| 1 | M | 57.8 | Low | 60.3 | Low | 236 Ų | 236 | 141.1 Ų | 141.1 | 100% | 1.163 | 78% | 0.783 | S | S | * | * | | | | 0 | 131.6 | 0 | -162.3 | 163.2 | -163.5 | 0 | 0 | 106.8 | | |
| 2 | N | 56.2 | Low | 60.2 | Low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | 121.9 | 82 | 175.3 | -62.5 | 15.7 | 0 | 0 | 0 | 114.1 | | |
| 3 | Q | 60.8 | Low | 60.2 | Low | 180 Ų | 180 | 132.2 Ų | 132.2 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | | | trans | -134 | 102.8 | 144.8 | -73.3 | -72.2 | -73.1 | 0 | 0 | 105.9 | T5 | Q3-T5 PolarHBondContact O-N 3.34Š|
| 4 | N | 62.3 | Low | 60.1 | Low | 130 Ų | 130 | 133.4 Ų | 133.4 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | trans | -71 | 105.1 | 163.7 | 174.7 | 66.9 | 0 | 0 | 0 | 106.6 | D6 | N4-D6 VanDerWaalsContact ND2-CG 3.35Å; N4-D6 PolarHBondContact ND2-OD2 3.36Å; N4-D6 PolarHBondContact ND2-OD1 2.87Å |
| 5 | T | 59.5 | Low | 60.5 | Low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -95.3 | 101.4 | 164.2 | 35.8 | 0 | 0 | 0 | 0 | 108.1 | Q3 K7 | Q3-T5 PolarHBondContact O-N 3.34Å; T5-K7 PolarHBondContact O-N 3.32Å |
| 6 | D | 59 | Low | 60.9 | Low | 119 Ų | 119 | 130.5 Ų | 130.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -45.9 | 121.9 | 171.2 | -62 | -65.6 | 0 | 0 | 0 | 111.8 | N4 | N4-D6 VanDerWaalsContact ND2-CG 3.35Å; N4-D6 PolarHBondContact ND2-OD2 3.36Å; N4-D6 PolarHBondContact ND2-OD1 2.87Å |
| 7 | K | 60.8 | Low | 61.6 | Low | 188 Ų | 188 | 133.2 Ų | 133.2 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | trans | 40.5 | 87 | 149.2 | -51.9 | -160.4 | -175.7 | -171.6 | 0 | 116.2 | T5 S9 | T5-K7 PolarHBondContact O-N 3.32Å; K7-S9 PolarHBondContact O-N 3.44Å |
| 8 | I | 60.7 | Low | 62.3 | Low | 172 Ų | 172 | 134.2 Ų | 134.2 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | | | trans | -94.9 | 71.2 | 140.7 | -51.1 | 179.2 | 0 | 0 | 0 | 107 | G10 | I8-G10 PolarHBondContact O-N 2.93Š|
| 9 | S | 63 | Low | 62.6 | Low | 88 Ų | 88 | 136.5 Ų | 136.5 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | | | trans | -64.9 | 81.2 | 158.2 | 161.7 | 0 | 0 | 0 | 0 | 107.4 | K7 S11 | K7-S9 PolarHBondContact O-N 3.44Å; S9-S11 PolarHBondContact O-N 2.99Å |
| 10 | G | 56.5 | Low | 62.9 | Low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | -77 | 64.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I8 G12 | I8-G10 PolarHBondContact O-N 2.93Å; G10-G12 PolarHBondContact O-N 3.41Å |
| 11 | S | 67.1 | Low | 63.3 | Low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | trans | -78.3 | 106.4 | 173.5 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | S9 | S9-S11 PolarHBondContact O-N 2.99Š|
| 12 | G | 58.9 | Low | 63.7 | Low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | 68.1 | 150.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G10 | G10-G12 PolarHBondContact O-N 3.41Š|
| 13 | S | 60.2 | Low | 64.1 | Low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | | | cis | -160.5 | 127.6 | 9.4 | -66.8 | 0 | 0 | 0 | 0 | 104.6 | | |
| 14 | N | 58.5 | Low | 64.3 | Low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | | | trans | -128 | 76.1 | 146.6 | -83.9 | -7.9 | 0 | 0 | 0 | 104.9 | D16 | N14-D16 PolarHBondContact O-N 2.88Š|
| 15 | S | 66.9 | Low | 64.2 | Low | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | trans | -65.6 | 74.3 | 157.3 | 54.2 | 0 | 0 | 0 | 0 | 107.5 | M17 | S15-M17 PolarHBondContact O-N 3.34Š|
| 16 | D | 66 | Low | 64.3 | Low | 129 Ų | 129 | 129.1 Ų | 129.1 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | | | trans | -76.3 | 52.8 | 157 | -68.4 | -37.4 | 0 | 0 | 0 | 107.4 | N14 M18 | N14-D16 PolarHBondContact O-N 2.88Å; D16-M18 PolarHBondContact O-N 2.95Å |
| 17 | M | 73.4 | Confident | 64.5 | Low | 176 Ų | 176 | 128.4 Ų | 128.4 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | | | trans | -71.8 | 87.4 | 157.6 | -75 | -173.2 | -162.5 | 0 | 0 | 104.9 | S15 E19 | S15-M17 PolarHBondContact O-N 3.34Å; M17-E19 PolarHBondContact O-N 2.78Å; M17-E19 VanDerWaalsContact C-N 3.3Å |
| 18 | M | 73.8 | Confident | 64.8 | Low | 152 Ų | 152 | 125.5 Ų | 125.5 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | trans | -66.7 | 95.5 | 169.9 | -68.1 | -80.6 | -84 | 0 | 0 | 106.9 | D16 N20 | D16-M18 PolarHBondContact O-N 2.95Å; M18-N20 PolarHBondContact O-N 3.08Å |
| 19 | E | 68.4 | Low | 65.2 | Low | 178 Ų | 178 | 121.9 Ų | 121.9 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | trans | -70.1 | 83.4 | 164.8 | -173.6 | -170.3 | 168.8 | 0 | 0 | 107.5 | M17 S21 | M17-E19 PolarHBondContact O-N 2.78Å; M17-E19 VanDerWaalsContact C-N 3.3Å; E19-S21 VanDerWaalsContact C-N 3.25Å; E19-S21 PolarHBondContact O-N 3.02Å; E19-S21 VanDerWaalsContact O-N 3.07Å |
| 20 | N | 68.3 | Low | 65.1 | Low | 135 Ų | 135 | 126.1 Ų | 126.1 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | -85.5 | 77 | 174.4 | -148.2 | 76.6 | 0 | 0 | 0 | 108.7 | M18 K22 | M18-N20 PolarHBondContact O-N 3.08Å; N20-K22 PolarHBondContact O-N 3.37Å |
| 21 | S | 71.3 | Confident | 65.8 | Low | 89 Ų | 89 | 131.8 Ų | 131.8 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | | | trans | -70.2 | 109 | 156.7 | 179.7 | 0 | 0 | 0 | 0 | 106.8 | E19 | E19-S21 VanDerWaalsContact C-N 3.25Å; E19-S21 PolarHBondContact O-N 3.02Å; E19-S21 VanDerWaalsContact O-N 3.07Å |
| 22 | K | 66.4 | Low | 66 | Low | 152 Ų | 152 | 132.1 Ų | 132.1 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | trans | 170.5 | 120.5 | 136.5 | -92.8 | 173.7 | -166.1 | -169.5 | 0 | 113.3 | N20 | N20-K22 PolarHBondContact O-N 3.37Š|
| 23 | E | 64.2 | Low | 66.5 | Low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | 49.5 | 124.3 | 152 | 58.7 | -110.4 | -178.2 | 0 | 0 | 122.3 | G25 | E23-G25 PolarHBondContact O-N 2.85Š|
| 24 | E | 65.5 | Low | 66.9 | Low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | trans | -23.3 | 107.4 | 149.9 | -70.9 | -95.9 | 149.2 | 0 | 0 | 113.3 | | |
| 25 | G | 59.2 | Low | 67.5 | Low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | | | trans | -141.2 | 95.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | E23 S27 | E23-G25 PolarHBondContact O-N 2.85Å; G25-S27 PolarHBondContact O-N 2.94Å |
| 26 | T | 62.4 | Low | 67.6 | Low | 143 Ų | 143 | 136.2 Ų | 136.2 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -61.9 | 94.7 | 172.1 | 46.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 27 | S | 62.4 | Low | 67.7 | Low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -150.7 | 94.6 | 157.5 | 67 | 0 | 0 | 0 | 0 | 111.6 | G25 S29 | G25-S27 PolarHBondContact O-N 2.94Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S27-S29 PolarHBondContact O-N 2.99Å; S27-S29 VanDerWaalsContact C-N 3.34Å |
| 28 | S | 68.6 | Low | 67.5 | Low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | | | trans | -72.7 | 89.9 | 162.9 | 162.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 29 | S | 67.7 | Low | 67.4 | Low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | | | trans | -148.5 | 78.4 | 158.2 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | S27 K31 | S27-S29 VanDerWaalsContact O-N 3.07Å; S27-S29 PolarHBondContact O-N 2.99Å; S27-S29 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 2.76Å |
| 30 | E | 62.2 | Low | 67.8 | Low | 178 Ų | 178 | 127.5 Ų | 127.5 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | trans | -73.8 | 75.3 | 177.5 | -62.7 | -179.3 | 129.8 | 0 | 0 | 110.3 | S32 | E30-S32 PolarHBondContact O-N 2.89Å; E30-S32 VanDerWaalsContact O-N 3.13Å |
| 31 | K | 70.4 | Confident | 68 | Low | 190 Ų | 190 | 130.2 Ų | 130.2 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | -79.9 | 79.5 | 152.9 | -68.8 | -161.2 | -177.6 | -174.7 | 0 | 107.8 | S29 K33 | S29-K31 PolarHBondContact O-N 2.76Å; K31-K33 PolarHBondContact O-N 2.97Å; K31-K33 VanDerWaalsContact O-N 3.16Å |
| 32 | S | 70.6 | Confident | 68.5 | Low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | trans | -54.7 | 118.5 | 173.4 | -64.8 | 0 | 0 | 0 | 0 | 109.6 | E30 S34 | E30-S32 PolarHBondContact O-N 2.89Å; E30-S32 VanDerWaalsContact O-N 3.13Å; S32-S34 PolarHBondContact O-N 3.07Å; S32-S34 VanDerWaalsContact O-N 3.07Å |
| 33 | K | 70.1 | Confident | 69.5 | Low | 203 Ų | 203 | 137.8 Ų | 137.8 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | trans | -63.4 | 111 | 171.2 | -69 | 176.3 | -178 | 171.3 | 0 | 107 | K31 S35 | K31-K33 PolarHBondContact O-N 2.97Å; K31-K33 VanDerWaalsContact O-N 3.16Å; K33-S35 PolarHBondContact O-N 2.94Å |
| 34 | S | 69.7 | Low | 70.4 | Confident | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -59.1 | 110.3 | 176.2 | 59.4 | 0 | 0 | 0 | 0 | 108.8 | S32 G36 | S32-S34 PolarHBondContact O-N 3.07Å; S32-S34 VanDerWaalsContact O-N 3.07Å; S34-G36 PolarHBondContact O-N 2.9Å |
| 35 | S | 70.4 | Confident | 71.4 | Confident | 127 Ų | 127 | 132.3 Ų | 132.3 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | | | trans | -73.2 | 33 | 168.8 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | K33 S37 | K33-S35 PolarHBondContact O-N 2.94Å; S35-S37 PolarHBondContact O-N 3.16Å |
| 36 | G | 69.2 | Low | 72.5 | Confident | 50 Ų | 50 | 137 Ų | 137 | 52% | 0.515 | 77% | 0.765 | S | S | . | * | | | trans | -72.8 | 97.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S34 S38 | S34-G36 PolarHBondContact O-N 2.9Å; G36-S38 PolarHBondContact O-N 3.07Å |
| 37 | S | 66.8 | Low | 72.9 | Confident | 71 Ų | 71 | 139.9 Ų | 139.9 | 50% | 0.497 | 78% | 0.782 | S | S | . | * | | | trans | -64.1 | 86.1 | 158.7 | -169.3 | 0 | 0 | 0 | 0 | 107.5 | S35 R39 | S35-S37 PolarHBondContact O-N 3.16Å; S37-R39 PolarHBondContact O-N 3.28Å; S37-R39 WeakPolarHBondContact OG-CG 3.39Å; S37-R39 PolarHBondContact OG-NE 3.13Å; S37-R39 PolarHBondContact OG-NH1 2.89Å; S37-R39 VanDerWaalsContact OG-NH1 3.08Å |
| 38 | S | 69.8 | Low | 73.4 | Confident | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -74.4 | 67.9 | 176.2 | -67.2 | 0 | 0 | 0 | 0 | 108.5 | G36 S40 | G36-S38 PolarHBondContact O-N 3.07Å; S38-S40 VanDerWaalsContact C-N 3.29Å; S38-S40 PolarHBondContact O-N 3.07Å |
| 39 | R | 72 | Confident | 73.6 | Confident | 183 Ų | 183 | 142.5 Ų | 142.5 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | -72.2 | 94.4 | 170.4 | -62.7 | -173.3 | -176.1 | 94.7 | -4.1 | 105.9 | S37 K41 | S37-R39 PolarHBondContact O-N 3.28Å; S37-R39 WeakPolarHBondContact OG-CG 3.39Å; S37-R39 PolarHBondContact OG-NE 3.13Å; S37-R39 PolarHBondContact OG-NH1 2.89Å; S37-R39 VanDerWaalsContact OG-NH1 3.08Å; R39-K41 PolarHBondContact O-N 2.94Å |
| 40 | S | 75.8 | Confident | 74 | Confident | 83 Ų | 83 | 145.1 Ų | 145.1 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | | | trans | -51.5 | 109.5 | 171.9 | -162.7 | 0 | 0 | 0 | 0 | 107.9 | S38 R42 | S38-S40 VanDerWaalsContact C-N 3.29Å; S38-S40 PolarHBondContact O-N 3.07Å; S40-R42 PolarHBondContact O-N 3.17Å |
| 41 | K | 74.4 | Confident | 74.7 | Confident | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -77.2 | 2.1 | 172.5 | -63.7 | -67.4 | -172.1 | 169.1 | 0 | 111.4 | R39 | R39-K41 PolarHBondContact O-N 2.94Š|
| 42 | R | 81.8 | Confident | 74.9 | Confident | 210 Ų | 210 | 140.3 Ų | 140.3 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 137 | -179.5 | -62.8 | -165.9 | -46.9 | 153.5 | 7.5 | 109.4 | S40 | S40-R42 PolarHBondContact O-N 3.17Š|
| 43 | K | 85.5 | Confident | 75.2 | Confident | 191 Ų | 191 | 142.8 Ų | 142.8 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.4 | 167.1 | -64.9 | -68.1 | -174.8 | 174.6 | 0 | 108.7 | | |
| 44 | P | 83.8 | Confident | 75.6 | Confident | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62 | 143.5 | 173.3 | 26.3 | -32.2 | 0 | 0 | 0 | 109.5 | | |
| 45 | S | 85.9 | Confident | 76 | Confident | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 129 | 170.2 | -166.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 46 | I | 82.3 | Confident | 76.5 | Confident | 161 Ų | 161 | 141.6 Ų | 141.6 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 138.9 | 164.9 | -156.9 | 78.2 | 0 | 0 | 0 | 107.5 | | |
| 47 | V | 70.9 | Confident | 77.2 | Confident | 205 Ų | 205 | 149.9 Ų | 149.9 | 100% | 1.242 | 79% | 0.791 | S | S | * | * | | | trans | -109 | 0 | 165.8 | 178.2 | 0 | 0 | 0 | 0 | 106.8 | | |