| 1 | I | 51.2 | Low | 58.4 | Low | 200 Ų | 200 | 146.5 Ų | 146.5 | 100% | 1.026 | 75% | 0.75 | S | S | * | * | | | | 0 | 101.3 | 0 | -57 | 174.5 | 0 | 0 | 0 | 105.6 | | |
| 2 | S | 58.8 | Low | 58.7 | Low | 77 Ų | 77 | 146.6 Ų | 146.6 | 54% | 0.538 | 75% | 0.753 | S | S | . | * | | | trans | -86 | 150.6 | -175.3 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | M4 E5 | S2-M4 PolarHBondContact O-N 2.87Å; S2-E5 PolarHBondContact O-N 3.41Å |
| 3 | N | 58.3 | Low | 59 | Low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -57.5 | 1.8 | 178.1 | -89.8 | 3.7 | 0 | 0 | 0 | 115.3 | E5 | N3-E5 PolarHBondContact O-N 3.15Å; N3-E5 VanDerWaalsContact C-N 3.28Å |
| 4 | M | 60.1 | Low | 59.6 | Low | 161 Ų | 161 | 146.5 Ų | 146.5 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -69.1 | -22.3 | 176.7 | -74.4 | -78.8 | -173.1 | 0 | 0 | 113.4 | S2 L6 | S2-M4 PolarHBondContact O-N 2.87Å; M4-L6 VanDerWaalsContact C-N 3.31Å; M4-L6 PolarHBondContact O-N 2.91Å |
| 5 | E | 57.9 | Low | 60.2 | Low | 145 Ų | 145 | 141.7 Ų | 141.7 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -81.1 | -8.7 | -178.1 | -65.7 | 179.7 | 170.1 | 0 | 0 | 113.4 | S2 N3 | S2-E5 PolarHBondContact O-N 3.41Å; N3-E5 PolarHBondContact O-N 3.15Å; N3-E5 VanDerWaalsContact C-N 3.28Å |
| 6 | L | 60.1 | Low | 60.5 | Low | 148 Ų | 148 | 140.6 Ų | 140.6 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -92 | -14.3 | -173.1 | -151.7 | 81.5 | 0 | 0 | 0 | 114.2 | M4 | M4-L6 VanDerWaalsContact C-N 3.31Å; M4-L6 PolarHBondContact O-N 2.91Å |
| 7 | E | 60.7 | Low | 61.1 | Low | 149 Ų | 149 | 144.2 Ų | 144.2 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 26.1 | -168.2 | -153.8 | 154.3 | -156.3 | 0 | 0 | 114.2 | I10 | E7-I10 HydrophobicContact CG-CD1 4.29Š|
| 8 | L | 58.8 | Low | 61.7 | Low | 152 Ų | 152 | 145.8 Ų | 145.8 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -1.6 | 177.8 | -64.9 | -180 | 0 | 0 | 0 | 114.5 | | |
| 9 | N | 57.4 | Low | 62 | Low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -110.6 | 2.7 | -176.4 | -90.3 | -16.5 | 0 | 0 | 0 | 115.9 | | |
| 10 | I | 57 | Low | 62.5 | Low | 122 Ų | 122 | 150.1 Ų | 150.1 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -80 | -20 | -177.3 | -59.3 | -179.6 | 0 | 0 | 0 | 112.2 | E7 N12 | E7-I10 HydrophobicContact CG-CD1 4.29Å; I10-N12 PolarHBondContact O-N 2.8Å |
| 11 | H | 62.6 | Low | 63.1 | Low | 169 Ų | 169 | 150.7 Ų | 150.7 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -101.6 | 65 | 177.1 | -71.9 | -61.4 | 0 | 0 | 0 | 112.3 | S13 | H11-S13 PolarHBondContact O-N 3.1Š|
| 12 | N | 61.9 | Low | 64.2 | Low | 148 Ų | 148 | 152 Ų | 152 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -64.7 | 51.8 | 145.4 | -80.7 | -54 | 0 | 0 | 0 | 110.5 | I10 K14 | I10-N12 PolarHBondContact O-N 2.8Å; N12-K14 PolarHBondContact O-N 3.15Å |
| 13 | S | 62 | Low | 65.1 | Low | 90 Ų | 90 | 159.6 Ų | 159.6 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | | | trans | -63.6 | 93.6 | 166.9 | 157.2 | 0 | 0 | 0 | 0 | 105.8 | H11 A15 | H11-S13 PolarHBondContact O-N 3.1Å; S13-A15 PolarHBondContact O-N 3.21Å |
| 14 | K | 67.4 | Low | 66 | Low | 202 Ų | 202 | 162 Ų | 162 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | | | trans | -58 | 92.9 | 161.1 | -72.8 | -169.3 | 178.7 | 178.9 | 0 | 105.9 | N12 | N12-K14 PolarHBondContact O-N 3.15Š|
| 15 | A | 68.3 | Low | 66.4 | Low | 74 Ų | 74 | 159.3 Ų | 159.3 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | | | trans | -53.5 | 127.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | S13 K17 | S13-A15 PolarHBondContact O-N 3.21Å; A15-K17 PolarHBondContact O-N 3.37Å |
| 16 | P | 65.5 | Low | 67.2 | Low | 124 Ų | 124 | 157.3 Ų | 157.3 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -54.8 | 122.6 | -175.8 | 17.8 | -28.2 | 0 | 0 | 0 | 108 | K18 | P16-K18 PolarHBondContact O-N 3.25Š|
| 17 | K | 71.4 | Confident | 67.8 | Low | 202 Ų | 202 | 155.6 Ų | 155.6 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | | | trans | -52.5 | 99.6 | -175.5 | -168.9 | 176 | -174.1 | 176.4 | 0 | 107.9 | A15 N19 | A15-K17 PolarHBondContact O-N 3.37Å; K17-N19 PolarHBondContact O-N 3.23Å |
| 18 | K | 71 | Confident | 68.3 | Low | 174 Ų | 174 | 158 Ų | 158 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | 1.4 | 100.6 | 173.3 | 31.2 | -174.3 | 163.1 | -172.9 | 0 | 112.3 | P16 R20 | P16-K18 PolarHBondContact O-N 3.25Å; K18-R20 PolarHBondContact O-N 3.24Å |
| 19 | N | 67.4 | Low | 69.1 | Low | 157 Ų | 157 | 158.3 Ų | 158.3 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | | | trans | -62.7 | 83.7 | 167.8 | 58.2 | -5.8 | 0 | 0 | 0 | 107.8 | K17 L21 | K17-N19 PolarHBondContact O-N 3.23Å; N19-L21 VanDerWaalsContact C-N 3.3Å; N19-L21 PolarHBondContact O-N 3.32Å |
| 20 | R | 72.5 | Confident | 69.6 | Low | 220 Ų | 220 | 156.8 Ų | 156.8 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | | | trans | -56.9 | 103.9 | 172.3 | -71 | -179.9 | 66.8 | -161.8 | 1.7 | 106 | K18 R22 | K18-R20 PolarHBondContact O-N 3.24Å; R20-R22 VanDerWaalsContact C-N 3.31Å; R20-R22 PolarHBondContact O-N 3.18Å |
| 21 | L | 73.8 | Confident | 70.3 | Confident | 162 Ų | 162 | 157.3 Ų | 157.3 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | | | trans | -53.1 | 103.7 | 174.2 | -178.6 | 66.2 | 0 | 0 | 0 | 105 | N19 R23 | N19-L21 VanDerWaalsContact C-N 3.3Å; N19-L21 PolarHBondContact O-N 3.32Å; L21-R23 PolarHBondContact O-N 2.91Å |
| 22 | R | 75.6 | Confident | 70.4 | Confident | 227 Ų | 227 | 153 Ų | 153 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | | | trans | -60.9 | 114.4 | 179.2 | -71.6 | -167.4 | 70.2 | -126.5 | -0.1 | 104.6 | R20 K24 | R20-R22 VanDerWaalsContact C-N 3.31Å; R20-R22 PolarHBondContact O-N 3.18Å; R22-K24 PolarHBondContact O-N 3.35Å |
| 23 | R | 77.2 | Confident | 70.7 | Confident | 238 Ų | 238 | 152.7 Ų | 152.7 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 121.6 | 178 | -70 | -163.1 | 67.9 | 160.2 | 1.8 | 106.7 | L21 S25 | L21-R23 PolarHBondContact O-N 2.91Å; R23-S25 PolarHBondContact O-N 3.44Å |
| 24 | K | 76.5 | Confident | 70.9 | Confident | 200 Ų | 200 | 154.4 Ų | 154.4 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.9 | 171.9 | -58.9 | -164.2 | 77.9 | 178 | 0 | 106.6 | R22 S26 | R22-K24 PolarHBondContact O-N 3.35Å; K24-S26 PolarHBondContact O-N 3.08Å |
| 25 | S | 70.1 | Confident | 70.7 | Confident | 105 Ų | 105 | 150.3 Ų | 150.3 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 125.1 | 168.3 | 47.6 | 0 | 0 | 0 | 0 | 107.1 | R23 T27 | R23-S25 PolarHBondContact O-N 3.44Å; S25-T27 PolarHBondContact O-N 3.47Å |
| 26 | S | 74.5 | Confident | 70.3 | Confident | 102 Ų | 102 | 151.2 Ų | 151.2 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 116.6 | 167.3 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | K24 R28 | K24-S26 PolarHBondContact O-N 3.08Å; S26-R28 PolarHBondContact O-N 2.93Å |
| 27 | T | 71.8 | Confident | 70.1 | Confident | 113 Ų | 113 | 151.1 Ų | 151.1 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | | | trans | -70.1 | 86.4 | 165.4 | -54.1 | 0 | 0 | 0 | 0 | 105.9 | S25 H29 | S25-T27 PolarHBondContact O-N 3.47Å; T27-H29 PolarHBondContact O-N 2.82Å |
| 28 | R | 71.9 | Confident | 69.6 | Low | 200 Ų | 200 | 146.5 Ų | 146.5 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | -60.3 | 124.8 | 162.3 | -66.1 | -147.5 | -58.1 | -117.8 | 3.2 | 105.4 | S26 I30 | S26-R28 PolarHBondContact O-N 2.93Å; R28-I30 VanDerWaalsContact C-N 3.31Å; R28-I30 PolarHBondContact O-N 2.86Å |
| 29 | H | 74.5 | Confident | 69.5 | Low | 157 Ų | 157 | 147.6 Ų | 147.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | -64.9 | 100.5 | 174.4 | -68 | 71.3 | 0 | 0 | 0 | 105.7 | T27 H31 | T27-H29 PolarHBondContact O-N 2.82Å; H29-H31 PolarHBondContact O-N 2.73Å; H29-H31 VanDerWaalsContact O-N 3.11Å |
| 30 | I | 67.7 | Low | 69.6 | Low | 106 Ų | 106 | 148 Ų | 148 | 54% | 0.544 | 73% | 0.731 | S | S | . | * | | | trans | -70.8 | 108.6 | 173.1 | -59.4 | 176 | 0 | 0 | 0 | 104.6 | R28 A32 E34 L35 | R28-I30 VanDerWaalsContact C-N 3.31Å; R28-I30 PolarHBondContact O-N 2.86Å; I30-A32 PolarHBondContact O-N 3.49Å; I30-E34 HydrophobicContact CG2-CB 4.33Å; I30-L35 HydrophobicContact CG2-CD1 4.1Å; I30-L35 HydrophobicContact CG2-CD2 4.1Å; I30-L35 HydrophobicContact CG2-CG 3.71Å |
| 31 | H | 71.7 | Confident | 69.1 | Low | 134 Ų | 134 | 144.1 Ų | 144.1 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | | | trans | -63.9 | 137.6 | 176.7 | -70.3 | -79.7 | 0 | 0 | 0 | 108.2 | H29 L33 E34 | H29-H31 PolarHBondContact O-N 2.73Å; H29-H31 VanDerWaalsContact O-N 3.11Å; H31-L33 PolarHBondContact O-N 3.5Å; H31-E34 PolarHBondContact O-N 3.44Å; H31-E34 WeakPolarHBondContact O-CB 3.45Å |
| 32 | A | 66.5 | Low | 69 | Low | 77 Ų | 77 | 141 Ų | 141 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -51.5 | -26.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I30 | I30-A32 PolarHBondContact O-N 3.49Å |
| 33 | L | 68.1 | Low | 68.8 | Low | 143 Ų | 143 | 134.5 Ų | 134.5 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.9 | -30.4 | 177.4 | -57.6 | 176.4 | 0 | 0 | 0 | 113.6 | H31 | H31-L33 PolarHBondContact O-N 3.5Å |
| 34 | E | 65.9 | Low | 68.4 | Low | 125 Ų | 125 | 128.6 Ų | 128.6 | 58% | 0.584 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -72.5 | -31.9 | 179 | -168.7 | 179.5 | 166.5 | 0 | 0 | 111.8 | I30 H31 V36 | I30-E34 HydrophobicContact CG2-CB 4.33Å; H31-E34 PolarHBondContact O-N 3.44Å; H31-E34 WeakPolarHBondContact O-CB 3.45Å; E34-V36 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 2.86Å |
| 35 | L | 62.9 | Low | 68.1 | Low | 116 Ų | 116 | 125.9 Ų | 125.9 | 61% | 0.607 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.2 | -24.3 | 178.3 | -72.3 | 168 | 0 | 0 | 0 | 113.6 | I30 | I30-L35 HydrophobicContact CG2-CD1 4.1Å; I30-L35 HydrophobicContact CG2-CD2 4.1Å; I30-L35 HydrophobicContact CG2-CG 3.71Å |
| 36 | V | 60.7 | Low | 68.2 | Low | 93 Ų | 93 | 125.6 Ų | 125.6 | 56% | 0.564 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -81.3 | -22.1 | -176 | 175.6 | 0 | 0 | 0 | 0 | 112 | E34 S38 | E34-V36 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 2.86Å; V36-S38 PolarHBondContact O-N 3.49Å |
| 37 | V | 60.3 | Low | 68.3 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 75% | 0.745 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -19.2 | -172.6 | 176.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 38 | S | 61.8 | Low | 68.8 | Low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -1.7 | -176.8 | 102.8 | 0 | 0 | 0 | 0 | 115 | V36 N40 | V36-S38 PolarHBondContact O-N 3.49Å; S38-N40 PolarHBondContact O-N 2.88Å |
| 39 | R | 68.1 | Low | 69.4 | Low | 196 Ų | 196 | 127 Ų | 127 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -80.2 | 120.1 | 168.6 | -81 | -178 | 176.1 | -179.9 | -1.2 | 106.5 | L41 | R39-L41 VanDerWaalsContact C-N 3.26Å; R39-L41 HydrophobicContact CB-CD2 4.38Å; R39-L41 WeakPolarHBondContact O-CG 3.49Å; R39-L41 PolarHBondContact O-N 2.91Å |
| 40 | N | 68.8 | Low | 69.8 | Low | 167 Ų | 167 | 128.3 Ų | 128.3 | 89% | 0.893 | 70% | 0.703 | S | S | * | * | | | trans | -50.8 | 98.2 | 165.3 | -70.9 | -56.9 | 0 | 0 | 0 | 107.8 | S38 S42 | S38-N40 PolarHBondContact O-N 2.88Å; N40-S42 PolarHBondContact O-N 3.11Å |
| 41 | L | 62.3 | Low | 70.8 | Confident | 137 Ų | 137 | 130.6 Ų | 130.6 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | | | trans | -76.5 | 71.7 | 172.6 | -58.5 | -178.8 | 0 | 0 | 0 | 105.6 | R39 | R39-L41 VanDerWaalsContact C-N 3.26Å; R39-L41 HydrophobicContact CB-CD2 4.38Å; R39-L41 WeakPolarHBondContact O-CG 3.49Å; R39-L41 PolarHBondContact O-N 2.91Å |
| 42 | S | 71.2 | Confident | 71.3 | Confident | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 128.4 | 156.9 | 178 | 0 | 0 | 0 | 0 | 105.4 | N40 | N40-S42 PolarHBondContact O-N 3.11Š|
| 43 | P | 73 | Confident | 72.1 | Confident | 91 Ų | 91 | 133 Ų | 133 | 59% | 0.591 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 122.7 | 178.2 | -25.9 | 32.8 | 0 | 0 | 0 | 107.7 | N45 | P43-N45 PolarHBondContact O-N 3.17Å; P43-N45 VanDerWaalsContact O-N 3.08Å |
| 44 | P | 68.9 | Low | 72.7 | Confident | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 126.7 | 177.8 | 23.1 | -31.2 | 0 | 0 | 0 | 106 | C46 | P44-C46 PolarHBondContact O-N 3.21Å; P44-C46 PolarHBondContact O-SG 3.3Å |
| 45 | N | 69.9 | Low | 73.2 | Confident | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | -30.5 | 101.6 | -175.2 | -173.7 | -63.3 | 0 | 0 | 0 | 110.2 | P43 T47 | P43-N45 PolarHBondContact O-N 3.17Å; P43-N45 VanDerWaalsContact O-N 3.08Å; N45-T47 PolarHBondContact O-N 2.89Å |
| 46 | C | 71.7 | Confident | 73.9 | Confident | 99 Ų | 99 | 131.1 Ų | 131.1 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | trans | -71.7 | 97.6 | -174.5 | -62.5 | 0 | 0 | 0 | 0 | 106.7 | P44 E48 | P44-C46 PolarHBondContact O-N 3.21Å; P44-C46 PolarHBondContact O-SG 3.3Å; C46-E48 VanDerWaalsContact C-N 3.26Å; C46-E48 PolarHBondContact O-N 3.23Å |
| 47 | T | 77.3 | Confident | 74.6 | Confident | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | -72.6 | 87.6 | 172.2 | -20.1 | 0 | 0 | 0 | 0 | 107.8 | N45 L49 | N45-T47 PolarHBondContact O-N 2.89Å; T47-L49 PolarHBondContact O-N 3.06Å |
| 48 | E | 81.9 | Confident | 75.3 | Confident | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | -73.5 | 113.1 | 172.8 | -169.4 | 168.2 | -167.2 | 0 | 0 | 108.2 | C46 Q50 | C46-E48 VanDerWaalsContact C-N 3.26Å; C46-E48 PolarHBondContact O-N 3.23Å; E48-Q50 PolarHBondContact O-N 2.76Å |
| 49 | L | 84 | Confident | 75.8 | Confident | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -75.6 | 114.5 | 178.1 | -64.1 | 177.5 | 0 | 0 | 0 | 108.5 | T47 I51 | T47-L49 PolarHBondContact O-N 3.06Å; L49-I51 PolarHBondContact O-N 3.2Å |
| 50 | Q | 83.8 | Confident | 75.8 | Confident | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -66.9 | 129.1 | 175.2 | -65.5 | -167.9 | -38.9 | 0 | 0 | 109.7 | E48 | E48-Q50 PolarHBondContact O-N 2.76Š|
| 51 | I | 86.9 | Confident | 75.8 | Confident | 155 Ų | 155 | 135.8 Ų | 135.8 | 80% | 0.795 | 76% | 0.764 | S | S | * | * | | | trans | -110.7 | 111.6 | 173.2 | -56.3 | 177.4 | 0 | 0 | 0 | 107 | L49 | L49-I51 PolarHBondContact O-N 3.2Š|
| 52 | D | 84.3 | Confident | 75.8 | Confident | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -70 | 133.2 | 173.7 | -66.7 | -35.5 | 0 | 0 | 0 | 109.9 | C54 | D52-C54 PolarHBondContact O-N 2.73Š|
| 53 | S | 81.9 | Confident | 75.5 | Confident | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -75.5 | 105.9 | 178.7 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | S55 | S53-S55 PolarHBondContact O-N 2.78Š|
| 54 | C | 81.3 | Confident | 75 | Confident | 124 Ų | 124 | 148 Ų | 148 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | trans | -74 | 108.5 | 172.2 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | D52 S56 | D52-C54 PolarHBondContact O-N 2.73Å; C54-S56 PolarHBondContact O-N 2.82Å |
| 55 | S | 76.6 | Confident | 74.5 | Confident | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -74.3 | 107.4 | 167 | -73.5 | 0 | 0 | 0 | 0 | 109 | S53 S57 | S53-S55 PolarHBondContact O-N 2.78Å; S55-S57 PolarHBondContact O-N 2.93Å |
| 56 | S | 77.9 | Confident | 74 | Confident | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -62.6 | 117.1 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | C54 E58 | C54-S56 PolarHBondContact O-N 2.82Å; S56-E58 PolarHBondContact O-N 2.73Å |
| 57 | S | 74.5 | Confident | 72.8 | Confident | 115 Ų | 115 | 151.5 Ų | 151.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -88 | 92.6 | 169.4 | 64.9 | 0 | 0 | 0 | 0 | 108.9 | S55 E59 | S55-S57 PolarHBondContact O-N 2.93Å; S57-E59 PolarHBondContact O-N 3.03Å |
| 58 | E | 75.7 | Confident | 71.4 | Confident | 180 Ų | 180 | 152.8 Ų | 152.8 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | | | trans | -68 | 115.1 | 171.9 | -161.5 | 161.9 | -165.9 | 0 | 0 | 109.2 | S56 I60 | S56-E58 PolarHBondContact O-N 2.73Å; E58-I60 PolarHBondContact O-N 2.76Å; E58-I60 VanDerWaalsContact O-N 3.15Å |
| 59 | E | 72.3 | Confident | 69.9 | Low | 169 Ų | 169 | 148.9 Ų | 148.9 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -78.2 | 97.4 | -178.4 | -167.3 | -168.9 | 119.1 | 0 | 0 | 110.3 | S57 K61 | S57-E59 PolarHBondContact O-N 3.03Å; E59-K61 PolarHBondContact O-N 3.36Å; E59-K61 VanDerWaalsContact O-N 3.1Å |
| 60 | I | 67.8 | Low | 68.3 | Low | 144 Ų | 144 | 147.9 Ų | 147.9 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | trans | -75.8 | 94.5 | 160.1 | 44.6 | 162.4 | 0 | 0 | 0 | 109.4 | E58 K62 | E58-I60 PolarHBondContact O-N 2.76Å; E58-I60 VanDerWaalsContact O-N 3.15Å; I60-K62 PolarHBondContact O-N 2.79Å |
| 61 | K | 68.9 | Low | 66.8 | Low | 174 Ų | 174 | 148.4 Ų | 148.4 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | | | trans | -57.5 | 100 | 165.6 | -172.2 | 170.6 | -179.1 | 171.5 | 0 | 109 | E59 K63 | E59-K61 PolarHBondContact O-N 3.36Å; E59-K61 VanDerWaalsContact O-N 3.1Å; K61-K63 PolarHBondContact O-N 3.48Å |
| 62 | K | 61.8 | Low | 65 | Low | 184 Ų | 184 | 145.5 Ų | 145.5 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | | | trans | -58.6 | 102.9 | 175.7 | -70.6 | -173.6 | 179.8 | 179 | 0 | 109.1 | I60 K64 | I60-K62 PolarHBondContact O-N 2.79Å; K62-K64 PolarHBondContact O-N 3.44Å |
| 63 | K | 65.4 | Low | 63.5 | Low | 187 Ų | 187 | 147.8 Ų | 147.8 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | trans | -65.6 | 127.2 | 153.4 | -67.6 | -169.7 | -179.3 | -179.8 | 0 | 105.9 | K61 V65 | K61-K63 PolarHBondContact O-N 3.48Å; K63-V65 VanDerWaalsContact C-N 3.28Å; K63-V65 PolarHBondContact O-N 3.44Å |
| 64 | K | 62.8 | Low | 62.4 | Low | 210 Ų | 210 | 151.5 Ų | 151.5 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | | | trans | -59.9 | 94 | 172.5 | -67.6 | -170 | -179.2 | -164.6 | 0 | 108.1 | K62 | K62-K64 PolarHBondContact O-N 3.44Š|
| 65 | V | 58.4 | Low | 61.3 | Low | 126 Ų | 126 | 154.5 Ų | 154.5 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | | | trans | -90.1 | 113.5 | 164.5 | -177.3 | 0 | 0 | 0 | 0 | 105.3 | K63 | K63-V65 VanDerWaalsContact C-N 3.28Å; K63-V65 PolarHBondContact O-N 3.44Å |
| 66 | Q | 58.1 | Low | 60.2 | Low | 169 Ų | 169 | 154.5 Ų | 154.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | -56.5 | 146 | 174.9 | -62.4 | -164.7 | 34.5 | 0 | 0 | 109.9 | N68 | Q66-N68 PolarHBondContact O-N 2.79Å; Q66-N68 VanDerWaalsContact O-N 3.15Å |
| 67 | P | 48.2 | Very low | 59.4 | Low | 135 Ų | 135 | 155.7 Ų | 155.7 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -78.7 | 108.5 | -174.9 | 32.1 | -29.7 | 0 | 0 | 0 | 108.8 | | |
| 68 | N | 47.5 | Very low | 58.6 | Low | 144 Ų | 144 | 156.5 Ų | 156.5 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | trans | -112.4 | 117.6 | 152.2 | 56 | -12.9 | 0 | 0 | 0 | 108.7 | Q66 | Q66-N68 PolarHBondContact O-N 2.79Å; Q66-N68 VanDerWaalsContact O-N 3.15Å |
| 69 | A | 49.4 | Very low | 57.8 | Low | 97 Ų | 97 | 157 Ų | 157 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | -57 | 135.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 70 | S | 50.3 | Low | 57.1 | Low | 126 Ų | 126 | 152.6 Ų | 152.6 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | | | trans | -168.6 | 139.7 | 145.1 | -78.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 71 | Q | 53 | Low | 56.1 | Low | 196 Ų | 196 | 161.2 Ų | 161.2 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | | | trans | -72.4 | 151.6 | -165.4 | -54.1 | 167.8 | 10.4 | 0 | 0 | 113.1 | | |
| 72 | A | 48.1 | Very low | 55.4 | Low | 94 Ų | 94 | 160.6 Ų | 160.6 | 78% | 0.777 | 85% | 0.849 | S | S | * | * | | | trans | -161.6 | 108.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 73 | Q | 53.6 | Low | 55.1 | Low | 192 Ų | 192 | 159.4 Ų | 159.4 | 90% | 0.897 | 85% | 0.851 | S | S | * | * | | | trans | -74.2 | 134.9 | 163.2 | -62.8 | -173.3 | -11.6 | 0 | 0 | 109.3 | | |
| 74 | Q | 57.9 | Low | 54.5 | Low | 194 Ų | 194 | 157.8 Ų | 157.8 | 91% | 0.907 | 85% | 0.854 | S | S | * | * | | | trans | -138.9 | 140.6 | 153.2 | -67.5 | -167.1 | 39.6 | 0 | 0 | 110.8 | | |
| 75 | K | 58.5 | Low | 54 | Low | 187 Ų | 187 | 154.8 Ų | 154.8 | 81% | 0.813 | 85% | 0.85 | S | S | * | * | | | trans | -78.9 | 158.6 | -151.9 | -177.7 | -174.2 | 178.5 | -169.7 | 0 | 114.8 | | |
| 76 | P | 53.7 | Low | 53.8 | Low | 112 Ų | 112 | 156.6 Ų | 156.6 | 73% | 0.727 | 86% | 0.855 | S | S | * | * | | | trans | -72.6 | 134.2 | 171.9 | 8.1 | 0.6 | 0 | 0 | 0 | 112.3 | | |
| 77 | T | 60.7 | Low | 53.5 | Low | 134 Ų | 134 | 155.7 Ų | 155.7 | 82% | 0.822 | 86% | 0.86 | S | S | * | * | | | trans | -106.1 | 101.5 | 167.2 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 78 | T | 59.7 | Low | 53.8 | Low | 132 Ų | 132 | 157.2 Ų | 157.2 | 81% | 0.81 | 86% | 0.859 | S | S | * | * | | | trans | -75.4 | 126.9 | 161 | 39.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 79 | H | 57.9 | Low | 54.3 | Low | 192 Ų | 192 | 158.2 Ų | 158.2 | 89% | 0.889 | 87% | 0.865 | S | S | * | * | | | trans | -117.9 | 108.9 | 157.2 | -94.8 | -54.7 | 0 | 0 | 0 | 108.6 | | |
| 80 | G | 58.2 | Low | 54.7 | Low | 76 Ų | 76 | 163.3 Ų | 163.3 | 78% | 0.784 | 87% | 0.871 | S | S | * | * | | | trans | -89.1 | 155.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 81 | R | 45.4 | Very low | 55.1 | Low | 325 Ų | 325 | 166.7 Ų | 166.7 | 100% | 1.226 | 87% | 0.87 | S | S | * | * | | | | -147.6 | 0 | 120.3 | -174.1 | 177.4 | -175.5 | -174.8 | 1.8 | 108.2 | | |