| 1 | M | 56.5 | Low | 65.2 | Low | 240 Ų | 240 | 142.5 Ų | 142.5 | 100% | 1.182 | 82% | 0.815 | S | S | * | * | | | | 0 | 118.8 | 0 | -71.9 | -178.3 | 170.2 | 0 | 0 | 107 | | |
| 2 | Y | 56.4 | Low | 64.9 | Low | 229 Ų | 229 | 146.8 Ų | 146.8 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | -113 | 107.7 | 178.8 | -142.4 | -90.1 | 0 | 0 | 0 | 107.4 | | |
| 3 | S | 67.3 | Low | 64.8 | Low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -103.7 | 106.7 | 175.3 | -68.7 | 0 | 0 | 0 | 0 | 108 | | |
| 4 | T | 70.9 | Confident | 64.5 | Low | 119 Ų | 119 | 150.8 Ų | 150.8 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.1 | 171.9 | -49.2 | 0 | 0 | 0 | 0 | 108.5 | A6 | T4-A6 PolarHBondContact O-N 3.47Š|
| 5 | P | 71.6 | Confident | 64.2 | Low | 114 Ų | 114 | 147.5 Ų | 147.5 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 135 | 173.9 | -16.3 | 29.1 | 0 | 0 | 0 | 109.8 | | |
| 6 | A | 70.3 | Confident | 63.7 | Low | 92 Ų | 92 | 149.1 Ų | 149.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 140 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T4 | T4-A6 PolarHBondContact O-N 3.47Š|
| 7 | P | 69.9 | Low | 63.2 | Low | 114 Ų | 114 | 147.3 Ų | 147.3 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 151.4 | 176.6 | 27.6 | -33.2 | 0 | 0 | 0 | 110.2 | E9 | P7-E9 PolarHBondContact O-N 3.45Š|
| 8 | P | 66.7 | Low | 62.6 | Low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 133.2 | 178.4 | 25.2 | -32.5 | 0 | 0 | 0 | 110.1 | V10 | P8-V10 PolarHBondContact O-N 2.97Š|
| 9 | E | 65.7 | Low | 62.1 | Low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -57.9 | 106.4 | 173.6 | -170.2 | 95.7 | 103.6 | 0 | 0 | 108.5 | P7 T11 | P7-E9 PolarHBondContact O-N 3.45Å; E9-T11 VanDerWaalsContact C-N 3.28Å; E9-T11 PolarHBondContact O-N 3.36Å |
| 10 | V | 61.3 | Low | 62 | Low | 127 Ų | 127 | 147.8 Ų | 147.8 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | -74.7 | 89.9 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 106.7 | P8 R12 | P8-V10 PolarHBondContact O-N 2.97Å; V10-R12 PolarHBondContact O-N 2.78Å |
| 11 | T | 60.6 | Low | 61.5 | Low | 125 Ų | 125 | 150.2 Ų | 150.2 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | | | trans | -63.4 | 93 | 168.5 | -55.2 | 0 | 0 | 0 | 0 | 107.6 | E9 R13 | E9-T11 VanDerWaalsContact C-N 3.28Å; E9-T11 PolarHBondContact O-N 3.36Å; T11-R13 VanDerWaalsContact C-N 3.32Å; T11-R13 PolarHBondContact O-N 3.34Å |
| 12 | R | 61.9 | Low | 61 | Low | 194 Ų | 194 | 142.1 Ų | 142.1 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | -61.2 | 97.1 | 175.2 | -166.5 | -175.7 | 97.3 | -166.2 | 6.5 | 107.2 | V10 N14 | V10-R12 PolarHBondContact O-N 2.78Å; R12-N14 PolarHBondContact NH2-OD1 3.08Å; R12-N14 VanDerWaalsContact NH2-OD1 3.08Å; R12-N14 PolarHBondContact O-N 2.82Å |
| 13 | R | 63.9 | Low | 60.5 | Low | 223 Ų | 223 | 137.5 Ų | 137.5 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | trans | -59.1 | 109.7 | 170 | -138.1 | 178.3 | -163.9 | 159.3 | 3.8 | 105.3 | T11 S15 | T11-R13 VanDerWaalsContact C-N 3.32Å; T11-R13 PolarHBondContact O-N 3.34Å; R13-S15 PolarHBondContact O-N 2.95Å |
| 14 | N | 60.2 | Low | 59.8 | Low | 126 Ų | 126 | 141 Ų | 141 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | | | trans | -64.9 | 83.3 | 164.4 | -90.2 | -37.5 | 0 | 0 | 0 | 105.5 | R12 E16 | R12-N14 PolarHBondContact NH2-OD1 3.08Å; R12-N14 VanDerWaalsContact NH2-OD1 3.08Å; R12-N14 PolarHBondContact O-N 2.82Å; N14-E16 PolarHBondContact O-N 2.92Å |
| 15 | S | 60 | Low | 58.9 | Low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | -60 | 110.8 | 163.1 | -59.1 | 0 | 0 | 0 | 0 | 104.7 | R13 | R13-S15 PolarHBondContact O-N 2.95Š|
| 16 | E | 56.3 | Low | 57.9 | Low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -41 | 142.2 | 172.5 | -69.4 | 173.6 | 88.8 | 0 | 0 | 109.5 | N14 S18 | N14-E16 PolarHBondContact O-N 2.92Å; E16-S18 PolarHBondContact O-N 2.71Å |
| 17 | P | 54.3 | Low | 57.4 | Low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -59.5 | 110.5 | -179.9 | 25.5 | -30.8 | 0 | 0 | 0 | 107.2 | T19 | P17-T19 PolarHBondContact O-N 2.82Å; P17-T19 PolarHBondContact O-OG1 3.46Å |
| 18 | S | 52.3 | Low | 56.6 | Low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -59.4 | 105 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 107.7 | E16 R20 | E16-S18 PolarHBondContact O-N 2.71Å; S18-R20 PolarHBondContact O-N 2.8Å |
| 19 | T | 53.1 | Low | 56.3 | Low | 140 Ų | 140 | 143.1 Ų | 143.1 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -71.6 | 51.5 | 179.2 | -39.5 | 0 | 0 | 0 | 0 | 111.7 | P17 | P17-T19 PolarHBondContact O-N 2.82Å; P17-T19 PolarHBondContact O-OG1 3.46Å |
| 20 | R | 60.5 | Low | 56.1 | Low | 212 Ų | 212 | 139.8 Ų | 139.8 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -156.7 | 93.5 | 174.9 | -73.3 | -170.2 | 156.9 | -171.9 | -7.6 | 104.6 | S18 | S18-R20 PolarHBondContact O-N 2.8Š|
| 21 | Q | 51 | Low | 56.1 | Low | 198 Ų | 198 | 139.9 Ų | 139.9 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | S | Bend | | -175.9 | 142.8 | 74.4 | -75.8 | 153.2 | 9.2 | 0 | 0 | 106.3 | | |
| 22 | G | 45.8 | Very low | 56.2 | Low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | cis | -142.3 | 162.2 | 25.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L24 | G22-L24 PolarHBondContact O-N 3.12Š|
| 23 | T | 46.2 | Very low | 56.3 | Low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -26.8 | 106.3 | 178.6 | -47.8 | 0 | 0 | 0 | 0 | 114.8 | G25 | T23-G25 PolarHBondContact O-N 3.13Š|
| 24 | L | 54 | Low | 55.9 | Low | 186 Ų | 186 | 136.9 Ų | 136.9 | 97% | 0.974 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -71.2 | 82.2 | 157.9 | -156.5 | 148.1 | 0 | 0 | 0 | 106.9 | G22 | G22-L24 PolarHBondContact O-N 3.12Š|
| 25 | G | 51.3 | Low | 56 | Low | 50 Ų | 50 | 135.7 Ų | 135.7 | 52% | 0.515 | 78% | 0.784 | S | S | . | * | | | trans | 161.9 | 68.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | T23 | T23-G25 PolarHBondContact O-N 3.13Š|
| 26 | S | 49.5 | Very low | 56 | Low | 125 Ų | 125 | 135.6 Ų | 135.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -156.7 | 104.8 | 139.6 | -90.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 27 | L | 60.1 | Low | 56 | Low | 165 Ų | 165 | 137.3 Ų | 137.3 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -57.5 | 148.8 | 169.7 | -64.6 | 152.1 | 0 | 0 | 0 | 109.8 | | |
| 28 | Q | 54.3 | Low | 56 | Low | 203 Ų | 203 | 141.7 Ų | 141.7 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | | | trans | 83.1 | 75.6 | 174.8 | -73.7 | 154.8 | 50.4 | 0 | 0 | 117.5 | | |
| 29 | G | 60.4 | Low | 56.1 | Low | 57 Ų | 57 | 142.1 Ų | 142.1 | 59% | 0.588 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -144.1 | 150.1 | 147 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 30 | P | 60.9 | Low | 56.7 | Low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | | | trans | -55.3 | 145 | 176.4 | 24 | -32.7 | 0 | 0 | 0 | 109.4 | K32 | P30-K32 PolarHBondContact O-N 2.76Š|
| 31 | P | 61.6 | Low | 56.1 | Low | 129 Ų | 129 | 140.9 Ų | 140.9 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -55.9 | 106.7 | 179.6 | 23 | -31.8 | 0 | 0 | 0 | 107.7 | | |
| 32 | K | 63.5 | Low | 56.4 | Low | 182 Ų | 182 | 135 Ų | 135 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | -65.5 | 131.3 | 175.6 | -73.9 | -165.9 | 169.1 | 78.2 | 0 | 106.3 | P30 M34 | P30-K32 PolarHBondContact O-N 2.76Å; K32-M34 PolarHBondContact O-N 3.06Å; K32-M34 VanDerWaalsContact O-N 3.13Å |
| 33 | P | 62.9 | Low | 56.7 | Low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | trans | -56.1 | 126.5 | 175.1 | 22.9 | -31.1 | 0 | 0 | 0 | 107.6 | V35 | P33-V35 PolarHBondContact O-N 2.81Š|
| 34 | M | 56.2 | Low | 56.7 | Low | 186 Ų | 186 | 138.5 Ų | 138.5 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | | | trans | -63.7 | 91.8 | 175.9 | -172.6 | 148.7 | 90.1 | 0 | 0 | 107.5 | K32 | K32-M34 PolarHBondContact O-N 3.06Å; K32-M34 VanDerWaalsContact O-N 3.13Å |
| 35 | V | 61.4 | Low | 56.6 | Low | 101 Ų | 101 | 134.9 Ų | 134.9 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | | | trans | -69.1 | 133.3 | 169.2 | -69.4 | 0 | 0 | 0 | 0 | 106.9 | P33 F37 | P33-V35 PolarHBondContact O-N 2.81Å; V35-F37 PolarHBondContact O-N 2.89Å; V35-F37 VanDerWaalsContact O-N 3.12Å |
| 36 | P | 61.3 | Low | 56.6 | Low | 101 Ų | 101 | 140.3 Ų | 140.3 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | | | trans | -57.2 | 126.1 | 170 | 24.5 | -31.2 | 0 | 0 | 0 | 106.7 | R38 | P36-R38 PolarHBondContact O-N 2.83Š|
| 37 | F | 55.2 | Low | 56.2 | Low | 208 Ų | 208 | 145.2 Ų | 145.2 | 91% | 0.912 | 76% | 0.757 | S | S | * | * | | | trans | -57 | 92.7 | 172.2 | -86.4 | -92.8 | 0 | 0 | 0 | 107.6 | V35 C39 | V35-F37 PolarHBondContact O-N 2.89Å; V35-F37 VanDerWaalsContact O-N 3.12Å; F37-C39 PolarHBondContact O-N 3.32Å |
| 38 | R | 55.4 | Low | 55.6 | Low | 211 Ų | 211 | 142.2 Ų | 142.2 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | -68.3 | 120.1 | 169 | -81 | -89.3 | 153.8 | 179.9 | -8.3 | 105.1 | P36 I40 | P36-R38 PolarHBondContact O-N 2.83Å; R38-I40 VanDerWaalsContact C-N 3.3Å; R38-I40 PolarHBondContact O-N 3.21Å |
| 39 | C | 52.6 | Low | 55.8 | Low | 108 Ų | 108 | 139.7 Ų | 139.7 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | | | trans | -58.9 | 97.5 | 171.3 | -57.9 | 0 | 0 | 0 | 0 | 107.9 | F37 E41 | F37-C39 PolarHBondContact O-N 3.32Å; C39-E41 PolarHBondContact O-N 3.02Å |
| 40 | I | 67.4 | Low | 54.9 | Low | 157 Ų | 157 | 148.1 Ų | 148.1 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -79.5 | 114.9 | 164.1 | -61.5 | 172.8 | 0 | 0 | 0 | 103.4 | R38 | R38-I40 VanDerWaalsContact C-N 3.3Å; R38-I40 PolarHBondContact O-N 3.21Å |
| 41 | E | 47.3 | Very low | 54.6 | Low | 169 Ų | 169 | 150.1 Ų | 150.1 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | 84.4 | 85 | -174.4 | -47.9 | -139.5 | 97 | 0 | 0 | 115.2 | C39 P43 | C39-E41 PolarHBondContact O-N 3.02Å; E41-P43 WeakPolarHBondContact O-CD 3.08Å |
| 42 | C | 56.3 | Low | 54.3 | Low | 76 Ų | 76 | 151.2 Ų | 151.2 | 51% | 0.514 | 76% | 0.764 | S | S | . | * | | | trans | -92.4 | 85.5 | 148.3 | -74.7 | 0 | 0 | 0 | 0 | 109.3 | F44 | C42-F44 VanDerWaalsContact C-N 3.25Š|
| 43 | P | 52.1 | Low | 53.8 | Low | 98 Ų | 98 | 149.5 Ų | 149.5 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -81.1 | -11.7 | 159.2 | 32 | -29.6 | 0 | 0 | 0 | 111.2 | E41 | E41-P43 WeakPolarHBondContact O-CD 3.08Š|
| 44 | F | 46.4 | Very low | 53.2 | Low | 176 Ų | 176 | 151.8 Ų | 151.8 | 77% | 0.772 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -99.6 | -19.7 | -167.6 | -114.1 | -92.5 | 0 | 0 | 0 | 116.6 | C42 | C42-F44 VanDerWaalsContact C-N 3.25Š|
| 45 | I | 52.2 | Low | 53 | Low | 111 Ų | 111 | 149.6 Ų | 149.6 | 57% | 0.569 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -85.3 | -23.1 | -176.6 | -58.8 | -171 | 0 | 0 | 0 | 112.6 | W47 | I45-W47 VanDerWaalsContact C-N 3.33Å; I45-W47 PolarHBondContact O-N 2.76Å |
| 46 | L | 50.9 | Low | 52.5 | Low | 163 Ų | 163 | 152.9 Ų | 152.9 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -74.7 | -20.7 | -179.6 | -162.8 | 65.1 | 0 | 0 | 0 | 113.3 | | |
| 47 | W | 41.1 | Very low | 51.8 | Low | 229 Ų | 229 | 156.6 Ų | 156.6 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -82.6 | -17.2 | 178.7 | -157.6 | -70.9 | 0 | 0 | 0 | 113.2 | I45 | I45-W47 VanDerWaalsContact C-N 3.33Å; I45-W47 PolarHBondContact O-N 2.76Å |
| 48 | S | 48.6 | Very low | 51.6 | Low | 102 Ų | 102 | 152.6 Ų | 152.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -90.8 | 4.7 | -172.4 | -63.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 49 | I | 57.3 | Low | 51.3 | Low | 149 Ų | 149 | 147.8 Ų | 147.8 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -124.2 | 35.2 | 179.1 | -30 | 176.9 | 0 | 0 | 0 | 112.1 | | |
| 50 | Q | 43.2 | Very low | 51.2 | Low | 235 Ų | 235 | 151.4 Ų | 151.4 | 100% | 1.098 | 76% | 0.762 | S | S | * | * | | | trans | -101.6 | 0 | 170.4 | -174.7 | 64.4 | 96.4 | 0 | 0 | 111.8 | | |