| 1 | M | 39.8 | Very low | 43 | Very low | 246 Ų | 246 | 149 Ų | 149 | 100% | 1.212 | 85% | 0.849 | S | S | * | * | | | | 0 | 123.1 | 0 | -83.1 | 178.4 | -85.8 | 0 | 0 | 108.5 | | |
| 2 | R | 43 | Very low | 43.2 | Very low | 258 Ų | 258 | 142.9 Ų | 142.9 | 97% | 0.974 | 83% | 0.83 | S | S | * | * | | | trans | -126.7 | 120.6 | 169 | -81 | -176.4 | 167.8 | 175.9 | -3.6 | 107 | | |
| 3 | Q | 48.3 | Very low | 43.8 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | | | trans | -96 | 134.6 | -178.1 | -168.9 | 178.5 | -5.1 | 0 | 0 | 108.2 | | |
| 4 | L | 39.2 | Very low | 43.5 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | | | trans | -135.6 | 155.7 | 159.5 | -85.6 | 176.7 | 0 | 0 | 0 | 108.3 | | |
| 5 | P | 38.4 | Very low | 43.4 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | | -96.2 | 168.9 | -129.4 | 35.6 | -37.2 | 0 | 0 | 0 | 115.1 | G7 | P5-G7 PolarHBondContact O-N 3.36Š|
| 6 | A | 55.3 | Low | 43 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 123.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 7 | G | 36.6 | Very low | 43.1 | Very low | 65 Ų | 65 | 139.6 Ų | 139.6 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 144.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | P5 | P5-G7 PolarHBondContact O-N 3.36Š|
| 8 | P | 40.1 | Very low | 43.5 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 148.4 | -163.8 | 31.3 | -36.4 | 0 | 0 | 0 | 113.7 | | |
| 9 | S | 39.9 | Very low | 43.6 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -7.9 | 139.6 | 147.4 | 51.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 10 | S | 51.8 | Low | 43.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | trans | 18.1 | 110.7 | 145.5 | -180 | 0 | 0 | 0 | 0 | 116.4 | | |
| 11 | L | 41 | Very low | 43.4 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | | | trans | -131.5 | 107.5 | 157.3 | -109.2 | 146.3 | 0 | 0 | 0 | 109 | | |
| 12 | A | 45.2 | Very low | 43.4 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 63% | 0.628 | 80% | 0.797 | S | S | * | * | | | trans | -60.1 | 145.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 13 | C | 50.3 | Low | 43.3 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | | | trans | 54.7 | 123.4 | 154.8 | -60.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 14 | S | 39.8 | Very low | 43.1 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -146.4 | 115 | 143.5 | -164.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 15 | G | 41.9 | Very low | 43.2 | Very low | 64 Ų | 64 | 120.4 Ų | 120.4 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | -51.1 | 141.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K17 | G15-K17 PolarHBondContact O-N 3.48Š|
| 16 | C | 37 | Very low | 43.4 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 91% | 0.912 | 78% | 0.781 | S | S | * | * | | | trans | -51.1 | 112.5 | 159 | -59.8 | 0 | 0 | 0 | 0 | 107 | A18 | C16-A18 PolarHBondContact O-N 3.31Š|
| 17 | K | 45.2 | Very low | 42.6 | Very low | 204 Ų | 204 | 123.9 Ų | 123.9 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | -54.5 | 107.6 | 179.3 | -71.9 | -169 | 175.9 | -172.3 | 0 | 108.4 | G15 G19 | G15-K17 PolarHBondContact O-N 3.48Å; K17-G19 PolarHBondContact O-N 3.41Å |
| 18 | A | 50 | Low | 43 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -55 | 131 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | C16 R20 | C16-A18 PolarHBondContact O-N 3.31Å; A18-R20 PolarHBondContact O-N 3.39Å |
| 19 | G | 45.4 | Very low | 43.1 | Very low | 64 Ų | 64 | 129.5 Ų | 129.5 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | -47.7 | 134.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K17 L21 | K17-G19 PolarHBondContact O-N 3.41Å; G19-L21 PolarHBondContact O-N 3.49Å |
| 20 | R | 40.8 | Very low | 43.2 | Very low | 227 Ų | 227 | 132.4 Ų | 132.4 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -36.5 | 110.2 | 173.2 | 176.5 | 179.5 | 165.1 | -157.6 | -3.4 | 111.4 | A18 V22 | A18-R20 PolarHBondContact O-N 3.39Å; R20-V22 HydrophobicContact CG-CG2 4.4Å; R20-V22 PolarHBondContact O-N 3.27Å |
| 21 | L | 42.7 | Very low | 42.9 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -70.3 | 112.5 | 164.4 | -107.7 | 119.2 | 0 | 0 | 0 | 107.8 | G19 T23 | G19-L21 PolarHBondContact O-N 3.49Å; L21-T23 PolarHBondContact O-N 3.37Å |
| 22 | V | 40.2 | Very low | 42.9 | Very low | 103 Ų | 103 | 132 Ų | 132 | 62% | 0.624 | 78% | 0.775 | S | S | * | * | | | trans | -80.5 | 106.1 | 168.5 | 176.8 | 0 | 0 | 0 | 0 | 106.8 | R20 V24 | R20-V22 HydrophobicContact CG-CG2 4.4Å; R20-V22 PolarHBondContact O-N 3.27Å; V22-V24 PolarHBondContact O-N 3.07Å |
| 23 | T | 40.5 | Very low | 42.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -80.6 | 114.9 | 172.7 | -38.9 | 0 | 0 | 0 | 0 | 108.5 | L21 | L21-T23 PolarHBondContact O-N 3.37Š|
| 24 | V | 44.3 | Very low | 42.4 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 133.4 | 172.1 | -172.1 | 0 | 0 | 0 | 0 | 107.9 | V22 F26 | V22-V24 PolarHBondContact O-N 3.07Å; V24-F26 PolarHBondContact O-N 3.34Å |
| 25 | P | 40.6 | Very low | 42.6 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 131 | -178.7 | 26.1 | -32.1 | 0 | 0 | 0 | 110.8 | S27 | P25-S27 PolarHBondContact O-N 2.96Š|
| 26 | F | 43.9 | Very low | 42.6 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72 | 118.8 | 177.7 | -177.9 | -100.3 | 0 | 0 | 0 | 110.1 | V24 | V24-F26 PolarHBondContact O-N 3.34Š|
| 27 | S | 37.7 | Very low | 43.1 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -95.1 | 114.4 | 166.7 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | P25 R29 | P25-S27 PolarHBondContact O-N 2.96Å; S27-R29 VanDerWaalsContact C-N 3.25Å; S27-R29 PolarHBondContact O-N 2.91Å |
| 28 | S | 45.6 | Very low | 43 | Very low | 85 Ų | 85 | 138 Ų | 138 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | | | trans | -85.6 | 17.2 | -175 | 65.7 | 0 | 0 | 0 | 0 | 114 | | |
| 29 | R | 40.3 | Very low | 42.6 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -6.5 | -160.4 | -144.7 | 170.8 | -172.9 | 172 | 1.5 | 116.6 | S27 | S27-R29 VanDerWaalsContact C-N 3.25Å; S27-R29 PolarHBondContact O-N 2.91Å |
| 30 | D | 43.6 | Very low | 42.5 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 8.2 | 178.3 | -63.5 | -37.8 | 0 | 0 | 0 | 113.4 | | |
| 31 | A | 44.3 | Very low | 42.6 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -89.9 | 2.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 32 | E | 42.7 | Very low | 42.5 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -108.4 | -2.2 | -171.7 | -68.1 | -138.8 | 111.3 | 0 | 0 | 115.9 | | |
| 33 | D | 43.6 | Very low | 42.9 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -139.8 | 58.5 | -177.2 | -154.9 | 35 | 0 | 0 | 0 | 114.4 | | |
| 34 | Q | 41.3 | Very low | 42.9 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | | | trans | -155.9 | 85.6 | 151.4 | -115.2 | 178.6 | 71.5 | 0 | 0 | 112 | S36 | Q34-S36 PolarHBondContact O-N 2.69Š|
| 35 | G | 42.8 | Very low | 42.8 | Very low | 90 Ų | 90 | 138 Ų | 138 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | | | trans | -66.2 | 79.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 36 | S | 43 | Very low | 43.1 | Very low | 78 Ų | 78 | 136 Ų | 136 | 55% | 0.545 | 77% | 0.768 | S | S | . | * | S | Bend | trans | -176.2 | 96.2 | 159.5 | 173.5 | 0 | 0 | 0 | 0 | 108.9 | Q34 E38 | Q34-S36 PolarHBondContact O-N 2.69Å; S36-E38 PolarHBondContact O-N 2.9Å |
| 37 | R | 46.8 | Very low | 43.1 | Very low | 249 Ų | 249 | 137.1 Ų | 137.1 | 94% | 0.94 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 34.4 | 27.7 | 144.6 | -142.1 | -173.2 | -173.7 | -152.1 | 0.8 | 121 | | |
| 38 | E | 42.9 | Very low | 43.5 | Very low | 147 Ų | 147 | 138 Ų | 138 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | | | trans | -131.8 | 88.4 | 174.7 | -86.9 | 159 | -171.1 | 0 | 0 | 108 | S36 I40 | S36-E38 PolarHBondContact O-N 2.9Å; E38-I40 PolarHBondContact O-N 2.96Å |
| 39 | G | 42.5 | Very low | 43.6 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | -63.4 | 103.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | G41 | G39-G41 PolarHBondContact O-N 3.2Š|
| 40 | I | 41.7 | Very low | 43.8 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | | | trans | -68.6 | 85.6 | 174.7 | -53.2 | 177.5 | 0 | 0 | 0 | 107.4 | E38 W42 | E38-I40 PolarHBondContact O-N 2.96Å; I40-W42 PolarHBondContact O-N 2.79Å |
| 41 | G | 44.4 | Very low | 43.8 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -74.2 | 100 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | G39 | G39-G41 PolarHBondContact O-N 3.2Š|
| 42 | W | 40.1 | Very low | 43.7 | Very low | 231 Ų | 231 | 136.9 Ų | 136.9 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | | | trans | -77.3 | 125.3 | 166.2 | -71.9 | 97.7 | 0 | 0 | 0 | 109.5 | I40 | I40-W42 PolarHBondContact O-N 2.79Š|
| 43 | Q | 47.7 | Very low | 43.8 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | trans | -126.1 | 151 | 170.4 | -108 | -161.9 | -8.9 | 0 | 0 | 112.4 | | |
| 44 | P | 40.7 | Very low | 43.6 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 63% | 0.63 | 75% | 0.753 | S | S | * | * | | | trans | -70 | 155.3 | -172.5 | 29.2 | -33.6 | 0 | 0 | 0 | 112.8 | G46 | P44-G46 PolarHBondContact O-N 3.37Š|
| 45 | P | 42.1 | Very low | 43.8 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 129.1 | -175.7 | 25.1 | -32.4 | 0 | 0 | 0 | 111.3 | | |
| 46 | G | 46.7 | Very low | 43.7 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.8 | 9.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | P44 | P44-G46 PolarHBondContact O-N 3.37Š|
| 47 | R | 45 | Very low | 44.1 | Very low | 213 Ų | 213 | 138 Ų | 138 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -125.5 | 139.2 | 172.4 | -71.9 | -174.1 | 177.9 | -117.5 | -0.1 | 111.9 | | |
| 48 | S | 45.3 | Very low | 44.1 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -68 | 147.8 | 175.4 | 18.2 | 0 | 0 | 0 | 0 | 111.4 | A50 | S48-A50 PolarHBondContact O-N 3.03Å; S48-A50 VanDerWaalsContact O-N 3.12Å |
| 49 | W | 48.9 | Very low | 44.1 | Very low | 222 Ų | 222 | 136 Ų | 136 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | | | trans | -48.7 | 115 | 178.9 | -83.9 | 23.1 | 0 | 0 | 0 | 111.5 | H51 | W49-H51 AromaticContact CE3-CE1 3.22Å; W49-H51 AromaticContact CE3-NE2 3.18Å; W49-H51 AromaticContact CZ3-CE1 3.33Å; W49-H51 WeakPolarHBondContact CZ3-CE1 3.33Å; W49-H51 AromaticContact CZ3-NE2 3.59Å |
| 50 | A | 44.8 | Very low | 44.2 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | | | trans | -95.4 | 98 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | S48 T52 | S48-A50 PolarHBondContact O-N 3.03Å; S48-A50 VanDerWaalsContact O-N 3.12Å; A50-T52 PolarHBondContact O-N 3.12Å |
| 51 | H | 41.7 | Very low | 44.4 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 62% | 0.616 | 74% | 0.743 | S | S | * | * | | | trans | -69.4 | 96.8 | 165.1 | -71.1 | -66.8 | 0 | 0 | 0 | 108.5 | W49 T53 | W49-H51 AromaticContact CE3-CE1 3.22Å; W49-H51 AromaticContact CE3-NE2 3.18Å; W49-H51 AromaticContact CZ3-CE1 3.33Å; W49-H51 WeakPolarHBondContact CZ3-CE1 3.33Å; W49-H51 AromaticContact CZ3-NE2 3.59Å; H51-T53 PolarHBondContact O-N 3.22Å |
| 52 | T | 42.2 | Very low | 44.7 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | | | trans | -83.2 | 88 | 166.5 | 45.6 | 0 | 0 | 0 | 0 | 108.7 | A50 A62 | A50-T52 PolarHBondContact O-N 3.12Å; T52-A62 HydrophobicContact CG2-CB 4Å |
| 53 | T | 46.8 | Very low | 44.8 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | -132.7 | 92 | 165.3 | 47.4 | 0 | 0 | 0 | 0 | 109.4 | H51 | H51-T53 PolarHBondContact O-N 3.22Š|
| 54 | E | 38.9 | Very low | 44.8 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | | | | -178.8 | 121.3 | 115.6 | -130.1 | 172 | 160.1 | 0 | 0 | 107.8 | E56 | E54-E56 PolarHBondContact O-N 3.39Š|
| 55 | Q | 45.3 | Very low | 45.1 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | | | trans | -89.8 | 102.2 | 174.2 | -177.9 | -177.5 | 4.2 | 0 | 0 | 108 | G57 Q60 | Q55-G57 PolarHBondContact NE2-O 3.38Å; Q55-G57 WeakPolarHBondContact CG-O 3.44Å; Q55-Q60 HydrophobicContact CG-CG 4.27Å |
| 56 | E | 41.3 | Very low | 45.4 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | | | trans | -100.6 | 99.5 | 168.2 | -144.8 | -177.5 | 178.3 | 0 | 0 | 109 | E54 | E54-E56 PolarHBondContact O-N 3.39Š|
| 57 | G | 50.2 | Low | 45.6 | Very low | 52 Ų | 52 | 139.1 Ų | 139.1 | 54% | 0.536 | 73% | 0.732 | S | S | . | * | S | Bend | trans | 82.1 | -168.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q55 H59 | Q55-G57 PolarHBondContact NE2-O 3.38Å; Q55-G57 WeakPolarHBondContact CG-O 3.44Å; G57-H59 PolarHBondContact O-N 3.15Å; G57-H59 VanDerWaalsContact O-N 3.15Å |
| 58 | K | 46.2 | Very low | 45.9 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -69 | -4.8 | -175.5 | -73.7 | -173.1 | 178.9 | -178.2 | 0 | 114.7 | | |
| 59 | H | 44.8 | Very low | 46.8 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 70% | 0.704 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -124.9 | 118.2 | -178.4 | -65.3 | 91.6 | 0 | 0 | 0 | 109.1 | G57 V61 | G57-H59 PolarHBondContact O-N 3.15Å; G57-H59 VanDerWaalsContact O-N 3.15Å; H59-V61 PolarHBondContact O-N 3.06Å |
| 60 | Q | 44.1 | Very low | 47.1 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 71% | 0.71 | 70% | 0.702 | S | S | * | * | | | trans | -74.9 | 116.9 | 174.6 | -69.5 | -178.9 | 6.5 | 0 | 0 | 109 | Q55 | Q55-Q60 HydrophobicContact CG-CG 4.27Š|
| 61 | V | 45.3 | Very low | 47.5 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | | | trans | -105.8 | 102.5 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | H59 K63 | H59-V61 PolarHBondContact O-N 3.06Å; V61-K63 PolarHBondContact O-N 3.14Å; V61-K63 VanDerWaalsContact O-N 3.16Å |
| 62 | A | 50.5 | Low | 48.1 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 60% | 0.603 | 72% | 0.721 | S | S | * | * | | | trans | -72.9 | 105.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | T52 A64 | T52-A62 HydrophobicContact CG2-CB 4Å; A62-A64 PolarHBondContact O-N 3.09Å |
| 63 | K | 41.5 | Very low | 48.8 | Very low | 194 Ų | 194 | 126 Ų | 126 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | | | trans | -83.5 | 99.3 | 172.5 | -162.4 | 178.2 | -175.4 | -179.5 | 0 | 108.8 | V61 | V61-K63 PolarHBondContact O-N 3.14Å; V61-K63 VanDerWaalsContact O-N 3.16Å |
| 64 | A | 49 | Very low | 48.9 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | | | trans | -82.6 | 115.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A62 | A62-A64 PolarHBondContact O-N 3.09Š|
| 65 | T | 45.8 | Very low | 49.8 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 117.3 | 162.9 | 22.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 66 | V | 50.3 | Low | 50.1 | Low | 136 Ų | 136 | 126.3 Ų | 126.3 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 120.8 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 67 | H | 49.2 | Very low | 50.7 | Low | 156 Ų | 156 | 124.7 Ų | 124.7 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 140.9 | 170.2 | -65.9 | -80.8 | 0 | 0 | 0 | 110.2 | | |
| 68 | P | 52.4 | Low | 50.8 | Low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.5 | 176.9 | 28.1 | -33.1 | 0 | 0 | 0 | 110.6 | | |
| 69 | P | 64.8 | Low | 50.8 | Low | 92 Ų | 92 | 126.6 Ų | 126.6 | 60% | 0.597 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 142.9 | 177.6 | 25 | -31.6 | 0 | 0 | 0 | 111.4 | A73 | P69-A73 HydrophobicContact CB-CB 3.54Š|
| 70 | G | 55.1 | Low | 50.9 | Low | 46 Ų | 46 | 125.8 Ų | 125.8 | 47% | 0.474 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 169.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D72 A73 | G70-D72 PolarHBondContact O-N 3.16Å; G70-D72 VanDerWaalsContact O-N 3.14Å; G70-A73 WeakPolarHBondContact O-CB 3.21Å; G70-A73 PolarHBondContact O-N 3.27Å |
| 71 | P | 52.3 | Low | 51.3 | Low | 132 Ų | 132 | 124 Ų | 124 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -28.2 | -171.8 | 23.7 | -33.6 | 0 | 0 | 0 | 114 | | |
| 72 | D | 54.1 | Low | 51.4 | Low | 152 Ų | 152 | 124.8 Ų | 124.8 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 7.8 | -179.3 | -53.9 | -51.4 | 0 | 0 | 0 | 113.4 | G70 L74 | G70-D72 PolarHBondContact O-N 3.16Å; G70-D72 VanDerWaalsContact O-N 3.14Å; D72-L74 PolarHBondContact O-N 3.48Å |
| 73 | A | 57.1 | Low | 51.2 | Low | 48 Ų | 48 | 129.8 Ų | 129.8 | 40% | 0.397 | 74% | 0.737 | S | S | . | * | | | trans | -74 | 101.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | P69 G70 L75 | P69-A73 HydrophobicContact CB-CB 3.54Å; G70-A73 WeakPolarHBondContact O-CB 3.21Å; G70-A73 PolarHBondContact O-N 3.27Å; A73-L75 PolarHBondContact O-N 2.72Å |
| 74 | L | 48.1 | Very low | 51.2 | Low | 159 Ų | 159 | 126.6 Ų | 126.6 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | trans | -69.8 | 109.4 | 168.3 | -65.3 | 174.4 | 0 | 0 | 0 | 109.5 | D72 L76 | D72-L74 PolarHBondContact O-N 3.48Å; L74-L76 VanDerWaalsContact O-N 3.14Å; L74-L76 PolarHBondContact O-N 3.4Å |
| 75 | L | 57.8 | Low | 51.2 | Low | 125 Ų | 125 | 128.2 Ų | 128.2 | 65% | 0.654 | 74% | 0.743 | S | S | * | * | | | trans | -72.6 | 101.7 | 174.2 | -66.7 | 170.7 | 0 | 0 | 0 | 109.6 | A73 N77 | A73-L75 PolarHBondContact O-N 2.72Å; L75-N77 PolarHBondContact O-N 3.23Å; L75-N77 VanDerWaalsContact O-N 3.09Å |
| 76 | L | 53.1 | Low | 51.1 | Low | 158 Ų | 158 | 128.2 Ų | 128.2 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | -71.1 | 5.8 | 179.1 | -81 | 158.7 | 0 | 0 | 0 | 114.9 | L74 | L74-L76 VanDerWaalsContact O-N 3.14Å; L74-L76 PolarHBondContact O-N 3.4Å |
| 77 | N | 53.5 | Low | 50.9 | Low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | | | trans | -116.2 | 40.5 | -175.2 | -72.1 | -26.4 | 0 | 0 | 0 | 113.6 | L75 V79 | L75-N77 PolarHBondContact O-N 3.23Å; L75-N77 VanDerWaalsContact O-N 3.09Å; N77-V79 VanDerWaalsContact C-N 3.34Å |
| 78 | Q | 51.5 | Low | 50.6 | Low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -104.8 | 54.3 | 156.4 | -65.2 | -163 | 73 | 0 | 0 | 109.3 | D80 | Q78-D80 PolarHBondContact O-N 3.03Š|
| 79 | V | 46.5 | Very low | 50.3 | Low | 116 Ų | 116 | 133.7 Ų | 133.7 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | | | trans | -71.5 | 108.2 | 150.6 | -174.8 | 0 | 0 | 0 | 0 | 103.7 | N77 | N77-V79 VanDerWaalsContact C-N 3.34Š|
| 80 | D | 48.2 | Very low | 49.1 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -40.5 | 130.2 | 169.7 | -111.7 | -36.7 | 0 | 0 | 0 | 107.9 | Q78 V82 | Q78-D80 PolarHBondContact O-N 3.03Å; D80-V82 VanDerWaalsContact C-N 3.26Å; D80-V82 PolarHBondContact O-N 3.14Å |
| 81 | P | 51.1 | Low | 48.5 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -57.6 | 103.2 | 169.3 | 24 | -29.9 | 0 | 0 | 0 | 105.8 | Q83 | P81-Q83 PolarHBondContact O-N 3.31Š|
| 82 | V | 48.9 | Very low | 48.1 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | trans | -51.7 | 112.9 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 105 | D80 C84 | D80-V82 VanDerWaalsContact C-N 3.26Å; D80-V82 PolarHBondContact O-N 3.14Å; V82-C84 PolarHBondContact O-N 3.18Å |
| 83 | Q | 45.5 | Very low | 47.8 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -36.1 | 131.5 | -174.9 | -83.9 | 163.5 | -31.3 | 0 | 0 | 111 | P81 C85 | P81-Q83 PolarHBondContact O-N 3.31Å; Q83-C85 PolarHBondContact O-N 2.84Å |
| 84 | C | 42.2 | Very low | 47.3 | Very low | 127 Ų | 127 | 159.5 Ų | 159.5 | 86% | 0.858 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -29.2 | 126.3 | 154.4 | -77.7 | 0 | 0 | 0 | 0 | 109.9 | V82 | V82-C84 PolarHBondContact O-N 3.18Š|
| 85 | C | 48.8 | Very low | 47.2 | Very low | 121 Ų | 121 | 159.5 Ų | 159.5 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -37.6 | 138.3 | 179.7 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | Q83 T87 | Q83-C85 PolarHBondContact O-N 2.84Å; C85-T87 PolarHBondContact O-N 3.35Å |
| 86 | P | 42.7 | Very low | 46.6 | Very low | 121 Ų | 121 | 161.5 Ų | 161.5 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | | | trans | -59.4 | 132.5 | -170.3 | 23.4 | -33.3 | 0 | 0 | 0 | 111.2 | R88 | P86-R88 PolarHBondContact O-N 2.75Å; P86-R88 VanDerWaalsContact O-N 3.08Å |
| 87 | T | 46.1 | Very low | 46.2 | Very low | 123 Ų | 123 | 161.8 Ų | 161.8 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | | | trans | -36 | 115.3 | 157.1 | -47.3 | 0 | 0 | 0 | 0 | 108.5 | C85 L89 | C85-T87 PolarHBondContact O-N 3.35Å; T87-L89 PolarHBondContact O-N 3.08Å |
| 88 | R | 44 | Very low | 45.7 | Very low | 243 Ų | 243 | 162.4 Ų | 162.4 | 92% | 0.917 | 84% | 0.84 | S | S | * | * | | | trans | -66.9 | 81.5 | 169.3 | -72.1 | -167.7 | -169.6 | -151.3 | 4.4 | 108.2 | P86 R90 | P86-R88 PolarHBondContact O-N 2.75Å; P86-R88 VanDerWaalsContact O-N 3.08Å; R88-R90 PolarHBondContact O-N 3.18Å |
| 89 | L | 46.2 | Very low | 45.3 | Very low | 154 Ų | 154 | 161.4 Ų | 161.4 | 81% | 0.806 | 84% | 0.842 | S | S | * | * | | | trans | -76.1 | 87.5 | 151.7 | -87.6 | 165.3 | 0 | 0 | 0 | 106.8 | T87 | T87-L89 PolarHBondContact O-N 3.08Š|
| 90 | R | 39 | Very low | 45.2 | Very low | 237 Ų | 237 | 164.9 Ų | 164.9 | 89% | 0.894 | 85% | 0.852 | S | S | * | * | | | trans | -124.1 | 112.5 | 146 | -78.5 | -145.6 | 176.4 | -164.5 | 1 | 108.7 | R88 Q92 | R88-R90 PolarHBondContact O-N 3.18Å; R90-Q92 PolarHBondContact O-N 3.43Å |
| 91 | Q | 42.6 | Very low | 44.9 | Very low | 185 Ų | 185 | 167.4 Ų | 167.4 | 86% | 0.864 | 86% | 0.863 | S | S | * | * | | | trans | -47.1 | 123.1 | 156.3 | -63.3 | 176 | -7.4 | 0 | 0 | 109.2 | | |
| 92 | Q | 42.2 | Very low | 44.4 | Very low | 270 Ų | 270 | 172.1 Ų | 172.1 | 100% | 1.262 | 87% | 0.873 | S | S | * | * | | | trans | -166.1 | 0 | 133.9 | -101.8 | 176.3 | 15.2 | 0 | 0 | 107.9 | R90 | R90-Q92 PolarHBondContact O-N 3.43Š|