| 1 | M | 66.2 | Low | 67.1 | Low | 233 Ų | 233 | 125.1 Ų | 125.1 | 100% | 1.148 | 69% | 0.69 | S | S | * | * | | | | 0 | 121.1 | 0 | -63.3 | 167.2 | -163.2 | 0 | 0 | 107.1 | | |
| 2 | S | 69.8 | Low | 66.4 | Low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | | | trans | -88.8 | 107.6 | -172.2 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | R4 | S2-R4 PolarHBondContact O-N 3.19Š|
| 3 | N | 72.1 | Confident | 66 | Low | 154 Ų | 154 | 119.6 Ų | 119.6 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | | | trans | -88.4 | 49.7 | 174.5 | -70.4 | 13.3 | 0 | 0 | 0 | 111.6 | P5 | N3-P5 WeakPolarHBondContact O-CD 3.41Š|
| 4 | R | 77.6 | Confident | 66 | Low | 217 Ų | 217 | 125.4 Ų | 125.4 | 82% | 0.819 | 67% | 0.673 | S | S | * | * | | | trans | -82.3 | 120.8 | 177.1 | -79.6 | -177.4 | -178.7 | 156.7 | 0.5 | 109.6 | S2 N6 | S2-R4 PolarHBondContact O-N 3.19Å; R4-N6 PolarHBondContact O-N 3.24Å |
| 5 | P | 71.6 | Confident | 65.7 | Low | 105 Ų | 105 | 128.1 Ų | 128.1 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | | | trans | -64.1 | 122.5 | 174.1 | 25.1 | -31.1 | 0 | 0 | 0 | 109.5 | N3 N7 | N3-P5 WeakPolarHBondContact O-CD 3.41Å; P5-N7 VanDerWaalsContact C-N 3.31Å; P5-N7 PolarHBondContact O-N 2.99Å |
| 6 | N | 69.4 | Low | 65.4 | Low | 146 Ų | 146 | 126.9 Ų | 126.9 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | | | trans | -75.5 | 83 | 174.9 | 175.3 | 19.1 | 0 | 0 | 0 | 109.5 | R4 | R4-N6 PolarHBondContact O-N 3.24Š|
| 7 | N | 67.2 | Low | 65.5 | Low | 137 Ų | 137 | 127.4 Ų | 127.4 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | | | trans | -91.3 | 101.7 | 165.2 | -71.2 | -52.7 | 0 | 0 | 0 | 107 | P5 P9 | P5-N7 VanDerWaalsContact C-N 3.31Å; P5-N7 PolarHBondContact O-N 2.99Å; N7-P9 WeakPolarHBondContact O-CD 3.19Å |
| 8 | N | 62.7 | Low | 65.7 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | | | trans | -89.1 | 95.4 | 170.9 | -174.5 | 6.1 | 0 | 0 | 0 | 108.7 | G10 | N8-G10 PolarHBondContact O-N 3.35Å; N8-G10 PolarHBondContact OD1-N 3.2Å |
| 9 | P | 57.4 | Low | 65.6 | Low | 108 Ų | 108 | 131.8 Ų | 131.8 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -6.1 | -174.9 | 33.3 | -27.3 | 0 | 0 | 0 | 111.5 | N7 | N7-P9 WeakPolarHBondContact O-CD 3.19Š|
| 10 | G | 62.9 | Low | 65.3 | Low | 31 Ų | 31 | 130.6 Ų | 130.6 | 32% | 0.32 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | -8.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N8 R14 | N8-G10 PolarHBondContact O-N 3.35Å; N8-G10 PolarHBondContact OD1-N 3.2Å; G10-R14 WeakPolarHBondContact O-CD 3.39Å; G10-R14 WeakPolarHBondContact O-CG 3.5Å |
| 11 | G | 61.1 | Low | 65 | Low | 19 Ų | 19 | 128.9 Ų | 128.9 | 20% | 0.196 | 69% | 0.686 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -94.5 | -36 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R15 | G11-R15 PolarHBondContact O-NH1 3.17Å; G11-R15 PolarHBondContact O-NH2 3.13Å |
| 12 | S | 58.3 | Low | 64.6 | Low | 80 Ų | 80 | 121 Ų | 121 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -35.4 | -176.7 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | S16 | S12-S16 WeakPolarHBondContact O-CB 3.44Å; S12-S16 PolarHBondContact O-N 3.39Å; S12-S16 VanDerWaalsContact O-N 3.08Å; S12-S16 PolarHBondContact O-OG 3.23Å; S12-S16 VanDerWaalsContact O-OG 3.09Å |
| 13 | L | 61.4 | Low | 64 | Low | 99 Ų | 99 | 119.2 Ų | 119.2 | 52% | 0.518 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.1 | -44.6 | -176.4 | -163.9 | 65.1 | 0 | 0 | 0 | 112.2 | R15 Q17 | L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.09Å; L13-Q17 HydrophobicContact CD1-CG 4.26Å; L13-Q17 VanDerWaalsContact CD1-NE2 3.31Å; L13-Q17 HydrophobicContact CG-CG 4.49Å; L13-Q17 VanDerWaalsContact O-CB 3.29Å; L13-Q17 WeakPolarHBondContact O-CB 3.27Å; L13-Q17 VanDerWaalsContact O-CG 3.27Å; L13-Q17 WeakPolarHBondContact O-CG 3.29Å; L13-Q17 PolarHBondContact O-N 3.08Å; L13-Q17 VanDerWaalsContact O-N 3.13Å |
| 14 | R | 65.8 | Low | 63.1 | Low | 200 Ų | 200 | 119.4 Ų | 119.4 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.7 | -32 | -179.6 | -67.1 | -177 | -177.5 | -98.7 | 1.5 | 113.1 | G10 | G10-R14 WeakPolarHBondContact O-CD 3.39Å; G10-R14 WeakPolarHBondContact O-CG 3.5Å |
| 15 | R | 61.8 | Low | 62.3 | Low | 167 Ų | 167 | 113.8 Ų | 113.8 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.5 | -43.7 | 178.6 | -74.1 | -165.6 | -65.8 | -90.9 | 0.7 | 112.4 | G11 L13 Q17 R18 | G11-R15 PolarHBondContact O-NH1 3.17Å; G11-R15 PolarHBondContact O-NH2 3.13Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.09Å; R15-Q17 PolarHBondContact O-N 3.33Å; R15-R18 PolarHBondContact O-N 3.42Å |
| 16 | S | 61.6 | Low | 61.5 | Low | 109 Ų | 109 | 117.3 Ų | 117.3 | 76% | 0.762 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.1 | -14.2 | -179.8 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | S12 | S12-S16 WeakPolarHBondContact O-CB 3.44Å; S12-S16 PolarHBondContact O-N 3.39Å; S12-S16 VanDerWaalsContact O-N 3.08Å; S12-S16 PolarHBondContact O-OG 3.23Å; S12-S16 VanDerWaalsContact O-OG 3.09Å |
| 17 | Q | 66.6 | Low | 60.5 | Low | 135 Ų | 135 | 116.5 Ų | 116.5 | 63% | 0.631 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 5.4 | 178.5 | -67.1 | -177 | -20 | 0 | 0 | 114.8 | L13 R15 N19 | L13-Q17 HydrophobicContact CD1-CG 4.26Å; L13-Q17 VanDerWaalsContact CD1-NE2 3.31Å; L13-Q17 HydrophobicContact CG-CG 4.49Å; L13-Q17 VanDerWaalsContact O-CB 3.29Å; L13-Q17 WeakPolarHBondContact O-CB 3.27Å; L13-Q17 VanDerWaalsContact O-CG 3.27Å; L13-Q17 WeakPolarHBondContact O-CG 3.29Å; L13-Q17 PolarHBondContact O-N 3.08Å; L13-Q17 VanDerWaalsContact O-N 3.13Å; R15-Q17 PolarHBondContact O-N 3.33Å; Q17-N19 VanDerWaalsContact C-N 3.33Å; Q17-N19 PolarHBondContact O-N 3.42Å |
| 18 | R | 68.9 | Low | 59.7 | Low | 185 Ų | 185 | 117.6 Ų | 117.6 | 70% | 0.698 | 65% | 0.653 | S | S | * | * | | | trans | -73.1 | 93.9 | 169.6 | -86.1 | -171.1 | -69.8 | 158.8 | 0.9 | 109 | R15 | R15-R18 PolarHBondContact O-N 3.42Š|
| 19 | N | 64.9 | Low | 59 | Low | 153 Ų | 153 | 116.9 Ų | 116.9 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | | | trans | -75.5 | 114.2 | 152.7 | -117.9 | -47.2 | 0 | 0 | 0 | 106.5 | Q17 A21 | Q17-N19 VanDerWaalsContact C-N 3.33Å; Q17-N19 PolarHBondContact O-N 3.42Å; N19-A21 PolarHBondContact O-N 3.29Å |
| 20 | T | 58.2 | Low | 58.7 | Low | 107 Ų | 107 | 119.6 Ų | 119.6 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | | | trans | -75.8 | 68.1 | 168 | -53.8 | 0 | 0 | 0 | 0 | 108.1 | G22 A23 | T20-G22 PolarHBondContact O-N 2.63Å; T20-A23 HydrophobicContact CG2-CB 3.35Å |
| 21 | A | 59.5 | Low | 58.1 | Low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 98.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | N19 | N19-A21 PolarHBondContact O-N 3.29Š|
| 22 | G | 58.4 | Low | 57.5 | Low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.4 | 41.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T20 Q24 | T20-G22 PolarHBondContact O-N 2.63Å; G22-Q24 PolarHBondContact O-N 2.68Å |
| 23 | A | 56.9 | Low | 57.8 | Low | 72 Ų | 72 | 132 Ų | 132 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | | | trans | -60.7 | 96.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 105 | T20 | T20-A23 HydrophobicContact CG2-CB 3.35Š|
| 24 | Q | 53.7 | Low | 57 | Low | 158 Ų | 158 | 132.6 Ų | 132.6 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | trans | -43 | 130.1 | 158 | -61.5 | -107.9 | -109.9 | 0 | 0 | 104.9 | G22 Q26 | G22-Q24 PolarHBondContact O-N 2.68Å; Q24-Q26 PolarHBondContact O-N 2.87Å |
| 25 | P | 59.4 | Low | 56.4 | Low | 98 Ų | 98 | 129.2 Ų | 129.2 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -47.7 | 119.3 | 159.2 | 21.6 | -28.1 | 0 | 0 | 0 | 103.6 | D27 | P25-D27 PolarHBondContact O-N 3.02Š|
| 26 | Q | 54.5 | Low | 56 | Low | 180 Ų | 180 | 126.5 Ų | 126.5 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | | | trans | -64.3 | 89.8 | 170.2 | -71.8 | -175.5 | -89.9 | 0 | 0 | 102.4 | Q24 D28 | Q24-Q26 PolarHBondContact O-N 2.87Å; Q26-D28 PolarHBondContact O-N 3.28Å |
| 27 | D | 48.8 | Very low | 55.7 | Low | 129 Ų | 129 | 127.1 Ų | 127.1 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | | | trans | -49.1 | 118.4 | 161.3 | -74.2 | -68.5 | 0 | 0 | 0 | 103.4 | P25 S29 | P25-D27 PolarHBondContact O-N 3.02Å; D27-S29 PolarHBondContact O-N 2.82Å |
| 28 | D | 51.7 | Low | 54.8 | Low | 159 Ų | 159 | 126.3 Ų | 126.3 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -63.4 | 65.8 | -179.5 | -73.2 | -66 | 0 | 0 | 0 | 109.8 | Q26 | Q26-D28 PolarHBondContact O-N 3.28Š|
| 29 | S | 47.9 | Very low | 54.3 | Low | 103 Ų | 103 | 123.6 Ų | 123.6 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -116.3 | 76.8 | 171.4 | -66.4 | 0 | 0 | 0 | 0 | 105.2 | D27 G31 | D27-S29 PolarHBondContact O-N 2.82Å; S29-G31 PolarHBondContact O-N 2.88Å |
| 30 | I | 51 | Low | 54 | Low | 164 Ų | 164 | 119.8 Ų | 119.8 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | | | trans | -32.2 | 120.2 | 159.3 | -61.8 | -67.7 | 0 | 0 | 0 | 108.8 | | |
| 31 | G | 49.3 | Very low | 53.9 | Low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 62.6 | 93.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S29 | S29-G31 PolarHBondContact O-N 2.88Š|
| 32 | G | 47.8 | Very low | 54 | Low | 71 Ų | 71 | 123.5 Ų | 123.5 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | trans | 68.8 | 118.5 | 133.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 33 | R | 64.7 | Low | 54.2 | Low | 251 Ų | 251 | 125.6 Ų | 125.6 | 95% | 0.947 | 77% | 0.769 | S | S | * | * | | | trans | 57.5 | 98.1 | 146.7 | -57 | 177 | 169 | -145.9 | -3.7 | 115.6 | | |
| 34 | S | 44.8 | Very low | 54.5 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -152.9 | 114.2 | 132.3 | -161.8 | 0 | 0 | 0 | 0 | 110.4 | S36 | S34-S36 PolarHBondContact O-N 2.93Š|
| 35 | C | 54 | Low | 54.4 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | | | trans | -66.5 | 118.3 | 161.5 | -58.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 36 | S | 53.1 | Low | 54.5 | Low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -155.5 | 115.8 | 157.7 | -78.3 | 0 | 0 | 0 | 0 | 109.2 | S34 | S34-S36 PolarHBondContact O-N 2.93Š|
| 37 | S | 54.7 | Low | 55.1 | Low | 122 Ų | 122 | 128.4 Ų | 128.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -41.7 | 136.1 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 38 | S | 47.7 | Very low | 55.6 | Low | 117 Ų | 117 | 127.2 Ų | 127.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -142.9 | 113.7 | 148.1 | -83 | 0 | 0 | 0 | 0 | 108.4 | A40 | S38-A40 PolarHBondContact O-N 3.01Š|
| 39 | S | 59.1 | Low | 55.9 | Low | 128 Ų | 128 | 125 Ų | 125 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | | | trans | -63.5 | 96.2 | 178 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 40 | A | 58.4 | Low | 56.2 | Low | 74 Ų | 74 | 127 Ų | 127 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | | | trans | -108.6 | 110.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | S38 I42 | S38-A40 PolarHBondContact O-N 3.01Å; A40-I42 PolarHBondContact O-N 3.32Å |
| 41 | V | 55.8 | Low | 56.5 | Low | 135 Ų | 135 | 129.3 Ų | 129.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -58.2 | 103.8 | 167.3 | 171.2 | 0 | 0 | 0 | 0 | 106.9 | V43 | V41-V43 HydrophobicContact CG1-CG2 4.21Å; V41-V43 PolarHBondContact O-N 2.95Å; V41-V43 VanDerWaalsContact O-N 3.09Å |
| 42 | I | 61.6 | Low | 56.9 | Low | 146 Ų | 146 | 130.4 Ų | 130.4 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | -75.2 | 98 | 172.8 | -56.6 | -71.7 | 0 | 0 | 0 | 106.4 | A40 P44 | A40-I42 PolarHBondContact O-N 3.32Å; I42-P44 WeakPolarHBondContact O-CD 3.45Å |
| 43 | V | 62.8 | Low | 57.4 | Low | 111 Ų | 111 | 133 Ų | 133 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | | | trans | -71.2 | 120.7 | 163 | 179.2 | 0 | 0 | 0 | 0 | 106.5 | V41 Q45 | V41-V43 HydrophobicContact CG1-CG2 4.21Å; V41-V43 PolarHBondContact O-N 2.95Å; V41-V43 VanDerWaalsContact O-N 3.09Å; V43-Q45 PolarHBondContact O-N 3.39Å |
| 44 | P | 63.8 | Low | 57 | Low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | trans | -64.8 | 112.9 | 173 | 24.7 | -29.1 | 0 | 0 | 0 | 107.8 | I42 | I42-P44 WeakPolarHBondContact O-CD 3.45Š|
| 45 | Q | 51.1 | Low | 57.8 | Low | 167 Ų | 167 | 128.5 Ų | 128.5 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65 | 131 | 171.3 | -66.5 | -170.9 | 18.1 | 0 | 0 | 107.9 | V43 E47 | V43-Q45 PolarHBondContact O-N 3.39Å; Q45-E47 PolarHBondContact O-N 3.09Å |
| 46 | P | 62 | Low | 58.1 | Low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -63 | 120.5 | 177.7 | 23.9 | -30.3 | 0 | 0 | 0 | 109.1 | D48 | P46-D48 PolarHBondContact O-N 3.06Š|
| 47 | E | 67.9 | Low | 58.5 | Low | 164 Ų | 164 | 133.1 Ų | 133.1 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.1 | -179.6 | -65.9 | 122.8 | 119.2 | 0 | 0 | 111.2 | Q45 | Q45-E47 PolarHBondContact O-N 3.09Š|
| 48 | D | 59.2 | Low | 58.9 | Low | 104 Ų | 104 | 136.9 Ų | 136.9 | 56% | 0.556 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.9 | -178.3 | -168.5 | -55.1 | 0 | 0 | 0 | 111.4 | P46 D50 R51 | P46-D48 PolarHBondContact O-N 3.06Å; D48-D50 PolarHBondContact O-N 3.18Å; D48-D50 VanDerWaalsContact O-N 3.15Å; D48-D50 WeakPolarHBondContact OD1-CB 3.36Å; D48-D50 PolarHBondContact OD1-N 3.38Å; D48-R51 PolarHBondContact O-N 3.18Å |
| 49 | P | 57.3 | Low | 59.6 | Low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -63.9 | -14.5 | -177.8 | 25.8 | -33.5 | 0 | 0 | 0 | 114.3 | R51 A52 | P49-R51 PolarHBondContact O-N 3.48Å; P49-A52 WeakPolarHBondContact O-CB 3.47Å; P49-A52 PolarHBondContact O-N 3.33Å |
| 50 | D | 54.9 | Low | 59.5 | Low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -75.5 | -6.1 | 176.5 | -74.9 | -59.7 | 0 | 0 | 0 | 113.6 | D48 A52 | D48-D50 PolarHBondContact O-N 3.18Å; D48-D50 VanDerWaalsContact O-N 3.15Å; D48-D50 WeakPolarHBondContact OD1-CB 3.36Å; D48-D50 PolarHBondContact OD1-N 3.38Å; D50-A52 PolarHBondContact O-N 3.21Å |
| 51 | R | 55.5 | Low | 59.8 | Low | 213 Ų | 213 | 140 Ų | 140 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -72.6 | -9.7 | 171.7 | -162.2 | 175 | 174.2 | -168.7 | -1.2 | 112.9 | D48 P49 N53 | D48-R51 PolarHBondContact O-N 3.18Å; P49-R51 PolarHBondContact O-N 3.48Å; R51-N53 VanDerWaalsContact C-N 3.29Å; R51-N53 PolarHBondContact O-N 3.15Å |
| 52 | A | 57.8 | Low | 59.9 | Low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -86.2 | 40.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P49 D50 | P49-A52 WeakPolarHBondContact O-CB 3.47Å; P49-A52 PolarHBondContact O-N 3.33Å; D50-A52 PolarHBondContact O-N 3.21Å |
| 53 | N | 58.2 | Low | 59.7 | Low | 126 Ų | 126 | 141.5 Ų | 141.5 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | | | trans | -155.5 | 94 | 169.5 | -158.3 | -37.7 | 0 | 0 | 0 | 114.1 | R51 | R51-N53 VanDerWaalsContact C-N 3.29Å; R51-N53 PolarHBondContact O-N 3.15Å |
| 54 | T | 58.1 | Low | 59.6 | Low | 139 Ų | 139 | 141.8 Ų | 141.8 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -139.9 | 13.2 | 156.1 | 66 | 0 | 0 | 0 | 0 | 114 | E56 | T54-E56 PolarHBondContact O-N 3.29Š|
| 55 | S | 60 | Low | 59.2 | Low | 128 Ų | 128 | 150 Ų | 150 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -98.1 | 61.7 | 177.4 | -70 | 0 | 0 | 0 | 0 | 111 | | |
| 56 | E | 60.9 | Low | 59.6 | Low | 140 Ų | 140 | 149.1 Ų | 149.1 | 65% | 0.654 | 80% | 0.795 | S | S | * | * | | | trans | -114.7 | 122.7 | 162.5 | -155.5 | -140.7 | 128.4 | 0 | 0 | 110.3 | T54 | T54-E56 PolarHBondContact O-N 3.29Š|
| 57 | R | 61.5 | Low | 59.5 | Low | 197 Ų | 197 | 150.3 Ų | 150.3 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | 66.3 | 85 | 171.2 | -71.7 | 178.5 | -168.7 | -102 | -3.1 | 118 | | |
| 58 | Q | 62.6 | Low | 59.1 | Low | 201 Ų | 201 | 149.5 Ų | 149.5 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | trans | -91.1 | 86.6 | 134.9 | -68.6 | -165 | -48.6 | 0 | 0 | 109.4 | | |
| 59 | K | 63.6 | Low | 59.1 | Low | 182 Ų | 182 | 152.2 Ų | 152.2 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | -120.1 | 78 | 159.5 | -170.1 | 157 | -172.6 | -90.5 | 0 | 109.1 | G61 | K59-G61 PolarHBondContact O-N 2.89Š|
| 60 | T | 57.3 | Low | 59.2 | Low | 137 Ų | 137 | 154.8 Ų | 154.8 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | | | trans | -89 | 84.3 | 164.3 | -52.8 | 0 | 0 | 0 | 0 | 108 | | |
| 61 | G | 64.3 | Low | 59.4 | Low | 66 Ų | 66 | 155.3 Ų | 155.3 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | | | trans | -99.9 | 86.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | K59 | K59-G61 PolarHBondContact O-N 2.89Š|
| 62 | Q | 57.2 | Low | 59.7 | Low | 173 Ų | 173 | 151.2 Ų | 151.2 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | | | trans | -126.7 | 105.8 | 163.2 | -81.1 | -131.3 | 88 | 0 | 0 | 108.1 | | |
| 63 | V | 56.7 | Low | 59.9 | Low | 139 Ų | 139 | 155.8 Ų | 155.8 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | | | trans | -82.8 | 121 | 165.7 | 178 | 0 | 0 | 0 | 0 | 106.8 | | |
| 64 | P | 61 | Low | 60 | Low | 117 Ų | 117 | 158.3 Ų | 158.3 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | | | trans | -81.4 | 129.6 | 176.1 | -8.1 | 25.7 | 0 | 0 | 0 | 111.7 | | |
| 65 | K | 57.1 | Low | 60.2 | Low | 281 Ų | 281 | 160.1 Ų | 160.1 | 100% | 1.222 | 83% | 0.834 | S | S | * | * | | | trans | 37.7 | 0 | 161.8 | -60.9 | -169.1 | -177.2 | -178.7 | 0 | 119.2 | | |