| 1 | M | 42.1 | Very low | 58 | Low | 242 Ų | 242 | 129.1 Ų | 129.1 | 100% | 1.192 | 82% | 0.818 | S | S | * | * | | | | 0 | 131.8 | 0 | -67 | -169.5 | 84.4 | 0 | 0 | 109.2 | | |
| 2 | P | 69.2 | Low | 57.3 | Low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -97.2 | 153.1 | 176.8 | 37.4 | -30.6 | 0 | 0 | 0 | 112.5 | | |
| 3 | R | 66.6 | Low | 57.3 | Low | 223 Ų | 223 | 126.6 Ų | 126.6 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | | | trans | 91.2 | 91.2 | 158.6 | -49.8 | -169.8 | -176.6 | 130.3 | -0 | 118.5 | | |
| 4 | G | 62.3 | Low | 57.6 | Low | 81 Ų | 81 | 123.2 Ų | 123.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -112.4 | 86.7 | 138.1 | 0 | 0 | 0 | 0 | 0 | 109 | S6 | G4-S6 PolarHBondContact O-N 3.23Š|
| 5 | K | 64.2 | Low | 58 | Low | 187 Ų | 187 | 118.5 Ų | 118.5 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -75.2 | 98.3 | 169.9 | 34.2 | 163.4 | 170.7 | 178.8 | 0 | 107.6 | A7 | K5-A7 PolarHBondContact O-N 3.32Š|
| 6 | S | 58.8 | Low | 58.1 | Low | 117 Ų | 117 | 116.4 Ų | 116.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -64.2 | 108.7 | 156.9 | -63.4 | 0 | 0 | 0 | 0 | 105.9 | G4 S8 | G4-S6 PolarHBondContact O-N 3.23Å; S6-S8 PolarHBondContact O-N 3.3Å |
| 7 | A | 59.2 | Low | 58.4 | Low | 97 Ų | 97 | 111.8 Ų | 111.8 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | trans | -58 | 100 | 162.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | K5 G9 | K5-A7 PolarHBondContact O-N 3.32Å; A7-G9 PolarHBondContact O-N 3.19Å |
| 8 | S | 53.7 | Low | 58.6 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | trans | -60.1 | 99.1 | 163.1 | -173.7 | 0 | 0 | 0 | 0 | 104.5 | S6 G10 | S6-S8 PolarHBondContact O-N 3.3Å; S8-G10 PolarHBondContact O-N 3.41Å |
| 9 | G | 53.9 | Low | 59.1 | Low | 63 Ų | 63 | 108.6 Ų | 108.6 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | | | trans | -50.2 | 117 | 175.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | A7 S11 | A7-G9 PolarHBondContact O-N 3.19Å; G9-S11 VanDerWaalsContact C-N 3.3Å; G9-S11 PolarHBondContact O-N 3.33Å |
| 10 | G | 52.5 | Low | 59.5 | Low | 71 Ų | 71 | 112.7 Ų | 112.7 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | | | trans | -58 | 96.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S8 T12 | S8-G10 PolarHBondContact O-N 3.41Å; G10-T12 PolarHBondContact O-N 3.36Å |
| 11 | S | 56.1 | Low | 60.2 | Low | 113 Ų | 113 | 113.5 Ų | 113.5 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | | | trans | -72.2 | 88.7 | 148.1 | -167.5 | 0 | 0 | 0 | 0 | 104.1 | G9 A13 | G9-S11 VanDerWaalsContact C-N 3.3Å; G9-S11 PolarHBondContact O-N 3.33Å; S11-A13 PolarHBondContact O-N 3.49Å; S11-A13 VanDerWaalsContact O-N 3.15Å |
| 12 | T | 49.4 | Very low | 61.7 | Low | 111 Ų | 111 | 105.7 Ų | 105.7 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | | | trans | -35.3 | 125.5 | 161.6 | 41.1 | 0 | 0 | 0 | 0 | 107.4 | G10 A14 | G10-T12 PolarHBondContact O-N 3.36Å; T12-A14 PolarHBondContact O-N 3.13Å |
| 13 | A | 56.9 | Low | 62.4 | Low | 115 Ų | 115 | 103.3 Ų | 103.3 | 95% | 0.95 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -67 | 46.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S11 | S11-A13 PolarHBondContact O-N 3.49Å; S11-A13 VanDerWaalsContact O-N 3.15Å |
| 14 | A | 61 | Low | 63.1 | Low | 79 Ų | 79 | 96.8 Ų | 96.8 | 65% | 0.653 | 66% | 0.661 | S | S | * | * | | | trans | -91.1 | 92.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | T12 | T12-A14 PolarHBondContact O-N 3.13Š|
| 15 | G | 63.9 | Low | 63.9 | Low | 53 Ų | 53 | 96.1 Ų | 96.1 | 55% | 0.546 | 64% | 0.644 | S | S | . | * | | | trans | -49.6 | 159.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G17 | G15-G17 PolarHBondContact O-N 2.84Š|
| 16 | P | 59.8 | Low | 64.9 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | | | trans | -50 | 115.8 | 178.6 | -21.5 | 31.1 | 0 | 0 | 0 | 108.7 | R20 Q21 | P16-R20 HydrophobicContact CB-CB 4.22Å; P16-Q21 HydrophobicContact CB-CB 4.45Å |
| 17 | G | 63.6 | Low | 66.2 | Low | 38 Ų | 38 | 96.7 Ų | 96.7 | 39% | 0.392 | 63% | 0.627 | S | S | . | * | | | trans | -52.5 | 151.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G15 G19 R20 Q21 | G15-G17 PolarHBondContact O-N 2.84Å; G17-G19 PolarHBondContact O-N 3.01Å; G17-R20 PolarHBondContact O-N 3.02Å; G17-Q21 PolarHBondContact O-N 2.98Å |
| 18 | P | 61 | Low | 67.3 | Low | 111 Ų | 111 | 99 Ų | 99 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -45.7 | -38.4 | -167.2 | -30.9 | 33.8 | 0 | 0 | 0 | 114.7 | T22 | P18-T22 VanDerWaalsContact O-OG1 3.13Å; P18-T22 PolarHBondContact O-OG1 3.03Å; P18-T22 PolarHBondContact O-N 3.2Å |
| 19 | G | 67.9 | Low | 68.1 | Low | 51 Ų | 51 | 104.5 Ų | 104.5 | 53% | 0.526 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.8 | -32.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G17 V23 | G17-G19 PolarHBondContact O-N 3.01Å; G19-V23 WeakPolarHBondContact O-CG2 3.5Å; G19-V23 PolarHBondContact O-N 3.38Å |
| 20 | R | 67.1 | Low | 68.9 | Low | 191 Ų | 191 | 105.9 Ų | 105.9 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.7 | -33.5 | 178.2 | -70.3 | -175 | 178.1 | -99.1 | 1.3 | 111.4 | P16 G17 V23 L24 | P16-R20 HydrophobicContact CB-CB 4.22Å; G17-R20 PolarHBondContact O-N 3.02Å; R20-V23 PolarHBondContact O-N 3.45Å; R20-L24 WeakPolarHBondContact O-CG 3.27Å; R20-L24 PolarHBondContact O-N 3.45Å |
| 21 | Q | 74.3 | Confident | 69.7 | Low | 129 Ų | 129 | 108.2 Ų | 108.2 | 60% | 0.603 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.5 | -43.2 | 175.9 | -166.7 | 176.8 | 24 | 0 | 0 | 111.7 | P16 G17 V23 L24 S25 | P16-Q21 HydrophobicContact CB-CB 4.45Å; G17-Q21 PolarHBondContact O-N 2.98Å; Q21-V23 VanDerWaalsContact C-N 3.31Å; Q21-V23 PolarHBondContact O-N 3.07Å; Q21-L24 PolarHBondContact O-N 2.93Å; Q21-S25 PolarHBondContact O-N 2.91Å; Q21-S25 PolarHBondContact O-OG 3.31Å |
| 22 | T | 75.1 | Confident | 69.9 | Low | 78 Ų | 78 | 105.6 Ų | 105.6 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.3 | -33.5 | 177.6 | -49.8 | 0 | 0 | 0 | 0 | 113.2 | P18 S25 R26 | P18-T22 VanDerWaalsContact O-OG1 3.13Å; P18-T22 PolarHBondContact O-OG1 3.03Å; P18-T22 PolarHBondContact O-N 3.2Å; T22-S25 PolarHBondContact O-OG 3.39Å; T22-S25 VanDerWaalsContact O-OG 3.07Å; T22-R26 VanDerWaalsContact O-CZ 3.3Å; T22-R26 PolarHBondContact O-NE 2.88Å |
| 23 | V | 82.4 | Confident | 70.4 | Confident | 63 Ų | 63 | 104.9 Ų | 104.9 | 38% | 0.382 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.8 | -47 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | G19 R20 Q21 S25 R26 F27 | G19-V23 WeakPolarHBondContact O-CG2 3.5Å; G19-V23 PolarHBondContact O-N 3.38Å; R20-V23 PolarHBondContact O-N 3.45Å; Q21-V23 VanDerWaalsContact C-N 3.31Å; Q21-V23 PolarHBondContact O-N 3.07Å; V23-S25 PolarHBondContact O-N 3.42Å; V23-R26 PolarHBondContact O-N 2.91Å; V23-R26 WeakPolarHBondContact O-CB 3.44Å; V23-F27 HydrophobicContact CG1-CE2 4.11Å; V23-F27 VanDerWaalsContact O-CD2 3.27Å; V23-F27 WeakPolarHBondContact O-CD2 3.4Å |
| 24 | L | 81.3 | Confident | 70.6 | Confident | 86 Ų | 86 | 107.1 Ų | 107.1 | 45% | 0.45 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.1 | -29.8 | -174.4 | -65.8 | 172.8 | 0 | 0 | 0 | 112.8 | R20 Q21 R26 F27 F28 | R20-L24 WeakPolarHBondContact O-CG 3.27Å; R20-L24 PolarHBondContact O-N 3.45Å; Q21-L24 PolarHBondContact O-N 2.93Å; L24-R26 PolarHBondContact O-N 2.79Å; L24-R26 VanDerWaalsContact O-N 3.13Å; L24-F27 PolarHBondContact O-N 3.13Å; L24-F28 HydrophobicContact CB-CD2 4.46Å; L24-F28 HydrophobicContact CD2-CD2 4.28Å; L24-F28 HydrophobicContact CD2-CE2 4.18Å; L24-F28 PolarHBondContact O-N 3.39Å |
| 25 | S | 79.5 | Confident | 70.6 | Confident | 68 Ų | 68 | 115 Ų | 115 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -16.2 | 176.3 | 64 | 0 | 0 | 0 | 0 | 114 | Q21 T22 V23 | Q21-S25 PolarHBondContact O-N 2.91Å; Q21-S25 PolarHBondContact O-OG 3.31Å; T22-S25 PolarHBondContact O-OG 3.39Å; T22-S25 VanDerWaalsContact O-OG 3.07Å; V23-S25 PolarHBondContact O-N 3.42Å |
| 26 | R | 85.3 | Confident | 70 | Confident | 165 Ų | 165 | 117.5 Ų | 117.5 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -28.7 | 172.5 | -66.6 | 178.1 | -90.6 | -113.2 | 7.3 | 112.6 | T22 V23 L24 | T22-R26 VanDerWaalsContact O-CZ 3.3Å; T22-R26 PolarHBondContact O-NE 2.88Å; V23-R26 PolarHBondContact O-N 2.91Å; V23-R26 WeakPolarHBondContact O-CB 3.44Å; L24-R26 PolarHBondContact O-N 2.79Å; L24-R26 VanDerWaalsContact O-N 3.13Å |
| 27 | F | 86.4 | Confident | 69.9 | Low | 150 Ų | 150 | 119.3 Ų | 119.3 | 66% | 0.658 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -29.4 | -175.8 | -62.2 | -77 | 0 | 0 | 0 | 112.6 | V23 L24 | V23-F27 HydrophobicContact CG1-CE2 4.11Å; V23-F27 VanDerWaalsContact O-CD2 3.27Å; V23-F27 WeakPolarHBondContact O-CD2 3.4Å; L24-F27 PolarHBondContact O-N 3.13Å |
| 28 | F | 81.2 | Confident | 69.4 | Low | 146 Ų | 146 | 121.5 Ų | 121.5 | 64% | 0.64 | 67% | 0.672 | S | S | * | * | | | trans | -125.5 | 125.9 | -175.9 | -58.6 | -77 | 0 | 0 | 0 | 110.5 | L24 | L24-F28 HydrophobicContact CB-CD2 4.46Å; L24-F28 HydrophobicContact CD2-CD2 4.28Å; L24-F28 HydrophobicContact CD2-CE2 4.18Å; L24-F28 PolarHBondContact O-N 3.39Å |
| 29 | R | 72.2 | Confident | 68.9 | Low | 228 Ų | 228 | 120.8 Ų | 120.8 | 86% | 0.86 | 67% | 0.67 | S | S | * | * | | | trans | -82 | 121.4 | 167 | -170.4 | 68 | 60 | -165.7 | -2.2 | 108 | A31 | R29-A31 PolarHBondContact O-N 2.82Š|
| 30 | S | 70.8 | Confident | 68.2 | Low | 93 Ų | 93 | 123.3 Ų | 123.3 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | | | trans | -57.5 | 113.9 | 175.6 | -69.1 | 0 | 0 | 0 | 0 | 110.2 | G32 | S30-G32 PolarHBondContact O-N 2.93Š|
| 31 | A | 68.3 | Low | 67.2 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 98% | 0.983 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 12.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R29 | R29-A31 PolarHBondContact O-N 2.82Š|
| 32 | G | 61.6 | Low | 66 | Low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.7 | 49.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S30 L34 | S30-G32 PolarHBondContact O-N 2.93Å; G32-L34 PolarHBondContact O-N 2.84Å |
| 33 | S | 59.5 | Low | 64.9 | Low | 96 Ų | 96 | 122.1 Ų | 122.1 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | | | trans | -66.5 | 91.3 | 169.8 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | R35 | S33-R35 VanDerWaalsContact C-N 3.29Å; S33-R35 PolarHBondContact O-N 2.88Å |
| 34 | L | 60.2 | Low | 63.5 | Low | 162 Ų | 162 | 122.8 Ų | 122.8 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | | | trans | -67.7 | 92.1 | 169.9 | -68.9 | 170.8 | 0 | 0 | 0 | 107.5 | G32 S36 | G32-L34 PolarHBondContact O-N 2.84Å; L34-S36 PolarHBondContact O-N 2.93Å |
| 35 | R | 61 | Low | 61.9 | Low | 244 Ų | 244 | 127 Ų | 127 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | | | trans | 36.7 | 80 | 161.3 | -61.8 | -168.1 | -172.4 | -167 | 4.1 | 114.9 | S33 S37 | S33-R35 VanDerWaalsContact C-N 3.29Å; S33-R35 PolarHBondContact O-N 2.88Å; R35-S37 PolarHBondContact O-N 3.02Å |
| 36 | S | 51.4 | Low | 60.7 | Low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | | | trans | -88.7 | 94 | 148.3 | -68.6 | 0 | 0 | 0 | 0 | 107.6 | L34 A38 | L34-S36 PolarHBondContact O-N 2.93Å; S36-A38 PolarHBondContact O-N 2.85Å |
| 37 | S | 57.9 | Low | 59.3 | Low | 122 Ų | 122 | 130.1 Ų | 130.1 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | | | trans | -64.8 | 77.4 | 162.3 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | R35 | R35-S37 PolarHBondContact O-N 3.02Š|
| 38 | A | 53 | Low | 57.5 | Low | 85 Ų | 85 | 128.9 Ų | 128.9 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | -93.6 | 104.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 104.9 | S36 S40 | S36-A38 PolarHBondContact O-N 2.85Å; A38-S40 PolarHBondContact O-N 2.68Å |
| 39 | S | 51.5 | Low | 56 | Low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | -42.3 | 108.2 | 168.9 | 170.4 | 0 | 0 | 0 | 0 | 108.6 | T41 | S39-T41 PolarHBondContact O-N 2.77Š|
| 40 | S | 52.7 | Low | 55 | Low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -67.2 | 89.6 | 165.3 | -175.5 | 0 | 0 | 0 | 0 | 105.9 | A38 E42 | A38-S40 PolarHBondContact O-N 2.68Å; S40-E42 PolarHBondContact O-N 3.41Å |
| 41 | T | 46.4 | Very low | 54.1 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | | | trans | -68.5 | 91.4 | 160.7 | -60.1 | 0 | 0 | 0 | 0 | 105.8 | S39 P43 | S39-T41 PolarHBondContact O-N 2.77Å; T41-P43 VanDerWaalsContact O-CD 3.22Å; T41-P43 WeakPolarHBondContact O-CD 3.34Å |
| 42 | E | 49 | Very low | 53.5 | Low | 135 Ų | 135 | 129.4 Ų | 129.4 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | | | trans | -43.3 | 132.6 | 155.2 | -90.8 | -84.6 | 131.8 | 0 | 0 | 109.1 | S40 A44 | S40-E42 PolarHBondContact O-N 3.41Å; E42-A44 WeakPolarHBondContact OE2-CA 3.41Å; E42-A44 PolarHBondContact OE2-N 3.43Å |
| 43 | P | 50.7 | Low | 53.5 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | | -113.9 | 97.9 | 127.2 | 31.4 | -29.3 | 0 | 0 | 0 | 109.3 | T41 | T41-P43 VanDerWaalsContact O-CD 3.22Å; T41-P43 WeakPolarHBondContact O-CD 3.34Å |
| 44 | A | 53.1 | Low | 53.1 | Low | 77 Ų | 77 | 130.4 Ų | 130.4 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | 13.6 | 115.4 | 140.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E42 K46 | E42-A44 WeakPolarHBondContact OE2-CA 3.41Å; E42-A44 PolarHBondContact OE2-N 3.43Å; A44-K46 PolarHBondContact O-N 3.06Å |
| 45 | E | 48 | Very low | 52.5 | Low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -30.6 | 123.2 | 166.1 | -54.4 | -171.2 | 121.5 | 0 | 0 | 113.8 | S47 | E45-S47 VanDerWaalsContact C-N 3.32Å; E45-S47 PolarHBondContact O-N 3.19Å |
| 46 | K | 55 | Low | 51.8 | Low | 206 Ų | 206 | 129.6 Ų | 129.6 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | -79.4 | 87.7 | 154.5 | -163.8 | 178.7 | -172.6 | -165.2 | 0 | 107.2 | A44 P48 | A44-K46 PolarHBondContact O-N 3.06Å; K46-P48 WeakPolarHBondContact O-CD 3.22Å |
| 47 | S | 55.6 | Low | 51.8 | Low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | -71.8 | 126.9 | 169 | 61.1 | 0 | 0 | 0 | 0 | 109.2 | E45 D49 | E45-S47 VanDerWaalsContact C-N 3.32Å; E45-S47 PolarHBondContact O-N 3.19Å; S47-D49 PolarHBondContact O-N 3.02Å |
| 48 | P | 48.5 | Very low | 51.5 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | trans | -76.6 | 110 | 161.1 | 29.3 | -27.1 | 0 | 0 | 0 | 107.7 | K46 R50 | K46-P48 WeakPolarHBondContact O-CD 3.22Å; P48-R50 PolarHBondContact O-N 2.84Å |
| 49 | D | 49.5 | Very low | 51.4 | Low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -46.6 | 121.4 | 161.6 | -173.1 | 24.5 | 0 | 0 | 0 | 110.6 | S47 | S47-D49 PolarHBondContact O-N 3.02Š|
| 50 | R | 51.4 | Low | 51.4 | Low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | | | trans | -154.5 | 81.6 | 155.4 | -113.3 | -169.7 | -165.7 | -153.3 | 3.9 | 110.2 | P48 | P48-R50 PolarHBondContact O-N 2.84Š|
| 51 | S | 51.6 | Low | 51.4 | Low | 86 Ų | 86 | 138.1 Ų | 138.1 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | | | | 38.8 | 90.4 | 125.7 | -38.7 | 0 | 0 | 0 | 0 | 116 | S53 | S51-S53 PolarHBondContact O-N 3.15Š|
| 52 | S | 56.9 | Low | 51.7 | Low | 132 Ų | 132 | 139.5 Ų | 139.5 | 92% | 0.923 | 80% | 0.799 | S | S | * | * | | | trans | -69.5 | 102.6 | 155.8 | 169.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 53 | S | 60 | Low | 51.9 | Low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -129.7 | 124.8 | 168.4 | 60.6 | 0 | 0 | 0 | 0 | 109.9 | S51 | S51-S53 PolarHBondContact O-N 3.15Š|
| 54 | G | 50.7 | Low | 52 | Low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | 115.8 | 101.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 55 | E | 47.9 | Very low | 51.9 | Low | 182 Ų | 182 | 146.7 Ų | 146.7 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | | | | 87.8 | 100.6 | 80.1 | -172.9 | 179.4 | 135.5 | 0 | 0 | 111 | | |
| 56 | T | 47.7 | Very low | 52.2 | Low | 207 Ų | 207 | 144.2 Ų | 144.2 | 100% | 1.27 | 83% | 0.829 | S | S | * | * | | | | 174.2 | 0 | 113.6 | 44.6 | 0 | 0 | 0 | 0 | 109.1 | | |