39 PolarHBondContact O-N 2.87Å; D36-G39 PolarHBondContact O-N 3.17Å; G39-A43 PolarHBondContact O-N 3.06Å |
| 40 | A | 41.6 | Very low | 38.3 | Very low | 64 Ų | 64 | 94.7 Ų | 94.7 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.8 | -36 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | D36 A37 A43 A44 | D36-A40 WeakPolarHBondContact O-CB 3.46Å; D36-A40 PolarHBondContact O-N 3.46Å; A37-A40 PolarHBondContact O-N 3.5Å; A40-A43 PolarHBondContact O-N 3.07Å; A40-A44 PolarHBondContact O-N 3.3Å |
| 41 | A | 38.4 | Very low | 37.7 | Very low | 65 Ų | 65 | 97 Ų | 97 | 54% | 0.537 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.1 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A37 A43 A44 A45 | A37-A41 WeakPolarHBondContact O-CB 3.45Å; A37-A41 PolarHBondContact O-N 2.76Å; A41-A43 VanDerWaalsContact C-N 3.31Å; A41-A44 PolarHBondContact O-N 2.93Å; A41-A45 PolarHBondContact O-N 2.86Å |
| 42 | A | 40 | Very low | 37.3 | Very low | 62 Ų | 62 | 100.7 Ų | 100.7 | 51% | 0.512 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.3 | -30.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A38 A44 A45 | A38-A42 WeakPolarHBondContact O-CB 3.47Å; A38-A42 PolarHBondContact O-N 3.32Å; A42-A44 VanDerWaalsContact C-N 3.34Å; A42-A45 PolarHBondContact O-N 3.38Å |
| 43 | A | 38.1 | Very low | 37 | Very low | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75.2 | -19.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G39 A40 A41 | G39-A43 PolarHBondContact O-N 3.06Å; A40-A43 PolarHBondContact O-N 3.07Å; A41-A43 VanDerWaalsContact C-N 3.31Å |
| 44 | A | 41.9 | Very low | 36.7 | Very low | 82 Ų | 82 | 104.8 Ų | 104.8 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85 | -22.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A40 A41 A42 | A40-A44 PolarHBondContact O-N 3.3Å; A41-A44 PolarHBondContact O-N 2.93Å; A42-A44 VanDerWaalsContact C-N 3.34Å |
| 45 | A | 38 | Very low | 36.3 | Very low | 86 Ų | 86 | 106.9 Ų | 106.9 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -84.7 | -14.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A41 A42 | A41-A45 PolarHBondContact O-N 2.86Å; A42-A45 PolarHBondContact O-N 3.38Å |
| 46 | V | 41.4 | Very low | 36.4 | Very low | 93 Ų | 93 | 109.9 Ų | 109.9 | 56% | 0.564 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 104.5 | 167.8 | -174.7 | 0 | 0 | 0 | 0 | 105.8 | Y48 | V46-Y48 HydrophobicContact CG1-CD2 4.03Å; V46-Y48 HydrophobicContact CG1-CE2 4.13Å; V46-Y48 PolarHBondContact O-N 3.17Å |
| 47 | G | 35.1 | Very low | 36.1 | Very low | 78 Ų | 78 | 108 Ų | 108 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 73.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 48 | Y | 31.9 | Very low | 35.9 | Very low | 182 Ų | 182 | 108.7 Ų | 108.7 | 71% | 0.714 | 70% | 0.695 | S | S | * | * | | | trans | -102.2 | 90.3 | 158.3 | -79.8 | -82.7 | 0 | 0 | 0 | 106.8 | V46 F50 | V46-Y48 HydrophobicContact CG1-CD2 4.03Å; V46-Y48 HydrophobicContact CG1-CE2 4.13Å; V46-Y48 PolarHBondContact O-N 3.17Å; Y48-F50 PolarHBondContact O-N 3.25Å |
| 49 | V | 35.4 | Very low | 35.8 | Very low | 129 Ų | 129 | 112.8 Ų | 112.8 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | | | trans | -59.8 | 95.5 | 156.1 | 174.8 | 0 | 0 | 0 | 0 | 105.8 | Q51 | V49-Q51 VanDerWaalsContact C-N 3.27Å; V49-Q51 PolarHBondContact O-N 3.05Å |
| 50 | F | 31.9 | Very low | 35.4 | Very low | 172 Ų | 172 | 114.3 Ų | 114.3 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | trans | -60.1 | 103.9 | 155.3 | -81.9 | -87.2 | 0 | 0 | 0 | 105.3 | Y48 Q52 | Y48-F50 PolarHBondContact O-N 3.25Å; F50-Q52 PolarHBondContact O-N 3.48Å |
| 51 | Q | 31.6 | Very low | 35 | Very low | 183 Ų | 183 | 117.8 Ų | 117.8 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | | | trans | -58.2 | 90 | 153.8 | -78.8 | -168.6 | 89.5 | 0 | 0 | 105.7 | V49 R53 | V49-Q51 VanDerWaalsContact C-N 3.27Å; V49-Q51 PolarHBondContact O-N 3.05Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 3.28Å |
| 52 | Q | 32.3 | Very low | 34.6 | Very low | 174 Ų | 174 | 117.8 Ų | 117.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | -57.2 | 103.5 | 164 | -82 | -177.5 | -1.2 | 0 | 0 | 105.5 | F50 P54 | F50-Q52 PolarHBondContact O-N 3.48Å; Q52-P54 VanDerWaalsContact O-CD 3.27Å; Q52-P54 WeakPolarHBondContact O-CD 3.44Å; Q52-P54 VanDerWaalsContact O-N 3.17Å |
| 53 | R | 29 | Very low | 34.3 | Very low | 228 Ų | 228 | 121.8 Ų | 121.8 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -53 | 119.4 | 167.9 | -136.7 | 179.2 | -174.7 | -131.2 | 2.8 | 106.3 | Q51 S55 | Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 3.28Å; R53-S55 PolarHBondContact O-N 3.46Å |
| 54 | P | 33.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -65.1 | 106.6 | 169.8 | -13.2 | 27.6 | 0 | 0 | 0 | 106.4 | Q52 | Q52-P54 VanDerWaalsContact O-CD 3.27Å; Q52-P54 WeakPolarHBondContact O-CD 3.44Å; Q52-P54 VanDerWaalsContact O-N 3.17Å |
| 55 | S | 28.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -86.5 | 126.2 | 168.5 | -128.6 | 0 | 0 | 0 | 0 | 107.8 | R53 G57 | R53-S55 PolarHBondContact O-N 3.46Å; S55-G57 PolarHBondContact O-N 3.33Å |
| 56 | P | 38.6 | Very low | 33.4 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -73.8 | 121.7 | -173.9 | -7.9 | 23.5 | 0 | 0 | 0 | 110.6 | | |
| 57 | G | 34.6 | Very low | 32.8 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | | | trans | 161.7 | 98.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S55 | S55-G57 PolarHBondContact O-N 3.33Š|
| 58 | G | 33.3 | Very low | 33 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | | | trans | 149 | 58.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G60 | G58-G60 PolarHBondContact O-N 3.14Š|
| 59 | V | 36.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | | | trans | -75.2 | 107.9 | 163.1 | -174.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 60 | G | 31.8 | Very low | 32.9 | Very low | 76 Ų | 76 | 121.1 Ų | 121.1 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | -138.5 | 97.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G58 | G58-G60 PolarHBondContact O-N 3.14Š|
| 61 | V | 33.2 | Very low | 33.1 | Very low | 138 Ų | 138 | 119.2 Ų | 119.2 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | | | trans | -76.8 | 140.8 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 62 | G | 29.6 | Very low | 33.2 | Very low | 64 Ų | 64 | 113.9 Ų | 113.9 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | | | trans | 146.5 | 91.1 | 164 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 63 | V | 34.2 | Very low | 33.6 | Very low | 147 Ų | 147 | 113.3 Ų | 113.3 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | | | | 48 | 103.3 | 73.9 | -170.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 64 | G | 30.3 | Very low | 33.8 | Very low | 84 Ų | 84 | 105.8 Ų | 105.8 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | | | trans | 108.6 | 107.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 65 | G | 28.5 | Very low | 33.8 | Very low | 80 Ų | 80 | 104.7 Ų | 104.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | 172.6 | 85.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 66 | V | 40.4 | Very low | 34.7 | Very low | 162 Ų | 162 | 107 Ų | 107 | 98% | 0.982 | 83% | 0.833 | S | S | * | * | | | trans | -63.4 | 126.8 | 177.4 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 67 | G | 29.1 | Very low | 35 | Very low | 71 Ų | 71 | 104.1 Ų | 104.1 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | | | trans | 178.1 | 111.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 68 | G | 39 | Very low | 34.9 | Very low | 90 Ų | 90 | 104.9 Ų | 104.9 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | | | trans | -65.5 | 155.3 | -159.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 69 | G | 30 | Very low | 35.3 | Very low | 68 Ų | 68 | 106.7 Ų | 106.7 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | 156.2 | 101.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 70 | V | 35.8 | Very low | 35.5 | Very low | 138 Ų | 138 | 108 Ų | 108 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | trans | 70.3 | 118.1 | 158.3 | -158.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 71 | P | 36 | Very low | 36 | Very low | 132 Ų | 132 | 112.2 Ų | 112.2 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -77.1 | 125.2 | 168.9 | -2.7 | 19.8 | 0 | 0 | 0 | 111.7 | | |
| 72 | G | 33.3 | Very low | 36.3 | Very low | 70 Ų | 70 | 113.5 Ų | 113.5 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | 100.1 | 72.1 | 132.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 73 | V | 41.4 | Very low | 36.6 | Very low | 162 Ų | 162 | 113.5 Ų | 113.5 | 98% | 0.982 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -126.9 | 87.8 | 140.2 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 74 | G | 33.2 | Very low | 36.8 | Very low | 71 Ų | 71 | 109.8 Ų | 109.8 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | 164.2 | 91.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 75 | A | 32.8 | Very low | 37.1 | Very low | 99 Ų | 99 | 109.2 Ų | 109.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | 155.3 | 136 | 130.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G77 | A75-G77 PolarHBondContact O-N 3.3Š|
| 76 | V | 46.9 | Very low | 37.6 | Very low | 158 Ų | 158 | 108.5 Ų | 108.5 | 96% | 0.958 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -47.2 | 122.3 | 166.1 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 77 | G | 44.8 | Very low | 37.7 | Very low | 69 Ų | 69 | 107.7 Ų | 107.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | 108.5 | 92.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117 | A75 | A75-G77 PolarHBondContact O-N 3.3Š|
| 78 | S | 32 | Very low | 38.1 | Very low | 98 Ų | 98 | 112.3 Ų | 112.3 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -169.7 | 110.6 | 141.7 | 47.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 79 | T | 43.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 111.1 Ų | 111.1 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | | | trans | 61.2 | 93.8 | 135.5 | 63.4 | 0 | 0 | 0 | 0 | 121.1 | H81 | T79-H81 PolarHBondContact O-N 2.64Š|
| 80 | L | 40.8 | Very low | 38.6 | Very low | 176 Ų | 176 | 110.8 Ų | 110.8 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | S | Bend | | 36.6 | 0.3 | 126.6 | -75.9 | 152.2 | 0 | 0 | 0 | 123.1 | | |
| 81 | H | 41.3 | Very low | 38.7 | Very low | 166 Ų | 166 | 110 Ų | 110 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -102.2 | -18.9 | -175.6 | -149.9 | 80.3 | 0 | 0 | 0 | 114 | T79 | T79-H81 PolarHBondContact O-N 2.64Š|
| 82 | E | 39.6 | Very low | 39.2 | Very low | 164 Ų | 164 | 109.8 Ų | 109.8 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -91.4 | -12 | -178.8 | -75.7 | 153.8 | 160 | 0 | 0 | 113.8 | | |
| 83 | A | 35.3 | Very low | 39.6 | Very low | 64 Ų | 64 | 109.1 Ų | 109.1 | 53% | 0.529 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -71.7 | -29.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 84 | A | 38.8 | Very low | 39.7 | Very low | 69 Ų | 69 | 106.9 Ų | 106.9 | 57% | 0.57 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.1 | -26.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 85 | A | 36.5 | Very low | 40.1 | Very low | 73 Ų | 73 | 110 Ų | 110 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.8 | -29.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 86 | A | 40 | Very low | 40.7 | Very low | 64 Ų | 64 | 112 Ų | 112 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71.8 | -32 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A89 A90 | A86-A89 PolarHBondContact O-N 3.31Å; A86-A90 PolarHBondContact O-N 3.06Å |
| 87 | E | 41.9 | Very low | 40.6 | Very low | 145 Ų | 145 | 111.3 Ų | 111.3 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.4 | -31.3 | 178.2 | -69.2 | -177.9 | 165.6 | 0 | 0 | 112.5 | H91 | E87-H91 PolarHBondContact O-N 3.05Å |
| 88 | Y | 36.4 | Very low | 40.5 | Very low | 168 Ų | 168 | 114.6 Ų | 114.6 | 66% | 0.659 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.1 | -33.5 | 177.4 | -161.7 | -97.7 | 0 | 0 | 0 | 112.9 | F92 | Y88-F92 HydrophobicContact CE1-CD2 4.28Å; Y88-F92 HydrophobicContact CE1-CE2 4.48Å; Y88-F92 PolarHBondContact O-N 3.4Å |
| 89 | A | 40.3 | Very low | 41 | Very low | 65 Ų | 65 | 114 Ų | 114 | 54% | 0.537 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.2 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A86 F92 A93 | A86-A89 PolarHBondContact O-N 3.31Å; A89-F92 PolarHBondContact O-N 3.47Å; A89-A93 PolarHBondContact O-N 3.49Å |
| 90 | A | 41.1 | Very low | 40.8 | Very low | 61 Ų | 61 | 118.6 Ų | 118.6 | 50% | 0.504 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.7 | -36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A86 F92 A93 Q94 | A86-A90 PolarHBondContact O-N 3.06Å; A90-F92 VanDerWaalsContact C-N 3.33Å; A90-F92 PolarHBondContact O-N 3.38Å; A90-A93 PolarHBondContact O-N 3.32Å; A90-Q94 PolarHBondContact O-N 3.46Å; A90-Q94 VanDerWaalsContact O-N 3.13Å |
| 91 | H | 38 | Very low | 40.7 | Very low | 121 Ų | 121 | 120 Ų | 120 | 56% | 0.56 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.7 | -30.2 | 178.9 | -124.1 | -84.4 | 0 | 0 | 0 | 113.1 | E87 K95 | E87-H91 PolarHBondContact O-N 3.05Å; H91-K95 PolarHBondContact O-N 3.44Å |
| 92 | F | 44.6 | Very low | 40.6 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.3 | -37 | 175.1 | -126 | -87.7 | 0 | 0 | 0 | 112.3 | Y88 A89 A90 K95 Q96 | Y88-F92 HydrophobicContact CE1-CD2 4.28Å; Y88-F92 HydrophobicContact CE1-CE2 4.48Å; Y88-F92 PolarHBondContact O-N 3.4Å; A89-F92 PolarHBondContact O-N 3.47Å; A90-F92 VanDerWaalsContact C-N 3.33Å; A90-F92 PolarHBondContact O-N 3.38Å; F92-K95 PolarHBondContact O-N 3.07Å; F92-Q96 PolarHBondContact O-N 3.04Å |
| 93 | A | 42.9 | Very low | 40.5 | Very low | 57 Ų | 57 | 113.2 Ų | 113.2 | 47% | 0.471 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.6 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A89 A90 Q96 Q97 | A89-A93 PolarHBondContact O-N 3.49Å; A90-A93 PolarHBondContact O-N 3.32Å; A93-Q96 PolarHBondContact O-N 3.49Å; A93-Q97 PolarHBondContact O-N 3.04Å |
| 94 | Q | 43.1 | Very low | 40.8 | Very low | 115 Ų | 115 | 113.7 Ų | 113.7 | 54% | 0.537 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.4 | -39.1 | 173.9 | -107.6 | -178.1 | -4.7 | 0 | 0 | 112.9 | A90 Q96 Q97 Q98 | A90-Q94 PolarHBondContact O-N 3.46Å; A90-Q94 VanDerWaalsContact O-N 3.13Å; Q94-Q96 VanDerWaalsContact C-N 3.33Å; Q94-Q96 PolarHBondContact O-N 3.06Å; Q94-Q97 PolarHBondContact O-N 3.37Å; Q94-Q98 PolarHBondContact O-N 3.17Å; Q94-Q98 VanDerWaalsContact O-N 3.11Å |
| 95 | K | 42.2 | Very low | 40.9 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 60% | 0.596 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.5 | -37 | 176.8 | -79.6 | -168.9 | -179.4 | -172.1 | 0 | 112.6 | H91 F92 Q97 Q98 T99 | H91-K95 PolarHBondContact O-N 3.44Å; F92-K95 PolarHBondContact O-N 3.07Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 3.18Å; K95-Q98 PolarHBondContact O-N 3.29Å; K95-T99 PolarHBondContact O-N 3.29Å; K95-T99 PolarHBondContact O-OG1 3.01Å |
| 96 | Q | 45.1 | Very low | 41.2 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 66% | 0.659 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.7 | -33.4 | 175.7 | -68.8 | -122.3 | -11.3 | 0 | 0 | 112.9 | F92 A93 Q94 R100 | F92-Q96 PolarHBondContact O-N 3.04Å; A93-Q96 PolarHBondContact O-N 3.49Å; Q94-Q96 VanDerWaalsContact C-N 3.33Å; Q94-Q96 PolarHBondContact O-N 3.06Å; Q96-R100 WeakPolarHBondContact O-CB 3.47Å; Q96-R100 PolarHBondContact O-N 3.46Å; Q96-R100 VanDerWaalsContact O-N 3.14Å |
| 97 | Q | 44.5 | Very low | 41.5 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.2 | -23.9 | 174.8 | -67.1 | -169.5 | 3.9 | 0 | 0 | 113.3 | A93 Q94 K95 | A93-Q97 PolarHBondContact O-N 3.04Å; Q94-Q97 PolarHBondContact O-N 3.37Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 3.18Å |
| 98 | Q | 42.4 | Very low | 41.2 | Very low | 138 Ų | 138 | 122.5 Ų | 122.5 | 65% | 0.645 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83.6 | -36.8 | 172.4 | -70.6 | 179.6 | -3.2 | 0 | 0 | 112 | Q94 K95 W101 A102 | Q94-Q98 PolarHBondContact O-N 3.17Å; Q94-Q98 VanDerWaalsContact O-N 3.11Å; K95-Q98 PolarHBondContact O-N 3.29Å; Q98-W101 PolarHBondContact O-N 3.49Å; Q98-A102 PolarHBondContact O-N 3.03Å |
| 99 | T | 42.4 | Very low | 41.3 | Very low | 86 Ų | 86 | 117.9 Ų | 117.9 | 53% | 0.528 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -73 | -30.3 | 179.2 | -51.7 | 0 | 0 | 0 | 0 | 113.1 | K95 W101 A102 | K95-T99 PolarHBondContact O-N 3.29Å; K95-T99 PolarHBondContact O-OG1 3.01Å; T99-W101 PolarHBondContact O-N 3.43Å; T99-A102 PolarHBondContact O-N 2.96Å |
| 100 | R | 39.5 | Very low | 41.7 | Very low | 209 Ų | 209 | 123 Ų | 123 | 79% | 0.789 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -13.7 | 175 | -173.9 | 162.4 | 171 | -96.1 | -0.4 | 113.8 | Q96 | Q96-R100 WeakPolarHBondContact O-CB 3.47Å; Q96-R100 PolarHBondContact O-N 3.46Å; Q96-R100 VanDerWaalsContact O-N 3.14Å |
| 101 | W | 38.8 | Very low | 41.7 | Very low | 206 Ų | 206 | 127.5 Ų | 127.5 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -5.5 | 176.4 | -66.8 | 72.3 | 0 | 0 | 0 | 113.1 | Q98 T99 | Q98-W101 PolarHBondContact O-N 3.49Å; T99-W101 PolarHBondContact O-N 3.43Å |
| 102 | A | 38.8 | Very low | 41.7 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 65% | 0.645 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -99.4 | 1.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q98 T99 | Q98-A102 PolarHBondContact O-N 3.03Å; T99-A102 PolarHBondContact O-N 2.96Å |
| 103 | C | 38.4 | Very low | 41.8 | Very low | 110 Ų | 110 | 124 Ų | 124 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -120.7 | 77.3 | 176 | -55.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 104 | G | 40.8 | Very low | 41.9 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 159.1 | 5.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 105 | D | 41.5 | Very low | 42 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | | | trans | -120.8 | 55.2 | 177.3 | -164.2 | 32.1 | 0 | 0 | 0 | 111.3 | G107 | D105-G107 PolarHBondContact O-N 3.05Å; D105-G107 VanDerWaalsContact O-N 3.07Å |
| 106 | D | 42.4 | Very low | 42 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 90% | 0.898 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -81.4 | 78 | 160.6 | -67 | -42.4 | 0 | 0 | 0 | 107.8 | | |
| 107 | G | 45.9 | Very low | 42 | Very low | 47 Ų | 47 | 135.5 Ų | 135.5 | 49% | 0.485 | 72% | 0.715 | S | S | . | * | S | Bend | trans | 38.9 | 95.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | D105 | D105-G107 PolarHBondContact O-N 3.05Å; D105-G107 VanDerWaalsContact O-N 3.07Å |
| 108 | H | 37.1 | Very low | 41.9 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | | | trans | -154.6 | 129.5 | 132 | -78.1 | -55.6 | 0 | 0 | 0 | 108.1 | | |
| 109 | G | 38 | Very low | 41.8 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | | | trans | -47.4 | 143.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D111 | G109-D111 PolarHBondContact O-N 3.41Š|
| 110 | I | 47.6 | Very low | 41.7 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | | | trans | -65.4 | 79.9 | 168 | -55.3 | 177.2 | 0 | 0 | 0 | 107.7 | | |
| 111 | D | 41.7 | Very low | 41.9 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | | | trans | -124.6 | 109.9 | 161.8 | -91.5 | -44.6 | 0 | 0 | 0 | 107.3 | G109 | G109-D111 PolarHBondContact O-N 3.41Š|
| 112 | N | 37.1 | Very low | 41.9 | Very low | 83 Ų | 83 | 133 Ų | 133 | 44% | 0.444 | 73% | 0.733 | S | S | . | * | | | trans | 125 | 95.7 | 156.9 | -155.3 | 73.8 | 0 | 0 | 0 | 114.4 | D114 | N112-D114 PolarHBondContact ND2-N 3.03Å; N112-D114 PolarHBondContact O-N 3.41Å; N112-D114 VanDerWaalsContact O-N 3.13Å |
| 113 | P | 46.8 | Very low | 41.9 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -68.5 | -7.2 | 178.9 | 28.5 | -33.4 | 0 | 0 | 0 | 114.3 | K115 | P113-K115 PolarHBondContact O-N 3.48Š|
| 114 | D | 46.3 | Very low | 42.1 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -86.9 | 1.8 | -175.6 | -60 | -40.7 | 0 | 0 | 0 | 115 | N112 | N112-D114 PolarHBondContact ND2-N 3.03Å; N112-D114 PolarHBondContact O-N 3.41Å; N112-D114 VanDerWaalsContact O-N 3.13Å |
| 115 | K | 44.4 | Very low | 42.2 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 73% | 0.726 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -81.1 | -12.2 | 179.2 | -64.5 | -72.5 | -173.7 | 177.2 | 0 | 113.7 | P113 K117 | P113-K115 PolarHBondContact O-N 3.48Å; K115-K117 PolarHBondContact O-N 2.97Å |
| 116 | W | 42.7 | Very low | 42.2 | Very low | 223 Ų | 223 | 137.5 Ų | 137.5 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -75 | -6.7 | -179.9 | -53.9 | -21.7 | 0 | 0 | 0 | 113.9 | Y118 | W116-Y118 VanDerWaalsContact C-N 3.26Å; W116-Y118 PolarHBondContact O-N 2.68Å |
| 117 | K | 44.9 | Very low | 42.1 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -83.1 | 4 | -178.2 | -145.5 | 165.1 | 72.6 | -175.4 | 0 | 114.6 | K115 | K115-K117 PolarHBondContact O-N 2.97Š|
| 118 | Y | 41.9 | Very low | 41.6 | Very low | 213 Ų | 213 | 136.1 Ų | 136.1 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | | | trans | -133.9 | 79.6 | 171 | -74.3 | -80.7 | 0 | 0 | 0 | 110.7 | W116 | W116-Y118 VanDerWaalsContact C-N 3.26Å; W116-Y118 PolarHBondContact O-N 2.68Å |
| 119 | N | 41.5 | Very low | 41.6 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | | | trans | -106.7 | 118.6 | 154.3 | -161 | 55.4 | 0 | 0 | 0 | 106.9 | | |
| 120 | P | 39.6 | Very low | 41.7 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 62% | 0.623 | 75% | 0.753 | S | S | * | * | | | trans | -62.8 | 152.9 | 169.9 | 29.1 | -31.2 | 0 | 0 | 0 | 108.5 | M122 | P120-M122 PolarHBondContact O-N 2.96Š|
| 121 | P | 44.3 | Very low | 41.3 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | | | trans | -63.1 | 107.9 | -179.1 | 25.3 | -31.7 | 0 | 0 | 0 | 109.1 | N123 | P121-N123 PolarHBondContact O-N 3.38Š|
| 122 | M | 38 | Very low | 41.3 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | trans | -63.3 | 108.3 | 163.7 | -81.2 | -150.7 | -59.1 | 0 | 0 | 107.4 | P120 | P120-M122 PolarHBondContact O-N 2.96Š|
| 123 | N | 39.2 | Very low | 41.5 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | | | trans | -60.7 | 125.7 | 170.8 | -171.8 | 8.9 | 0 | 0 | 0 | 109 | P121 A125 | P121-N123 PolarHBondContact O-N 3.38Å; N123-A125 PolarHBondContact O-N 3.34Å |
| 124 | P | 42.2 | Very low | 40.9 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -67.1 | 4.7 | -177.4 | -19.3 | 31.5 | 0 | 0 | 0 | 115.6 | N126 | P124-N126 PolarHBondContact O-N 3.16Š|
| 125 | A | 42.5 | Very low | 40.6 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -80.6 | -2.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N123 | N123-A125 PolarHBondContact O-N 3.34Š|
| 126 | N | 42.6 | Very low | 40.2 | Very low | 159 Ų | 159 | 127 Ų | 127 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -129.4 | 25.8 | -170 | -149.3 | 72.4 | 0 | 0 | 0 | 116.7 | P124 | P124-N126 PolarHBondContact O-N 3.16Š|
| 127 | A | 39.5 | Very low | 40.1 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -110.1 | 30.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 128 | A | 35.9 | Very low | 40.1 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -98.3 | 133.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G130 | A128-G130 PolarHBondContact O-N 3.23Š|
| 129 | P | 36.7 | Very low | 39.8 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -61.8 | 126.9 | 177.3 | -18.8 | 30.5 | 0 | 0 | 0 | 112 | | |
| 130 | G | 40.4 | Very low | 39.4 | Very low | 85 Ų | 85 | 113 Ų | 113 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | 32.8 | 100.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | A128 | A128-G130 PolarHBondContact O-N 3.23Š|
| 131 | G | 38.8 | Very low | 39.6 | Very low | 69 Ų | 69 | 115.2 Ų | 115.2 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -105.3 | 150.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 132 | P | 41.1 | Very low | 39.2 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | -68.4 | 156.2 | -172.1 | 29.8 | -34.2 | 0 | 0 | 0 | 112.4 | G134 | P132-G134 PolarHBondContact O-N 3.33Å; P132-G134 VanDerWaalsContact O-N 3.08Å |
| 133 | P | 42.2 | Very low | 39.6 | Very low | 139 Ų | 139 | 109.2 Ų | 109.2 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | -70.9 | 109 | -168.1 | 28 | -32.4 | 0 | 0 | 0 | 111.1 | | |
| 134 | G | 34.8 | Very low | 39.7 | Very low | 78 Ų | 78 | 110.4 Ų | 110.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -104.7 | 126.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P132 | P132-G134 PolarHBondContact O-N 3.33Å; P132-G134 VanDerWaalsContact O-N 3.08Å |
| 135 | N | 39.1 | Very low | 39.4 | Very low | 169 Ų | 169 | 107 Ų | 107 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | | | trans | -74 | 129.5 | -167.3 | -162.4 | 64.7 | 0 | 0 | 0 | 113.9 | | |
| 136 | G | 36.3 | Very low | 39.5 | Very low | 64 Ų | 64 | 110.3 Ų | 110.3 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | trans | 72.5 | 132.4 | 141.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 137 | S | 40.8 | Very low | 39.5 | Very low | 126 Ų | 126 | 109.9 Ų | 109.9 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | | | trans | 87.6 | 106.9 | 149.3 | -59.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 138 | N | 45 | Very low | 39.4 | Very low | 177 Ų | 177 | 108.3 Ų | 108.3 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | | | trans | 12.1 | 114.3 | 147.2 | -73.6 | -10.5 | 0 | 0 | 0 | 117.9 | | |
| 139 | G | 34.3 | Very low | 39.8 | Very low | 75 Ų | 75 | 113.8 Ų | 113.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | 169.6 | 113.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 140 | G | 33.8 | Very low | 39.9 | Very low | 68 Ų | 68 | 111 Ų | 111 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | -60.4 | 166.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G142 | G140-G142 PolarHBondContact O-N 3.39Š|
| 141 | P | 44 | Very low | 39.9 | Very low | 142 Ų | 142 | 113.3 Ų | 113.3 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | | | trans | -71.7 | 95.2 | -176.5 | 28.4 | -31.6 | 0 | 0 | 0 | 110.5 | | |
| 142 | G | 35 | Very low | 39.9 | Very low | 57 Ų | 57 | 113.3 Ų | 113.3 | 59% | 0.588 | 81% | 0.806 | S | S | * | * | | | trans | -70.4 | 142.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G140 I144 | G140-G142 PolarHBondContact O-N 3.39Å; G142-I144 PolarHBondContact O-N 3.13Å |
| 143 | A | 46.7 | Very low | 39.8 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | | | trans | -59.7 | 102.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | G145 | A143-G145 PolarHBondContact O-N 3.43Š|
| 144 | I | 41.9 | Very low | 39.5 | Very low | 153 Ų | 153 | 112.9 Ų | 112.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | | | trans | -87.4 | 110.5 | 170 | -60.4 | -175.4 | 0 | 0 | 0 | 106.8 | G142 | G142-I144 PolarHBondContact O-N 3.13Š|
| 145 | G | 35.9 | Very low | 39.7 | Very low | 55 Ų | 55 | 113 Ų | 113 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | | | trans | -58 | 166.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A143 I147 | A143-G145 PolarHBondContact O-N 3.43Å; G145-I147 PolarHBondContact O-N 3.29Å |
| 146 | T | 44.2 | Very low | 39.4 | Very low | 146 Ų | 146 | 108.9 Ų | 108.9 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | | | trans | -44.3 | 104.5 | 170.5 | 45.9 | 0 | 0 | 0 | 0 | 110.6 | G148 | T146-G148 VanDerWaalsContact C-N 3.31Å; T146-G148 PolarHBondContact O-N 3.38Å |
| 147 | I | 42.7 | Very low | 39.4 | Very low | 150 Ų | 150 | 110 Ų | 110 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -69.8 | 97.6 | 168.8 | -62.3 | 175.2 | 0 | 0 | 0 | 105.8 | G145 M149 | G145-I147 PolarHBondContact O-N 3.29Å; I147-M149 PolarHBondContact O-N 3.43Å |
| 148 | G | 37.8 | Very low | 39.1 | Very low | 69 Ų | 69 | 107.5 Ų | 107.5 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | -62.5 | 119.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T146 G150 | T146-G148 VanDerWaalsContact C-N 3.31Å; T146-G148 PolarHBondContact O-N 3.38Å; G148-G150 PolarHBondContact O-N 3.03Å |
| 149 | M | 43.9 | Very low | 38.8 | Very low | 200 Ų | 200 | 105.2 Ų | 105.2 | 99% | 0.985 | 81% | 0.809 | S | S | * | * | | | trans | -76.3 | 110.7 | 156.8 | -71.3 | -174.5 | -171.2 | 0 | 0 | 107.3 | I147 | I147-M149 PolarHBondContact O-N 3.43Š|
| 150 | G | 38.9 | Very low | 38.9 | Very low | 72 Ų | 72 | 105.4 Ų | 105.4 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | 173.4 | 71.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G148 G152 | G148-G150 PolarHBondContact O-N 3.03Å; G150-G152 PolarHBondContact O-N 3.19Å |
| 151 | S | 41.7 | Very low | 39 | Very low | 134 Ų | 134 | 107.2 Ų | 107.2 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | | | trans | -64.7 | 118.6 | 159 | -170.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 152 | G | 37.9 | Very low | 38.6 | Very low | 69 Ų | 69 | 104.3 Ų | 104.3 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | -176.4 | 102 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G150 | G150-G152 PolarHBondContact O-N 3.19Š|
| 153 | L | 39.8 | Very low | 38.5 | Very low | 177 Ų | 177 | 105.7 Ų | 105.7 | 93% | 0.927 | 83% | 0.829 | S | S | * | * | | | trans | -58.7 | 149.6 | 171.3 | -86.4 | 65.2 | 0 | 0 | 0 | 112.9 | | |
| 154 | G | 35.8 | Very low | 38 | Very low | 78 Ų | 78 | 104 Ų | 104 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | 114.1 | 122.1 | 164 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 155 | G | 37.4 | Very low | 38.1 | Very low | 80 Ų | 80 | 104.1 Ų | 104.1 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | | | cis | 125 | 106.6 | 26.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 156 | G | 34.5 | Very low | 38.5 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | | | trans | 86.3 | 117.6 | 157 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 157 | G | 34.8 | Very low | 37.9 | Very low | 88 Ų | 88 | 106.4 Ų | 106.4 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | | | | 89 | 143.2 | 128.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 158 | G | 35.1 | Very low | 37.8 | Very low | 73 Ų | 73 | 103.2 Ų | 103.2 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | | | trans | 121.6 | 79.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 159 | S | 39.1 | Very low | 37.9 | Very low | 130 Ų | 130 | 106.1 Ų | 106.1 | 91% | 0.909 | 85% | 0.851 | S | S | * | * | | | trans | -31.1 | 144.5 | 142.4 | 42.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 160 | G | 35.1 | Very low | 37.7 | Very low | 79 Ų | 79 | 99.6 Ų | 99.6 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | | | trans | 169.3 | 103.7 | 162 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 161 | A | 37.7 | Very low | 37.9 | Very low | 106 Ų | 106 | 103.1 Ų | 103.1 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | | | trans | -63.5 | 154.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 162 | G | 35.1 | Very low | 38.2 | Very low | 80 Ų | 80 | 104.8 Ų | 104.8 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | | | trans | 95.1 | 121 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 163 | G | 32.8 | Very low | 38.2 | Very low | 87 Ų | 87 | 104.9 Ų | 104.9 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | | | trans | 95.6 | 133.8 | 131.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 164 | G | 35.2 | Very low | 38 | Very low | 77 Ų | 77 | 99 Ų | 99 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | 114.8 | 118 | 139.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 165 | N | 45.7 | Very low | 38.5 | Very low | 155 Ų | 155 | 103.9 Ų | 103.9 | 83% | 0.829 | 83% | 0.83 | S | S | * | * | | | trans | -61.3 | 162.2 | 171.6 | -63.9 | 9.3 | 0 | 0 | 0 | 113.7 | | |
| 166 | N | 43.1 | Very low | 38.9 | Very low | 170 Ų | 170 | 107.6 Ų | 107.6 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | 87.7 | 131.5 | 158.1 | -78.1 | 1.7 | 0 | 0 | 0 | 120.3 | | |
| 167 | G | 32.5 | Very low | 39.5 | Very low | 78 Ų | 78 | 111.4 Ų | 111.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | 124.2 | 96.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 168 | G | 40.9 | Very low | 39.9 | Very low | 84 Ų | 84 | 115.9 Ų | 115.9 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | | 80.1 | 77.8 | 50.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 169 | S | 38.1 | Very low | 40.2 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | 162.6 | 131.8 | 161.3 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 170 | G | 39.6 | Very low | 40.2 | Very low | 63 Ų | 63 | 117.6 Ų | 117.6 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | | | cis | -160.1 | 120.7 | -10.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | N172 | G170-N172 VanDerWaalsContact C-N 3.27Å; G170-N172 PolarHBondContact O-N 2.99Å |
| 171 | T | 44.7 | Very low | 40.5 | Very low | 145 Ų | 145 | 117.2 Ų | 117.2 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -79.6 | 78.4 | 176.3 | -41.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 172 | N | 46.3 | Very low | 40.6 | Very low | 170 Ų | 170 | 115.2 Ų | 115.2 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | -123.2 | 82.6 | 163.2 | -84.9 | -23.2 | 0 | 0 | 0 | 108.2 | G170 | G170-N172 VanDerWaalsContact C-N 3.27Å; G170-N172 PolarHBondContact O-N 2.99Å |
| 173 | G | 38.4 | Very low | 40.9 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | | | trans | -145.7 | 72.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 174 | G | 36.8 | Very low | 41.2 | Very low | 54 Ų | 54 | 112.5 Ų | 112.5 | 56% | 0.557 | 74% | 0.739 | S | S | * | * | | | trans | 48.4 | 100.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | H176 | G174-H176 VanDerWaalsContact C-N 3.25Å; G174-H176 PolarHBondContact O-N 3.02Å |
| 175 | L | 46.3 | Very low | 41.6 | Very low | 179 Ų | 179 | 111.9 Ų | 111.9 | 94% | 0.937 | 73% | 0.726 | S | S | * | * | S | Bend | | 36.2 | 27.8 | 121.6 | -64 | 169.7 | 0 | 0 | 0 | 121.1 | | |
| 176 | H | 46 | Very low | 41.5 | Very low | 159 Ų | 159 | 109.5 Ų | 109.5 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | | | trans | -128.6 | 21.5 | -176 | -79.9 | -90.4 | 0 | 0 | 0 | 115.6 | G174 | G174-H176 VanDerWaalsContact C-N 3.25Å; G174-H176 PolarHBondContact O-N 3.02Å |
| 177 | H | 45.2 | Very low | 41.3 | Very low | 161 Ų | 161 | 107.3 Ų | 107.3 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -131.6 | 14.7 | 178.2 | -80.9 | -87.6 | 0 | 0 | 0 | 116 | | |
| 178 | Q | 44.1 | Very low | 41.5 | Very low | 183 Ų | 183 | 106 Ų | 106 | 86% | 0.855 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -85.3 | -21.3 | 171.3 | -79.5 | -175.2 | 0.3 | 0 | 0 | 114 | | |
| 179 | S | 40.8 | Very low | 41.5 | Very low | 94 Ų | 94 | 104.5 Ų | 104.5 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.6 | -28.4 | -175.2 | 69 | 0 | 0 | 0 | 0 | 114.8 | A183 | S179-A183 PolarHBondContact O-N 3.38Å |
| 180 | M | 40.2 | Very low | 41.6 | Very low | 145 Ų | 145 | 104.7 Ų | 104.7 | 71% | 0.714 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.8 | -33.1 | 178.9 | -80.8 | -166.6 | -160.3 | 0 | 0 | 113.6 | A182 A183 A184 | M180-A182 VanDerWaalsContact C-N 3.33Å; M180-A182 PolarHBondContact O-N 3.44Å; M180-A183 PolarHBondContact O-N 3.49Å; M180-A184 PolarHBondContact O-N 3.36Å; M180-A184 VanDerWaalsContact O-N 3.12Å |
| 181 | A | 40.7 | Very low | 41.9 | Very low | 71 Ų | 71 | 108.7 Ų | 108.7 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.4 | -36.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A185 | A181-A185 PolarHBondContact O-N 3.13Å |
| 182 | A | 40.8 | Very low | 42 | Very low | 63 Ų | 63 | 108.4 Ų | 108.4 | 52% | 0.521 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -71.9 | -35.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | M180 N186 | M180-A182 VanDerWaalsContact C-N 3.33Å; M180-A182 PolarHBondContact O-N 3.44Å; A182-N186 WeakPolarHBondContact O-CB 3.48Å; A182-N186 PolarHBondContact O-N 3.2Å; A182-N186 VanDerWaalsContact O-N 3.12Å |
| 183 | A | 41.3 | Very low | 41.8 | Very low | 50 Ų | 50 | 103.1 Ų | 103.1 | 41% | 0.413 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.3 | -35.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S179 M180 N186 M187 | S179-A183 PolarHBondContact O-N 3.38Å; M180-A183 PolarHBondContact O-N 3.49Å; A183-N186 PolarHBondContact O-N 3.43Å; A183-M187 PolarHBondContact O-N 3.29Å |
| 184 | A | 39 | Very low | 41.9 | Very low | 61 Ų | 61 | 102.7 Ų | 102.7 | 50% | 0.504 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.1 | -38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M180 N186 M187 A188 | M180-A184 PolarHBondContact O-N 3.36Å; M180-A184 VanDerWaalsContact O-N 3.12Å; A184-N186 VanDerWaalsContact C-N 3.33Å; A184-N186 PolarHBondContact O-N 3.11Å; A184-M187 PolarHBondContact O-N 3.28Å; A184-A188 PolarHBondContact O-N 3.48Å |
| 185 | A | 43.1 | Very low | 42 | Very low | 64 Ų | 64 | 103.1 Ų | 103.1 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.4 | -36 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A181 A188 A189 | A181-A185 PolarHBondContact O-N 3.13Å; A185-A188 PolarHBondContact O-N 3.35Å; A185-A189 PolarHBondContact O-N 3.5Å |
| 186 | N | 43.3 | Very low | 41.9 | Very low | 104 Ų | 104 | 99.8 Ų | 99.8 | 56% | 0.556 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.2 | -29.1 | -179.5 | -151.1 | 18.3 | 0 | 0 | 0 | 113.1 | A182 A183 A184 M190 | A182-N186 WeakPolarHBondContact O-CB 3.48Å; A182-N186 PolarHBondContact O-N 3.2Å; A182-N186 VanDerWaalsContact O-N 3.12Å; A183-N186 PolarHBondContact O-N 3.43Å; A184-N186 VanDerWaalsContact C-N 3.33Å; A184-N186 PolarHBondContact O-N 3.11Å; N186-M190 PolarHBondContact O-N 2.77Å |
| 187 | M | 38.5 | Very low | 41.8 | Very low | 124 Ų | 124 | 95 Ų | 95 | 61% | 0.611 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -74.3 | -35.8 | 173.2 | -83.9 | -176 | -82.1 | 0 | 0 | 113.1 | A183 A184 M190 Q191 | A183-M187 PolarHBondContact O-N 3.29Å; A184-M187 PolarHBondContact O-N 3.28Å; M187-M190 PolarHBondContact O-N 3.48Å; M187-Q191 PolarHBondContact O-N 3.45Å |
| 188 | A | 37.1 | Very low | 41.6 | Very low | 51 Ų | 51 | 94.7 Ų | 94.7 | 42% | 0.421 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.5 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A184 A185 Q191 Q192 | A184-A188 PolarHBondContact O-N 3.48Å; A185-A188 PolarHBondContact O-N 3.35Å; A188-Q191 PolarHBondContact O-N 3.47Å; A188-Q192 PolarHBondContact O-N 3.12Å |
| 189 | A | 41.4 | Very low | 41.2 | Very low | 53 Ų | 53 | 91.4 Ų | 91.4 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -36.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A185 Q192 A193 | A185-A189 PolarHBondContact O-N 3.5Å; A189-Q192 PolarHBondContact O-N 3.43Å; A189-A193 PolarHBondContact O-N 3.33Å; A189-A193 VanDerWaalsContact O-N 3.13Å |
| 190 | M | 39.1 | Very low | 41.3 | Very low | 134 Ų | 134 | 91.6 Ų | 91.6 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68 | -34.7 | 175.4 | -83.3 | -171.6 | 177.6 | 0 | 0 | 113.3 | N186 M187 A193 A194 | N186-M190 PolarHBondContact O-N 2.77Å; M187-M190 PolarHBondContact O-N 3.48Å; M190-A193 PolarHBondContact O-N 3.34Å; M190-A194 PolarHBondContact O-N 3.13Å |
| 191 | Q | 47.4 | Very low | 41.4 | Very low | 147 Ų | 147 | 91.1 Ų | 91.1 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.9 | -34.4 | 176 | -82.6 | 174.4 | -9.8 | 0 | 0 | 112.5 | M187 A188 A195 | M187-Q191 PolarHBondContact O-N 3.45Å; A188-Q191 PolarHBondContact O-N 3.47Å; Q191-A195 WeakPolarHBondContact O-CB 3.48Å; Q191-A195 PolarHBondContact O-N 3.11Å |
| 192 | Q | 46.4 | Very low | 41.3 | Very low | 139 Ų | 139 | 93.7 Ų | 93.7 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.6 | -38.4 | 173 | -73.1 | 177.9 | -25.3 | 0 | 0 | 112 | A188 A189 A195 L196 | A188-Q192 PolarHBondContact O-N 3.12Å; A189-Q192 PolarHBondContact O-N 3.43Å; Q192-A195 PolarHBondContact O-N 3.42Å; Q192-L196 WeakPolarHBondContact O-CB 3.39Å; Q192-L196 WeakPolarHBondContact O-CD1 3.46Å; Q192-L196 WeakPolarHBondContact O-CG 3.35Å; Q192-L196 PolarHBondContact O-N 3.47Å |
| 193 | A | 41.8 | Very low | 41.5 | Very low | 59 Ų | 59 | 95.1 Ų | 95.1 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A189 M190 A197 | A189-A193 PolarHBondContact O-N 3.33Å; A189-A193 VanDerWaalsContact O-N 3.13Å; M190-A193 PolarHBondContact O-N 3.34Å; A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.32Å |
| 194 | A | 40.3 | Very low | 41.6 | Very low | 62 Ų | 62 | 96.2 Ų | 96.2 | 51% | 0.512 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.5 | -34.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M190 A197 K198 | M190-A194 PolarHBondContact O-N 3.13Å; A194-A197 PolarHBondContact O-N 3.5Å; A194-K198 PolarHBondContact O-N 3.01Å |
| 195 | A | 38.3 | Very low | 42 | Very low | 63 Ų | 63 | 99.9 Ų | 99.9 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.2 | -39.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q191 Q192 K198 H199 | Q191-A195 WeakPolarHBondContact O-CB 3.48Å; Q191-A195 PolarHBondContact O-N 3.11Å; Q192-A195 PolarHBondContact O-N 3.42Å; A195-K198 PolarHBondContact O-N 2.91Å; A195-H199 PolarHBondContact O-N 3.21Å |
| 196 | L | 44.4 | Very low | 42.1 | Very low | 108 Ų | 108 | 99.9 Ų | 99.9 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.9 | -34.8 | 173.6 | -79.1 | 158.3 | 0 | 0 | 0 | 112.6 | Q192 H199 N200 | Q192-L196 WeakPolarHBondContact O-CB 3.39Å; Q192-L196 WeakPolarHBondContact O-CD1 3.46Å; Q192-L196 WeakPolarHBondContact O-CG 3.35Å; Q192-L196 PolarHBondContact O-N 3.47Å; L196-H199 PolarHBondContact O-N 3.32Å; L196-N200 PolarHBondContact O-N 3.44Å; L196-N200 PolarHBondContact O-ND2 3.39Å |
| 197 | A | 45.1 | Very low | 42.2 | Very low | 58 Ų | 58 | 98 Ų | 98 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -40.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | A193 A194 H199 N200 H201 | A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.32Å; A194-A197 PolarHBondContact O-N 3.5Å; A197-H199 VanDerWaalsContact C-N 3.33Å; A197-H199 PolarHBondContact O-N 3.38Å; A197-N200 PolarHBondContact O-N 3.47Å; A197-H201 PolarHBondContact O-N 3.42Å |
| 198 | K | 39.7 | Very low | 42.5 | Very low | 155 Ų | 155 | 95 Ų | 95 | 67% | 0.674 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.7 | -32.2 | 175.6 | -158.3 | 179.6 | -175.9 | -173.7 | 0 | 112.4 | A194 A195 M202 | A194-K198 PolarHBondContact O-N 3.01Å; A195-K198 PolarHBondContact O-N 2.91Å; K198-M202 PolarHBondContact O-N 3.14Å |
| 199 | H | 37 | Very low | 42.8 | Very low | 115 Ų | 115 | 95.5 Ų | 95.5 | 53% | 0.532 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.8 | -41.2 | 174.8 | -164.2 | -126 | 0 | 0 | 0 | 112.3 | A195 L196 A197 M202 I203 | A195-H199 PolarHBondContact O-N 3.21Å; L196-H199 PolarHBondContact O-N 3.32Å; A197-H199 VanDerWaalsContact C-N 3.33Å; A197-H199 PolarHBondContact O-N 3.38Å; H199-M202 PolarHBondContact O-N 3.12Å; H199-I203 PolarHBondContact O-N 3.34Å |
| 200 | N | 42.7 | Very low | 43.3 | Very low | 98 Ų | 98 | 97.4 Ų | 97.4 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.9 | -32.1 | 175.4 | -86 | -50.7 | 0 | 0 | 0 | 113.7 | L196 A197 S204 | L196-N200 PolarHBondContact O-N 3.44Å; L196-N200 PolarHBondContact O-ND2 3.39Å; A197-N200 PolarHBondContact O-N 3.47Å; N200-S204 WeakPolarHBondContact O-CB 3.4Å; N200-S204 PolarHBondContact O-N 3.25Å; N200-S204 PolarHBondContact O-OG 3.35Å; N200-S204 VanDerWaalsContact O-OG 3.06Å |
| 201 | H | 41.8 | Very low | 43.6 | Very low | 134 Ų | 134 | 94.6 Ų | 94.6 | 62% | 0.62 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.9 | -33.4 | 177.9 | -125.3 | -43.7 | 0 | 0 | 0 | 112.9 | A197 Q205 | A197-H201 PolarHBondContact O-N 3.42Å; H201-Q205 PolarHBondContact O-N 3.18Å |
| 202 | M | 38.8 | Very low | 43.5 | Very low | 126 Ų | 126 | 91 Ų | 91 | 62% | 0.621 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.9 | -37.9 | 177.8 | -136.5 | -175.8 | -55.8 | 0 | 0 | 112 | K198 H199 Q205 A206 | K198-M202 PolarHBondContact O-N 3.14Å; H199-M202 PolarHBondContact O-N 3.12Å; M202-Q205 PolarHBondContact O-N 3.19Å; M202-A206 PolarHBondContact O-N 3.35Å |
| 203 | I | 45.2 | Very low | 43.4 | Very low | 93 Ų | 93 | 92.3 Ų | 92.3 | 48% | 0.477 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67 | -36.2 | 174.7 | -73.9 | 169.1 | 0 | 0 | 0 | 111.5 | H199 A206 A207 | H199-I203 PolarHBondContact O-N 3.34Å; I203-A206 PolarHBondContact O-N 3.07Å; I203-A207 PolarHBondContact O-N 3.37Å |
| 204 | S | 43.6 | Very low | 43.7 | Very low | 72 Ų | 72 | 97.7 Ų | 97.7 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.5 | -29.1 | 177.7 | -65.1 | 0 | 0 | 0 | 0 | 114 | N200 A207 A208 | N200-S204 WeakPolarHBondContact O-CB 3.4Å; N200-S204 PolarHBondContact O-N 3.25Å; N200-S204 PolarHBondContact O-OG 3.35Å; N200-S204 VanDerWaalsContact O-OG 3.06Å; S204-A207 PolarHBondContact O-N 2.71Å; S204-A208 WeakPolarHBondContact O-CB 3.43Å; S204-A208 PolarHBondContact O-N 2.93Å |
| 205 | Q | 46.7 | Very low | 43.9 | Very low | 138 Ų | 138 | 103.4 Ų | 103.4 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.9 | -32.5 | 172.2 | -78 | -174.8 | 18.7 | 0 | 0 | 112.4 | H201 M202 A209 | H201-Q205 PolarHBondContact O-N 3.18Å; M202-Q205 PolarHBondContact O-N 3.19Å; Q205-A209 WeakPolarHBondContact O-CB 3.41Å; Q205-A209 PolarHBondContact O-N 2.98Å; Q205-A209 VanDerWaalsContact O-N 3.14Å |
| 206 | A | 45.7 | Very low | 44.1 | Very low | 64 Ų | 64 | 108.7 Ų | 108.7 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.7 | -34.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M202 I203 | M202-A206 PolarHBondContact O-N 3.35Å; I203-A206 PolarHBondContact O-N 3.07Å |
| 207 | A | 45 | Very low | 43.8 | Very low | 66 Ų | 66 | 112 Ų | 112 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -75.5 | -34.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | I203 S204 V210 A211 | I203-A207 PolarHBondContact O-N 3.37Å; S204-A207 PolarHBondContact O-N 2.71Å; A207-V210 PolarHBondContact O-N 2.9Å; A207-A211 PolarHBondContact O-N 3.4Å |
| 208 | A | 45.1 | Very low | 43.4 | Very low | 61 Ų | 61 | 118 Ų | 118 | 50% | 0.504 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71.9 | -29.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S204 V210 A211 A212 | S204-A208 WeakPolarHBondContact O-CB 3.43Å; S204-A208 PolarHBondContact O-N 2.93Å; A208-V210 VanDerWaalsContact C-N 3.33Å; A208-V210 PolarHBondContact O-N 3.35Å; A208-A211 PolarHBondContact O-N 3.37Å; A208-A212 PolarHBondContact O-N 3.43Å |
| 209 | A | 44.2 | Very low | 43.5 | Very low | 60 Ų | 60 | 116.6 Ų | 116.6 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.8 | -29.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q205 | Q205-A209 WeakPolarHBondContact O-CB 3.41Å; Q205-A209 PolarHBondContact O-N 2.98Å; Q205-A209 VanDerWaalsContact O-N 3.14Å |
| 210 | V | 50.6 | Low | 43.6 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -79.7 | -33.4 | 176.3 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | A207 A208 A212 Q213 | A207-V210 PolarHBondContact O-N 2.9Å; A208-V210 VanDerWaalsContact C-N 3.33Å; A208-V210 PolarHBondContact O-N 3.35Å; V210-A212 VanDerWaalsContact C-N 3.35Å; V210-Q213 PolarHBondContact O-N 3.04Å |
| 211 | A | 45.6 | Very low | 43.4 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.1 | -29.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A207 A208 | A207-A211 PolarHBondContact O-N 3.4Å; A208-A211 PolarHBondContact O-N 3.37Å |
| 212 | A | 45.7 | Very low | 43.1 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 60% | 0.595 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.5 | -18.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A208 V210 | A208-A212 PolarHBondContact O-N 3.43Å; V210-A212 VanDerWaalsContact C-N 3.35Å |
| 213 | Q | 44.9 | Very low | 42.9 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 77% | 0.771 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -12.7 | 179.7 | -94.4 | -173 | -25.2 | 0 | 0 | 114.8 | V210 | V210-Q213 PolarHBondContact O-N 3.04Š|
| 214 | Q | 47 | Very low | 42.8 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -7.6 | -176.7 | -76.9 | -165.4 | 5.1 | 0 | 0 | 115.8 | | |
| 215 | Q | 45 | Very low | 42.4 | Very low | 182 Ų | 182 | 131 Ų | 131 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 3.7 | -178.5 | -85.3 | -159.2 | -44.6 | 0 | 0 | 116.3 | | |
| 216 | H | 41.9 | Very low | 41.9 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | | | trans | -108.8 | 19.4 | -171.3 | -97 | 88.8 | 0 | 0 | 0 | 117.3 | | |
| 217 | Q | 39.7 | Very low | 41.6 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | | | trans | -124.5 | 82.8 | 173.7 | -72.7 | -163 | 22.3 | 0 | 0 | 113.6 | | |
| 218 | H | 36.4 | Very low | 41.2 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | | | trans | -131.2 | 105.6 | 149.4 | -77.7 | -73.2 | 0 | 0 | 0 | 108.5 | H220 | H218-H220 PolarHBondContact O-N 3.33Š|
| 219 | P | 41.9 | Very low | 41 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | -77.3 | 105.4 | 171 | 29.3 | -28.3 | 0 | 0 | 0 | 108.7 | Q221 | P219-Q221 PolarHBondContact O-N 3.49Š|
| 220 | H | 38.2 | Very low | 40.6 | Very low | 161 Ų | 161 | 151 Ų | 151 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | | | trans | -88.4 | 96 | 165.1 | -132.4 | 65.7 | 0 | 0 | 0 | 107.8 | H218 Q222 | H218-H220 PolarHBondContact O-N 3.33Å; H220-Q222 PolarHBondContact O-N 2.95Å |
| 221 | Q | 38.7 | Very low | 40.2 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | | | trans | -70 | 109.2 | 162.2 | -86.1 | -176.4 | 5.7 | 0 | 0 | 107.9 | P219 | P219-Q221 PolarHBondContact O-N 3.49Š|
| 222 | Q | 35.8 | Very low | 39.6 | Very low | 159 Ų | 159 | 155.3 Ų | 155.3 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | -109 | 109.4 | 163.3 | -78.7 | -176.6 | -8.7 | 0 | 0 | 109 | H220 | H220-Q222 PolarHBondContact O-N 2.95Š|
| 223 | H | 34.4 | Very low | 39.4 | Very low | 152 Ų | 152 | 160.8 Ų | 160.8 | 70% | 0.704 | 81% | 0.812 | S | S | * | * | | | trans | -68.9 | 135.4 | 160.3 | -84.4 | -105.2 | 0 | 0 | 0 | 109.5 | | |
| 224 | P | 42.1 | Very low | 39.7 | Very low | 123 Ų | 123 | 157.7 Ų | 157.7 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | trans | -89.4 | 113.7 | 161 | 31.5 | -24 | 0 | 0 | 0 | 108.6 | | |
| 225 | Q | 36.2 | Very low | 39.5 | Very low | 171 Ų | 171 | 157.3 Ų | 157.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | | | trans | -133.8 | 133.2 | 164.4 | -150.2 | 101.3 | 8.4 | 0 | 0 | 110.4 | | |
| 226 | Q | 36.5 | Very low | 39.5 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | trans | -62.2 | 137.4 | -171.7 | -68.6 | 147.7 | -12.2 | 0 | 0 | 113.7 | | |
| 227 | Q | 38.7 | Very low | 39.5 | Very low | 192 Ų | 192 | 157.4 Ų | 157.4 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | | 39.1 | 102.7 | 121.8 | -155.9 | 171.7 | 5.2 | 0 | 0 | 117.9 | | |
| 228 | A | 36.6 | Very low | 39.7 | Very low | 98 Ų | 98 | 158 Ų | 158 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -161.2 | 127.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 229 | Q | 41.7 | Very low | 39.9 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -53.5 | 136.8 | 167.1 | -68.6 | 152.8 | -75.4 | 0 | 0 | 111.5 | | |
| 230 | N | 36 | Very low | 39.8 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | | | | -173.4 | 149.3 | 119.6 | -128.7 | -6.1 | 0 | 0 | 0 | 113.9 | | |
| 231 | Q | 42.2 | Very low | 40.1 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -65 | 155.7 | -179.3 | -61.6 | 170.6 | 6.2 | 0 | 0 | 114.2 | | |
| 232 | G | 32.3 | Very low | 40.3 | Very low | 73 Ų | 73 | 147.2 Ų | 147.2 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | trans | 128.4 | 102.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 233 | H | 40.7 | Very low | 40.6 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | | | trans | -73.4 | 155.7 | 148.9 | -72.1 | 30.9 | 0 | 0 | 0 | 107.4 | | |
| 234 | P | 52.8 | Low | 41.2 | Very low | 100 Ų | 100 | 145 Ų | 145 | 65% | 0.649 | 84% | 0.838 | S | S | * | * | | | | -162.7 | 178.8 | 54.1 | 46 | -23.2 | 0 | 0 | 0 | 120.2 | | |
| 235 | H | 42.3 | Very low | 41.3 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 76% | 0.764 | 84% | 0.838 | S | S | * | * | | | trans | 53.4 | 113.3 | 152.2 | -58.3 | -58.7 | 0 | 0 | 0 | 123.1 | | |
| 236 | H | 43.6 | Very low | 41.7 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | | | trans | -142.2 | 94.1 | 133.9 | -53.5 | -66.9 | 0 | 0 | 0 | 107.9 | | |
| 237 | L | 42.3 | Very low | 41.9 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 84% | 0.839 | S | S | * | * | | | | 69.5 | 97.3 | 96.2 | -165.5 | 63.5 | 0 | 0 | 0 | 113.9 | | |
| 238 | M | 45.1 | Very low | 42.1 | Very low | 190 Ų | 190 | 137 Ų | 137 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | | | trans | -67.2 | 122.4 | 157.6 | -179.2 | -178.7 | -72.5 | 0 | 0 | 109.1 | | |
| 239 | G | 40.3 | Very low | 42 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | | | trans | -164.3 | 119.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 240 | G | 39.8 | Very low | 42.1 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 92% | 0.918 | 84% | 0.838 | S | S | * | * | | | cis | 106.3 | 106.8 | 48 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 241 | G | 43.2 | Very low | 42 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | | | trans | 160.9 | 84.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 242 | N | 44.5 | Very low | 42.1 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 97% | 0.968 | 83% | 0.826 | S | S | * | * | | | trans | -60.9 | 131.8 | 153.5 | -79.6 | -16.2 | 0 | 0 | 0 | 108.8 | | |
| 243 | G | 41.7 | Very low | 42.2 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | -148.3 | 79.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G245 | G243-G245 PolarHBondContact O-N 2.9Š|
| 244 | L | 47.6 | Very low | 42.1 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 99% | 0.99 | 82% | 0.823 | S | S | * | * | | | trans | -65.2 | 115.8 | 160.2 | -73.8 | 158.6 | 0 | 0 | 0 | 107.7 | | |
| 245 | G | 43 | Very low | 41.8 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | trans | -156.6 | 89.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | G243 | G243-G245 PolarHBondContact O-N 2.9Š|
| 246 | N | 45 | Very low | 41.3 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 92% | 0.92 | 83% | 0.826 | S | S | * | * | | | trans | -73.5 | 141.9 | 173.2 | -165.4 | -10.1 | 0 | 0 | 0 | 109.9 | | |
| 247 | G | 40.1 | Very low | 41.3 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | | | trans | 142.7 | 115.1 | 161 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 248 | N | 42.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 92% | 0.92 | 83% | 0.828 | S | S | * | * | | | trans | -54.2 | 155.6 | 173 | -60.2 | -61.1 | 0 | 0 | 0 | 115.6 | | |
| 249 | G | 35.6 | Very low | 41.6 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | | | trans | 150.3 | 86.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 250 | L | 43.1 | Very low | 41.6 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 97% | 0.969 | 83% | 0.834 | S | S | * | * | | | trans | 44.6 | 121.8 | 131.9 | -54.8 | 169.6 | 0 | 0 | 0 | 120.2 | | |
| 251 | G | 35.1 | Very low | 41.8 | Very low | 72 Ų | 72 | 141.1 Ų | 141.1 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | | | trans | 161.6 | 63.7 | 156 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 252 | I | 43.6 | Very low | 42 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 71% | 0.708 | 84% | 0.841 | S | S | * | * | | | trans | 43.1 | 115.3 | 138.1 | -38.7 | -177.9 | 0 | 0 | 0 | 120.3 | | |
| 253 | Q | 33.6 | Very low | 42 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | | | | 172.3 | 108.1 | 116.1 | -99.8 | 127.3 | 38.6 | 0 | 0 | 114.7 | | |
| 254 | H | 39.3 | Very low | 42.2 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 76% | 0.755 | 84% | 0.844 | S | S | * | * | | | trans | 54.4 | 165.3 | 137.3 | -62.7 | -86.8 | 0 | 0 | 0 | 123.8 | | |
| 255 | P | 45.9 | Very low | 41.9 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | | | cis | -134.3 | 145.9 | -48.9 | 36.7 | -20.7 | 0 | 0 | 0 | 112 | | |
| 256 | G | 33.7 | Very low | 42 | Very low | 69 Ų | 69 | 158.7 Ų | 158.7 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | S | Bend | trans | 162.3 | 130.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 257 | Q | 41.7 | Very low | 41.8 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | | | trans | 83.8 | 45.4 | 172.3 | -45.5 | -72.3 | 8.5 | 0 | 0 | 117.3 | | |
| 258 | Q | 46.3 | Very low | 42.2 | Very low | 197 Ų | 197 | 164.8 Ų | 164.8 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | | | trans | -108.4 | 78 | 155.3 | -81.3 | -170.1 | -9.8 | 0 | 0 | 110.2 | | |
| 259 | Q | 47.5 | Very low | 41.9 | Very low | 193 Ų | 193 | 165.4 Ų | 165.4 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -161.3 | 21.9 | 157.4 | -123.5 | 171.5 | 15.8 | 0 | 0 | 117.2 | | |
| 260 | Q | 41.8 | Very low | 42.3 | Very low | 188 Ų | 188 | 170.7 Ų | 170.7 | 88% | 0.879 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -132.9 | 23.7 | 177.6 | -89.9 | -172.8 | -1.3 | 0 | 0 | 115.7 | | |
| 261 | Q | 44.2 | Very low | 42.1 | Very low | 204 Ų | 204 | 167.8 Ų | 167.8 | 95% | 0.953 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -107.2 | 31 | -179 | -125 | 176.3 | 40.4 | 0 | 0 | 115 | | |
| 262 | Q | 45.7 | Very low | 42.3 | Very low | 196 Ų | 196 | 167.5 Ų | 167.5 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -127.7 | 18.9 | 176.4 | -134.8 | 173.4 | 56.3 | 0 | 0 | 115.4 | | |
| 263 | Q | 46 | Very low | 42.1 | Very low | 192 Ų | 192 | 169.2 Ų | 169.2 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -134.9 | 19.9 | -179.7 | -127.2 | 175.4 | 63 | 0 | 0 | 116.4 | | |
| 264 | Q | 44.8 | Very low | 42.2 | Very low | 194 Ų | 194 | 172.4 Ų | 172.4 | 91% | 0.907 | 85% | 0.854 | S | S | * | * | | | trans | -135 | 40.5 | -179.7 | -104.1 | -176.3 | 38.2 | 0 | 0 | 115.2 | | |
| 265 | Q | 42.6 | Very low | 42.7 | Very low | 196 Ų | 196 | 172.1 Ų | 172.1 | 92% | 0.916 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -127.6 | 52.4 | 166.3 | -83 | -169.8 | 20.7 | 0 | 0 | 112.9 | | |
| 266 | Q | 43 | Very low | 42.5 | Very low | 192 Ų | 192 | 170.2 Ų | 170.2 | 90% | 0.897 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -146.2 | 23.6 | 165.7 | -122.5 | -178.5 | 87.3 | 0 | 0 | 115.8 | | |
| 267 | Q | 41.3 | Very low | 42.7 | Very low | 184 Ų | 184 | 173.4 Ų | 173.4 | 86% | 0.86 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -137.2 | 76.1 | 168.4 | -78.6 | -172.2 | 36.6 | 0 | 0 | 111 | | |
| 268 | Q | 48.6 | Very low | 42.9 | Very low | 184 Ų | 184 | 172.3 Ų | 172.3 | 86% | 0.86 | 85% | 0.853 | S | S | * | * | | | trans | -176.2 | 87.5 | 148.5 | -104.3 | 159.7 | 75 | 0 | 0 | 108.9 | | |
| 269 | Q | 36 | Very low | 43 | Very low | 185 Ų | 185 | 170.8 Ų | 170.8 | 86% | 0.864 | 85% | 0.85 | S | S | * | * | | | trans | -173.1 | 140 | 140.8 | -98.2 | 160.8 | 64.9 | 0 | 0 | 109.1 | | |
| 270 | H | 44.1 | Very low | 42.4 | Very low | 178 Ų | 178 | 167.2 Ų | 167.2 | 82% | 0.824 | 84% | 0.837 | S | S | * | * | | | trans | -48.7 | 165.2 | -162.6 | -50.1 | -87.7 | 0 | 0 | 0 | 116.8 | | |
| 271 | P | 39.4 | Very low | 42.1 | Very low | 124 Ų | 124 | 167.5 Ų | 167.5 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | | | | -141.2 | 133.6 | 109.8 | 34.6 | -20.1 | 0 | 0 | 0 | 114.3 | | |
| 272 | G | 39.3 | Very low | 41.8 | Very low | 67 Ų | 67 | 161.8 Ų | 161.8 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | | | trans | -76 | 147.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 273 | Q | 39.7 | Very low | 41.6 | Very low | 174 Ų | 174 | 156.8 Ų | 156.8 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | | | trans | 68.1 | 102.2 | 167.4 | -58 | -167.9 | 0.4 | 0 | 0 | 117.2 | | |
| 274 | Y | 36.3 | Very low | 41.3 | Very low | 236 Ų | 236 | 152.3 Ų | 152.3 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | | -149.5 | 124.3 | 111 | -80.1 | -69.6 | 0 | 0 | 0 | 110 | A276 | Y274-A276 PolarHBondContact O-N 3.48Š|
| 275 | N | 49.9 | Very low | 41.3 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | | | trans | -71.8 | 96.1 | 174.4 | -172.3 | 30.2 | 0 | 0 | 0 | 109.3 | | |
| 276 | A | 39.9 | Very low | 41.4 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | | | trans | -161.9 | 61.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | Y274 | Y274-A276 PolarHBondContact O-N 3.48Š|
| 277 | N | 39.4 | Very low | 41.1 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -154.9 | 13.9 | 164 | -96.4 | -43.4 | 0 | 0 | 0 | 114.9 | | |
| 278 | L | 46.2 | Very low | 41.3 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -4.2 | 170.7 | -101.7 | 70.7 | 0 | 0 | 0 | 113.6 | | |
| 279 | L | 47.7 | Very low | 40.6 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 22.8 | 179.7 | -152.3 | 71.4 | 0 | 0 | 0 | 113.8 | | |
| 280 | N | 34.8 | Very low | 40.6 | Very low | 118 Ų | 118 | 139 Ų | 139 | 63% | 0.631 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -126.8 | 29.5 | 174.4 | -152.4 | -21.2 | 0 | 0 | 0 | 113.1 | | |
| 281 | H | 35.4 | Very low | 40.2 | Very low | 193 Ų | 193 | 141 Ų | 141 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -127 | 8.8 | 166.9 | -101.4 | 58.3 | 0 | 0 | 0 | 112.8 | | |
| 282 | A | 37.7 | Very low | 39.9 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -103.3 | 7.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 283 | A | 42.3 | Very low | 39.9 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -131.1 | 59.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 284 | A | 39.6 | Very low | 39.5 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -147.8 | 41.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G286 | A284-G286 PolarHBondContact O-N 2.95Š|
| 285 | L | 45 | Very low | 39.4 | Very low | 181 Ų | 181 | 136 Ų | 136 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | | | trans | -76.2 | 98.1 | 156.5 | -97.7 | 154.3 | 0 | 0 | 0 | 106.9 | | |
| 286 | G | 44.6 | Very low | 38.6 | Very low | 57 Ų | 57 | 132.4 Ų | 132.4 | 59% | 0.588 | 81% | 0.808 | S | S | * | * | | | trans | 147.1 | 83.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A284 | A284-G286 PolarHBondContact O-N 2.95Š|
| 287 | H | 36.9 | Very low | 38.4 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | trans | -149.4 | 102.1 | 140.1 | -92 | -69.5 | 0 | 0 | 0 | 108.5 | | |
| 288 | M | 44 | Very low | 38.5 | Very low | 191 Ų | 191 | 136 Ų | 136 | 94% | 0.941 | 82% | 0.822 | S | S | * | * | | | trans | -58.3 | 133.1 | 163.2 | -72.5 | 177.5 | -93 | 0 | 0 | 109.1 | | |
| 289 | S | 33.7 | Very low | 37.9 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | | | trans | -139.5 | 103.7 | 154.4 | -147 | 0 | 0 | 0 | 0 | 110 | | |
| 290 | S | 36.6 | Very low | 37.6 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | trans | -55.6 | 130.5 | 165.5 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 291 | Y | 36.3 | Very low | 37.8 | Very low | 221 Ų | 221 | 138.4 Ų | 138.4 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -124.9 | 136.7 | 154.3 | 57.8 | -97 | 0 | 0 | 0 | 109.2 | | |
| 292 | A | 33.4 | Very low | 37.9 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | | | trans | -84.3 | 158.5 | -153.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 293 | Q | 37.4 | Very low | 37.8 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 94% | 0.944 | 82% | 0.82 | S | S | * | * | | | trans | -55.1 | 134.8 | 156.9 | -71.1 | 171 | -80.5 | 0 | 0 | 110.9 | | |
| 294 | S | 32.6 | Very low | 37.5 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | | | trans | -153.5 | 125.9 | 151.2 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 295 | G | 34.4 | Very low | 37.6 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -82.3 | 179 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 296 | G | 31.9 | Very low | 37.4 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | trans | 159.7 | 90.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 297 | S | 37.4 | Very low | 37.3 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | | | trans | -72 | 163.3 | 158.9 | -90.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 298 | M | 39.8 | Very low | 37.7 | Very low | 171 Ų | 171 | 141 Ų | 141 | 84% | 0.842 | 84% | 0.836 | S | S | * | * | | | trans | 111.6 | 99.8 | 154.5 | -56.1 | -154.8 | -57.7 | 0 | 0 | 115.7 | | |
| 299 | Y | 35.3 | Very low | 37.2 | Very low | 236 Ų | 236 | 135.1 Ų | 135.1 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | 177.5 | 78.8 | 144.7 | -90.8 | -69.3 | 0 | 0 | 0 | 104.9 | | |
| 300 | D | 40.5 | Very low | 37.5 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 64% | 0.636 | 83% | 0.831 | S | S | * | * | | | | 41.6 | 99.9 | 81.9 | -154 | 17.6 | 0 | 0 | 0 | 114.9 | | |
| 301 | H | 37.9 | Very low | 37.8 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 66% | 0.657 | 84% | 0.839 | S | S | * | * | | | | 167.4 | 147.6 | 107.2 | -85.7 | -53.5 | 0 | 0 | 0 | 113.6 | | |
| 302 | H | 38.8 | Very low | 37.8 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 83% | 0.833 | 83% | 0.832 | S | S | * | * | | | trans | 97 | 68.3 | 161.4 | -50.1 | -56.2 | 0 | 0 | 0 | 118.8 | | |
| 303 | G | 35.5 | Very low | 37.8 | Very low | 84 Ų | 84 | 134 Ų | 134 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | | | trans | -95 | 130.6 | 133.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 304 | G | 34.9 | Very low | 37.9 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | | | trans | -179.6 | 96.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 305 | A | 43.3 | Very low | 38.5 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | -72.4 | 140.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 306 | M | 40.6 | Very low | 38.8 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 96% | 0.956 | 83% | 0.834 | S | S | * | * | | | trans | -154 | 107.8 | 145.8 | -74.1 | -144.4 | -97.7 | 0 | 0 | 110.6 | | |
| 307 | H | 42.8 | Very low | 39 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | | | trans | -80.1 | 149.4 | 159.7 | -112.5 | -163.9 | 0 | 0 | 0 | 107.8 | | |
| 308 | P | 43.8 | Very low | 39.4 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 84% | 0.837 | S | S | * | * | | | | -158.1 | 149.2 | 77.4 | 32.6 | -9.4 | 0 | 0 | 0 | 118.1 | | |
| 309 | G | 33.2 | Very low | 40.1 | Very low | 68 Ų | 68 | 144.9 Ų | 144.9 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | | | trans | 97.8 | 113.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 310 | M | 40.9 | Very low | 40.2 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 95% | 0.946 | 83% | 0.83 | S | S | * | * | | | | 172 | 96.3 | 122.3 | -90.8 | 166.9 | 124.9 | 0 | 0 | 109 | | |
| 311 | N | 44 | Very low | 39.9 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 96% | 0.957 | 84% | 0.837 | S | S | * | * | | | trans | -65.3 | 125.7 | 151.3 | -126.2 | -48.9 | 0 | 0 | 0 | 106.6 | | |
| 312 | G | 34.8 | Very low | 40.4 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | | | trans | -172.4 | 87.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 313 | G | 34.5 | Very low | 40.7 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 144.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 314 | M | 38.1 | Very low | 40.6 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 92% | 0.921 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 133.9 | 168.2 | -63.7 | 179 | -155.5 | 0 | 0 | 109.8 | K316 | M314-K316 PolarHBondContact O-N 2.88Š|
| 315 | P | 46.1 | Very low | 40.8 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 126.1 | 175.2 | 28.1 | -30.6 | 0 | 0 | 0 | 111 | Q317 | P315-Q317 PolarHBondContact O-N 3.4Š|
| 316 | K | 40.5 | Very low | 40.3 | Very low | 212 Ų | 212 | 136.4 Ų | 136.4 | 92% | 0.922 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.1 | 165.1 | -92.3 | 177.4 | 173.1 | 171.6 | 0 | 109.6 | M314 | M314-K316 PolarHBondContact O-N 2.88Š|
| 317 | Q | 37 | Very low | 39.9 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -95 | 120.6 | 163.5 | -73.9 | -179.1 | -1.7 | 0 | 0 | 110.3 | P315 | P315-Q317 PolarHBondContact O-N 3.4Š|
| 318 | Q | 45.9 | Very low | 40.2 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | | | trans | -150.5 | 154.4 | 148.7 | -69.5 | -167.5 | -22.5 | 0 | 0 | 105.5 | | |
| 319 | P | 53.1 | Low | 40.2 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | | | cis | -153 | -162.9 | 36.8 | 33.1 | -5.5 | 0 | 0 | 0 | 116.1 | | |
| 320 | L | 39.1 | Very low | 40.5 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | | | trans | 112.1 | 119.8 | 163.7 | -78.4 | 87.2 | 0 | 0 | 0 | 114.3 | | |
| 321 | G | 33.7 | Very low | 40.5 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | cis | -179.9 | -155.7 | 6.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 322 | P | 48.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | | | cis | -120.2 | -178.7 | -27.4 | 42.6 | -26.1 | 0 | 0 | 0 | 112 | | |
| 323 | P | 43.6 | Very low | 40.2 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -98.6 | 152.1 | -155.2 | 37.7 | -31.5 | 0 | 0 | 0 | 114.3 | | |
| 324 | G | 33.5 | Very low | 40.2 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 177.6 | 123.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 325 | A | 39.3 | Very low | 39.9 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | | | trans | 84.7 | 96.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 326 | G | 33.9 | Very low | 39.3 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | -63.7 | 162.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 327 | G | 32.6 | Very low | 38.9 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -74.9 | -134.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 328 | P | 48 | Very low | 38.7 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | cis | -108.6 | 161 | -45.3 | 36.6 | -25.4 | 0 | 0 | 0 | 109.8 | | |
| 329 | Q | 43.2 | Very low | 38.1 | Very low | 160 Ų | 160 | 129 Ų | 129 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | -162.4 | 117.6 | 149.9 | -75.9 | -42.9 | -34.3 | 0 | 0 | 111.2 | Y331 | Q329-Y331 HydrophobicContact CB-CD2 4.46Å; Q329-Y331 HydrophobicContact CB-CE2 4.36Å |
| 330 | D | 40.7 | Very low | 37.5 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | trans | -62.2 | 132.6 | 158.7 | -69.7 | -58.6 | 0 | 0 | 0 | 110.5 | | |
| 331 | Y | 40.6 | Very low | 37.5 | Very low | 211 Ų | 211 | 127.6 Ų | 127.6 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | trans | -139.8 | 96.5 | 150.7 | -83 | -77.2 | 0 | 0 | 0 | 109.5 | Q329 Y333 | Q329-Y331 HydrophobicContact CB-CD2 4.46Å; Q329-Y331 HydrophobicContact CB-CE2 4.36Å; Y331-Y333 PolarHBondContact O-N 3.44Å |
| 332 | V | 40.6 | Very low | 37.6 | Very low | 132 Ų | 132 | 133 Ų | 133 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | | | trans | -69.4 | 111.2 | 157.5 | 175.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 333 | Y | 32 | Very low | 36.7 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | | | trans | -114.2 | 109.1 | 161.2 | -173.8 | -100.9 | 0 | 0 | 0 | 108.5 | Y331 | Y331-Y333 PolarHBondContact O-N 3.44Š|
| 334 | M | 35.1 | Very low | 36.3 | Very low | 172 Ų | 172 | 129.1 Ų | 129.1 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | | | trans | -67.2 | 133.6 | 168 | -88.8 | 165.2 | 144.9 | 0 | 0 | 110.3 | | |
| 335 | G | 32 | Very low | 36.2 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | 118.4 | 119.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 336 | G | 32.6 | Very low | 36.1 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | 141.1 | 112.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 337 | Q | 32.1 | Very low | 36.3 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | -23.8 | 133.6 | 169.9 | -77 | 156.3 | -56.5 | 0 | 0 | 118.4 | T339 | Q337-T339 PolarHBondContact O-N 3.08Å; Q337-T339 VanDerWaalsContact O-N 3.11Å |
| 338 | T | 32 | Very low | 36.8 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 93% | 0.933 | 82% | 0.815 | S | S | * | * | | | trans | -61.4 | 104.2 | 162.8 | -9.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 339 | T | 33.8 | Very low | 37.1 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | | | trans | -99.9 | 125.1 | 165.2 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | Q337 | Q337-T339 PolarHBondContact O-N 3.08Å; Q337-T339 VanDerWaalsContact O-N 3.11Å |
| 340 | V | 40 | Very low | 37.1 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | | | trans | -64.7 | 145.2 | 178.2 | -143.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 341 | P | 40.4 | Very low | 37 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | | | trans | -115.1 | 132 | 149.4 | 33 | -22.5 | 0 | 0 | 0 | 111.5 | | |
| 342 | M | 34.6 | Very low | 37.1 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 93% | 0.931 | 83% | 0.825 | S | S | * | * | | | trans | -75.9 | 132.2 | 179.6 | -156.3 | 155.6 | -169.2 | 0 | 0 | 110.1 | | |
| 343 | G | 30.7 | Very low | 37.1 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | | | trans | -138.2 | 90.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 344 | A | 34.3 | Very low | 37.7 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 79% | 0.793 | 83% | 0.831 | S | S | * | * | | | trans | -77.3 | 135.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 345 | A | 32.8 | Very low | 37.7 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | | | trans | -156.9 | 93 | 152.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 346 | M | 36.1 | Very low | 37.9 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | | | trans | 40.2 | 109.3 | 139.4 | -62.7 | 177.4 | 171.4 | 0 | 0 | 120 | | |
| 347 | M | 37.3 | Very low | 38.3 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | | | trans | -142.5 | 135.9 | 143.9 | -82.2 | -166.1 | 152.3 | 0 | 0 | 110.5 | | |
| 348 | P | 43.1 | Very low | 38.7 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | | | trans | -79.9 | 156.6 | -175.4 | 32.6 | -33.9 | 0 | 0 | 0 | 112.7 | | |
| 349 | P | 54.2 | Low | 39.1 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -89.9 | 117.7 | 178 | 33.8 | -27 | 0 | 0 | 0 | 109.9 | | |
| 350 | Q | 43.2 | Very low | 39.3 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -140.3 | 107.4 | 171.9 | -102.5 | 159 | -8.6 | 0 | 0 | 111.9 | | |
| 351 | N | 39.4 | Very low | 39.2 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | | | trans | 66.8 | 77.3 | 145.7 | -59.1 | -24.3 | 0 | 0 | 0 | 119.3 | | |
| 352 | Q | 42.1 | Very low | 39.1 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -95.8 | 31.6 | 158.3 | -73 | -163.4 | -2 | 0 | 0 | 113.5 | | |
| 353 | Y | 42.2 | Very low | 39.4 | Very low | 215 Ų | 215 | 130.8 Ų | 130.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -133.1 | 51.8 | -177.4 | -117 | -85.7 | 0 | 0 | 0 | 112.3 | | |
| 354 | M | 42.9 | Very low | 39.8 | Very low | 180 Ų | 180 | 138 Ų | 138 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -161.8 | 20.4 | 170.6 | -111.1 | 153.3 | -144.3 | 0 | 0 | 116.1 | | |
| 355 | N | 35.6 | Very low | 40 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -135.8 | 50.1 | 174.8 | -154.1 | -17.6 | 0 | 0 | 0 | 113.1 | | |
| 356 | S | 36.1 | Very low | 40.3 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -117.9 | -1.4 | 167.4 | -53.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 357 | S | 42.3 | Very low | 40.3 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -95.5 | -13 | 179.3 | 44.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 358 | A | 40.6 | Very low | 40.5 | Very low | 72 Ų | 72 | 139 Ų | 139 | 60% | 0.595 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -86.8 | -18.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 359 | V | 40.3 | Very low | 40.4 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 79% | 0.788 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -95.1 | 0.2 | -177.9 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 360 | A | 37.5 | Very low | 39.6 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 68% | 0.678 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -97.5 | -4.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 361 | A | 37.6 | Very low | 39.4 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 70% | 0.702 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -99.5 | -8.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 362 | A | 38.8 | Very low | 39.4 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -93.3 | 2.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 363 | N | 40.3 | Very low | 39.2 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -126.4 | 54.8 | -174.6 | -151.3 | -0.8 | 0 | 0 | 0 | 112.6 | | |
| 364 | R | 39.5 | Very low | 39 | Very low | 234 Ų | 234 | 130 Ų | 130 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -135.4 | 20.7 | 175 | -138.7 | -165.2 | -80.2 | 172.9 | -5 | 114.3 | | |
| 365 | N | 37.8 | Very low | 38.7 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -131.3 | 42.8 | -176.6 | -137.1 | 9.1 | 0 | 0 | 0 | 113.8 | | |
| 366 | A | 39.8 | Very low | 38.9 | Very low | 101 Ų | 101 | 126 Ų | 126 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | -152.7 | 70.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 367 | A | 36.6 | Very low | 39.2 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 100% | 1.455 | 83% | 0.832 | S | S | * | * | | | trans | -139.5 | 0 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |