| 1 | M | 56.9 | Low | 56.3 | Low | 247 Ų | 247 | 138.2 Ų | 138.2 | 100% | 1.217 | 83% | 0.825 | S | S | * | * | | | | 0 | 108.3 | 0 | -82.5 | 142.9 | 121.2 | 0 | 0 | 107.3 | | |
| 2 | S | 47.6 | Very low | 55.9 | Low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | | | trans | -57.5 | 152.8 | 170.1 | -38.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 3 | D | 57.6 | Low | 56.1 | Low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | | -153.5 | 145.6 | 51.4 | -71.4 | -48.1 | 0 | 0 | 0 | 113 | | |
| 4 | P | 59.4 | Low | 56.1 | Low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | -92.4 | 153.4 | 167.9 | 35.4 | -29.5 | 0 | 0 | 0 | 112.6 | | |
| 5 | A | 58.8 | Low | 56.1 | Low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | trans | -56.4 | 137.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 6 | V | 60.4 | Low | 55.9 | Low | 136 Ų | 136 | 140.4 Ų | 140.4 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | | | trans | -110.8 | 108.4 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 7 | P | 61 | Low | 55.9 | Low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | | | trans | -91.7 | 104.2 | 160.2 | -2.6 | 22.3 | 0 | 0 | 0 | 109.5 | | |
| 8 | L | 61.4 | Low | 55.8 | Low | 162 Ų | 162 | 137.8 Ų | 137.8 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -3.2 | 120.1 | 156.1 | -169.3 | 63.4 | 0 | 0 | 0 | 116.8 | K10 | L8-K10 PolarHBondContact O-N 3.27Š|
| 9 | G | 49.6 | Very low | 55.9 | Low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | -56.9 | 126.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 10 | K | 51.7 | Low | 56.1 | Low | 197 Ų | 197 | 135.1 Ų | 135.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -88.1 | 112.4 | 162.3 | -86.3 | -179.7 | 163.7 | 66.9 | 0 | 108.4 | L8 N12 | L8-K10 PolarHBondContact O-N 3.27Å; K10-N12 PolarHBondContact O-N 2.98Å |
| 11 | T | 55.4 | Low | 56.1 | Low | 119 Ų | 119 | 132.8 Ų | 132.8 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | | | trans | -70.6 | 120.7 | 171.5 | 43.4 | 0 | 0 | 0 | 0 | 109.5 | L13 | T11-L13 VanDerWaalsContact C-N 3.3Å; T11-L13 PolarHBondContact O-N 3.5Å |
| 12 | N | 50.8 | Low | 56.1 | Low | 167 Ų | 167 | 128.9 Ų | 128.9 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | | | trans | -73 | 80 | 173.5 | -74.1 | -73.3 | 0 | 0 | 0 | 110 | K10 S14 | K10-N12 PolarHBondContact O-N 2.98Å; N12-S14 PolarHBondContact O-N 3.34Å |
| 13 | L | 59.1 | Low | 56.5 | Low | 143 Ų | 143 | 127.8 Ų | 127.8 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | trans | -74.9 | 119.9 | 167.2 | -82.6 | 149.7 | 0 | 0 | 0 | 108.6 | T11 | T11-L13 VanDerWaalsContact C-N 3.3Å; T11-L13 PolarHBondContact O-N 3.5Å |
| 14 | S | 55.3 | Low | 56.6 | Low | 88 Ų | 88 | 123 Ų | 123 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | | | trans | -45.8 | 126.4 | -172.2 | 47.9 | 0 | 0 | 0 | 0 | 115 | N12 D16 | N12-S14 PolarHBondContact O-N 3.34Å; S14-D16 WeakPolarHBondContact CB-OD2 3.03Å; S14-D16 PolarHBondContact O-N 3.45Å |
| 15 | H | 56.3 | Low | 56.2 | Low | 192 Ų | 192 | 127.7 Ų | 127.7 | 89% | 0.889 | 74% | 0.736 | S | S | * | * | | | trans | -74.4 | 48.2 | 165.3 | -64.9 | -64.7 | 0 | 0 | 0 | 112.1 | G17 | H15-G17 PolarHBondContact O-N 3.36Š|
| 16 | D | 53.2 | Low | 55.9 | Low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -80.8 | 61.2 | 171.5 | -65.4 | -33 | 0 | 0 | 0 | 108.8 | S14 L18 | S14-D16 WeakPolarHBondContact CB-OD2 3.03Å; S14-D16 PolarHBondContact O-N 3.45Å; D16-L18 PolarHBondContact O-N 3.14Å |
| 17 | G | 56.1 | Low | 55.5 | Low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | | | trans | -62.9 | 106.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | H15 N19 | H15-G17 PolarHBondContact O-N 3.36Å; G17-N19 PolarHBondContact O-N 3.45Å |
| 18 | L | 54.5 | Low | 55 | Low | 168 Ų | 168 | 130.1 Ų | 130.1 | 88% | 0.88 | 71% | 0.707 | S | S | * | * | | | trans | -46.8 | 107 | 173.2 | -67 | 170.7 | 0 | 0 | 0 | 109.3 | D16 P20 | D16-L18 PolarHBondContact O-N 3.14Å; L18-P20 VanDerWaalsContact O-CD 3.23Å; L18-P20 WeakPolarHBondContact O-CD 3.34Å |
| 19 | N | 57.9 | Low | 54.8 | Low | 111 Ų | 111 | 128.8 Ų | 128.8 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | | | trans | -70 | 115.4 | 177.4 | -177.4 | -7.7 | 0 | 0 | 0 | 108.8 | G17 A21 H22 | G17-N19 PolarHBondContact O-N 3.45Å; N19-A21 PolarHBondContact O-N 2.94Å; N19-A21 WeakPolarHBondContact OD1-CB 3.45Å; N19-A21 PolarHBondContact OD1-N 3.4Å; N19-H22 PolarHBondContact O-N 3.12Å |
| 20 | P | 59.3 | Low | 54.8 | Low | 109 Ų | 109 | 128.7 Ų | 128.7 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -65.8 | -7 | 179.5 | 26.2 | -32.8 | 0 | 0 | 0 | 113.5 | L18 H22 | L18-P20 VanDerWaalsContact O-CD 3.23Å; L18-P20 WeakPolarHBondContact O-CD 3.34Å; P20-H22 PolarHBondContact O-N 3.22Å |
| 21 | A | 55.6 | Low | 55.1 | Low | 87 Ų | 87 | 124.8 Ų | 124.8 | 72% | 0.719 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -74.1 | -4.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N19 | N19-A21 PolarHBondContact O-N 2.94Å; N19-A21 WeakPolarHBondContact OD1-CB 3.45Å; N19-A21 PolarHBondContact OD1-N 3.4Å |
| 22 | H | 57.8 | Low | 55.2 | Low | 166 Ų | 166 | 124.7 Ų | 124.7 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -106.7 | 23.8 | 178.9 | -156.5 | -80.6 | 0 | 0 | 0 | 113.2 | N19 P20 P24 | N19-H22 PolarHBondContact O-N 3.12Å; P20-H22 PolarHBondContact O-N 3.22Å; H22-P24 VanDerWaalsContact O-CD 3.29Å; H22-P24 WeakPolarHBondContact O-CD 3.35Å |
| 23 | V | 55.5 | Low | 55.5 | Low | 79 Ų | 79 | 118.5 Ų | 118.5 | 48% | 0.479 | 64% | 0.644 | S | S | . | * | | | trans | -84.6 | 114.2 | 173.4 | -178 | 0 | 0 | 0 | 0 | 109.1 | W27 | V23-W27 HydrophobicContact CG1-CB 3.7Å; V23-W27 HydrophobicContact CG1-CG 3.75Å |
| 24 | P | 59.9 | Low | 55.5 | Low | 54 Ų | 54 | 112.9 Ų | 112.9 | 35% | 0.351 | 62% | 0.62 | S | S | . | * | | | trans | -64.8 | 141.5 | -179.7 | -22.2 | 35.5 | 0 | 0 | 0 | 112.2 | H22 W26 W27 | H22-P24 VanDerWaalsContact O-CD 3.29Å; H22-P24 WeakPolarHBondContact O-CD 3.35Å; P24-W26 HydrophobicContact CB-CG 4.17Å; P24-W26 PolarHBondContact O-N 2.95Å; P24-W27 WeakPolarHBondContact O-CB 3.11Å; P24-W27 PolarHBondContact O-N 3.13Å |
| 25 | Y | 50.5 | Low | 55.4 | Low | 213 Ų | 213 | 116.2 Ų | 116.2 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -15.3 | -176.8 | -127.1 | -91.7 | 0 | 0 | 0 | 115.1 | W27 | Y25-W27 VanDerWaalsContact C-N 3.33Š|
| 26 | W | 52.3 | Low | 55.2 | Low | 183 Ų | 183 | 113.2 Ų | 113.2 | 69% | 0.693 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -13.3 | 175.4 | 57.2 | -75.5 | 0 | 0 | 0 | 113.7 | P24 V28 | P24-W26 HydrophobicContact CB-CG 4.17Å; P24-W26 PolarHBondContact O-N 2.95Å; W26-V28 VanDerWaalsContact C-N 3.35Å |
| 27 | W | 51.6 | Low | 55.3 | Low | 111 Ų | 111 | 108.5 Ų | 108.5 | 42% | 0.42 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -73.6 | -25.4 | 177.6 | -165.6 | -90.6 | 0 | 0 | 0 | 113.3 | V23 P24 Y25 N29 L33 C37 | V23-W27 HydrophobicContact CG1-CB 3.7Å; V23-W27 HydrophobicContact CG1-CG 3.75Å; P24-W27 WeakPolarHBondContact O-CB 3.11Å; P24-W27 PolarHBondContact O-N 3.13Å; Y25-W27 VanDerWaalsContact C-N 3.33Å; W27-N29 PolarHBondContact O-N 2.93Å; W27-L33 HydrophobicContact CD2-CD2 4.1Å; W27-L33 HydrophobicContact CH2-CD1 4.03Å; W27-L33 HydrophobicContact CH2-CD2 3.67Å; W27-L33 HydrophobicContact CZ2-CD1 4.23Å; W27-L33 HydrophobicContact CZ2-CD2 3.04Å; W27-L33 HydrophobicContact CZ2-CG 4.25Å; W27-L33 HydrophobicContact CZ3-CD1 4.21Å; W27-L33 HydrophobicContact CZ3-CD2 4.4Å; W27-C37 PolarHBondContact NE1-SG 3.27Å |
| 28 | V | 51.8 | Low | 55.1 | Low | 110 Ų | 110 | 113.2 Ų | 113.2 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -76.6 | -9.8 | -171.6 | -157.5 | 0 | 0 | 0 | 0 | 112.8 | W26 | W26-V28 VanDerWaalsContact C-N 3.35Š|
| 29 | N | 55.8 | Low | 55.2 | Low | 133 Ų | 133 | 108.4 Ų | 108.4 | 71% | 0.711 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -111.9 | 9.4 | -173.5 | -58.7 | -58.4 | 0 | 0 | 0 | 114 | W27 P31 | W27-N29 PolarHBondContact O-N 2.93Å; N29-P31 VanDerWaalsContact O-CD 3.23Å; N29-P31 WeakPolarHBondContact O-CD 3.23Å |
| 30 | N | 50.9 | Low | 55.2 | Low | 70 Ų | 70 | 108.9 Ų | 108.9 | 37% | 0.374 | 57% | 0.574 | S | S | . | * | | | trans | -99.3 | 99.8 | 179.2 | -168.5 | -24.2 | 0 | 0 | 0 | 110.3 | T32 L33 G34 | N30-T32 PolarHBondContact O-N 3.37Å; N30-T32 VanDerWaalsContact OD1-CB 3.31Å; N30-T32 WeakPolarHBondContact OD1-CB 3.46Å; N30-T32 PolarHBondContact OD1-N 2.75Å; N30-T32 VanDerWaalsContact OD1-N 3.12Å; N30-T32 PolarHBondContact OD1-OG1 2.82Å; N30-L33 HydrophobicContact CB-CB 4.03Å; N30-L33 PolarHBondContact O-N 3.21Å; N30-G34 PolarHBondContact O-N 2.61Å |
| 31 | P | 57.4 | Low | 55.1 | Low | 114 Ų | 114 | 110.3 Ų | 110.3 | 74% | 0.74 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63 | -25.2 | -178.3 | 25.5 | -33.8 | 0 | 0 | 0 | 112.5 | N29 L33 | N29-P31 VanDerWaalsContact O-CD 3.23Å; N29-P31 WeakPolarHBondContact O-CD 3.23Å; P31-L33 PolarHBondContact O-N 3.17Å |
| 32 | T | 57.9 | Low | 55.1 | Low | 117 Ų | 117 | 109 Ų | 109 | 72% | 0.718 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73.5 | -11.9 | 176.6 | 3.1 | 0 | 0 | 0 | 0 | 114 | N30 | N30-T32 PolarHBondContact O-N 3.37Å; N30-T32 VanDerWaalsContact OD1-CB 3.31Å; N30-T32 WeakPolarHBondContact OD1-CB 3.46Å; N30-T32 PolarHBondContact OD1-N 2.75Å; N30-T32 VanDerWaalsContact OD1-N 3.12Å; N30-T32 PolarHBondContact OD1-OG1 2.82Å |
| 33 | L | 56.6 | Low | 54.9 | Low | 38 Ų | 38 | 112 Ų | 112 | 20% | 0.199 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -110.1 | -13.2 | -176.6 | -140.3 | 144.9 | 0 | 0 | 0 | 112.8 | W27 N30 P31 E35 F36 C37 | W27-L33 HydrophobicContact CD2-CD2 4.1Å; W27-L33 HydrophobicContact CH2-CD1 4.03Å; W27-L33 HydrophobicContact CH2-CD2 3.67Å; W27-L33 HydrophobicContact CZ2-CD1 4.23Å; W27-L33 HydrophobicContact CZ2-CD2 3.04Å; W27-L33 HydrophobicContact CZ2-CG 4.25Å; W27-L33 HydrophobicContact CZ3-CD1 4.21Å; W27-L33 HydrophobicContact CZ3-CD2 4.4Å; N30-L33 HydrophobicContact CB-CB 4.03Å; N30-L33 PolarHBondContact O-N 3.21Å; P31-L33 PolarHBondContact O-N 3.17Å; L33-E35 VanDerWaalsContact C-N 3.3Å; L33-E35 PolarHBondContact O-N 3.02Å; L33-F36 HydrophobicContact CD2-CB 4.39Å; L33-F36 HydrophobicContact CG-CB 4.38Å; L33-F36 WeakPolarHBondContact O-CB 3.41Å; L33-F36 PolarHBondContact O-N 3.2Å; L33-F36 VanDerWaalsContact O-N 3.08Å; L33-C37 PolarHBondContact O-N 3.39Å |
| 34 | G | 59.3 | Low | 54.6 | Low | 24 Ų | 24 | 111.4 Ų | 111.4 | 25% | 0.247 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -54.2 | -47.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N30 F36 C37 F38 | N30-G34 PolarHBondContact O-N 2.61Å; G34-F36 PolarHBondContact O-N 3.42Å; G34-C37 PolarHBondContact O-N 3.4Å; G34-F38 WeakPolarHBondContact O-CB 3.29Å; G34-F38 WeakPolarHBondContact O-CD2 3.49Å; G34-F38 PolarHBondContact O-N 2.91Å |
| 35 | E | 53.8 | Low | 54.2 | Low | 158 Ų | 158 | 115.9 Ų | 115.9 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -56.6 | -35.9 | 176.1 | -56.4 | -81.9 | 143.5 | 0 | 0 | 112.3 | L33 A39 | L33-E35 VanDerWaalsContact C-N 3.3Å; L33-E35 PolarHBondContact O-N 3.02Å; E35-A39 WeakPolarHBondContact O-CB 3.31Å; E35-A39 PolarHBondContact O-N 2.89Å |
| 36 | F | 51.2 | Low | 54.4 | Low | 129 Ų | 129 | 114.4 Ų | 114.4 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.5 | -38.7 | -179.4 | -154.7 | -106 | 0 | 0 | 0 | 112.2 | L33 G34 M40 | L33-F36 HydrophobicContact CD2-CB 4.39Å; L33-F36 HydrophobicContact CG-CB 4.38Å; L33-F36 WeakPolarHBondContact O-CB 3.41Å; L33-F36 PolarHBondContact O-N 3.2Å; L33-F36 VanDerWaalsContact O-N 3.08Å; G34-F36 PolarHBondContact O-N 3.42Å; F36-M40 HydrophobicContact CD1-CE 3.59Å; F36-M40 HydrophobicContact CE1-CE 3.18Å; F36-M40 HydrophobicContact CZ-CE 3.92Å; F36-M40 WeakPolarHBondContact O-CB 2.96Å; F36-M40 PolarHBondContact O-N 2.98Å |
| 37 | C | 55 | Low | 54.5 | Low | 37 Ų | 37 | 115 Ų | 115 | 25% | 0.25 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -70.5 | -39.5 | 174.7 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | W27 L33 G34 M40 I41 | W27-C37 PolarHBondContact NE1-SG 3.27Å; L33-C37 PolarHBondContact O-N 3.39Å; G34-C37 PolarHBondContact O-N 3.4Å; C37-M40 PolarHBondContact O-N 3.35Å; C37-I41 HydrophobicContact CB-CD1 4.38Å; C37-I41 WeakPolarHBondContact O-CB 3.49Å; C37-I41 WeakPolarHBondContact O-CD1 3.16Å; C37-I41 VanDerWaalsContact O-CG1 3.28Å; C37-I41 WeakPolarHBondContact O-CG1 3.18Å; C37-I41 PolarHBondContact O-N 2.92Å |
| 38 | F | 53 | Low | 54.4 | Low | 166 Ų | 166 | 113.3 Ų | 113.3 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.7 | -34.7 | 176.1 | -71.9 | -65.2 | 0 | 0 | 0 | 112.4 | G34 G42 | G34-F38 WeakPolarHBondContact O-CB 3.29Å; G34-F38 WeakPolarHBondContact O-CD2 3.49Å; G34-F38 PolarHBondContact O-N 2.91Å; F38-G42 WeakPolarHBondContact O-CA 3.17Å; F38-G42 PolarHBondContact O-N 2.96Å |
| 39 | A | 55.1 | Low | 54.1 | Low | 67 Ų | 67 | 113.4 Ų | 113.4 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.3 | -34.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E35 | E35-A39 WeakPolarHBondContact O-CB 3.31Å; E35-A39 PolarHBondContact O-N 2.89Å |
| 40 | M | 58.6 | Low | 53.8 | Low | 121 Ų | 121 | 117.4 Ų | 117.4 | 60% | 0.596 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.7 | -29.1 | -178.7 | -168.2 | 176.6 | -59.4 | 0 | 0 | 113.5 | F36 C37 | F36-M40 HydrophobicContact CD1-CE 3.59Å; F36-M40 HydrophobicContact CE1-CE 3.18Å; F36-M40 HydrophobicContact CZ-CE 3.92Å; F36-M40 WeakPolarHBondContact O-CB 2.96Å; F36-M40 PolarHBondContact O-N 2.98Å; C37-M40 PolarHBondContact O-N 3.35Å |
| 41 | I | 56.7 | Low | 54.1 | Low | 140 Ų | 140 | 119.2 Ų | 119.2 | 72% | 0.718 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -94.4 | -17.4 | -179.7 | -66 | 163.4 | 0 | 0 | 0 | 111.9 | C37 | C37-I41 HydrophobicContact CB-CD1 4.38Å; C37-I41 WeakPolarHBondContact O-CB 3.49Å; C37-I41 WeakPolarHBondContact O-CD1 3.16Å; C37-I41 VanDerWaalsContact O-CG1 3.28Å; C37-I41 WeakPolarHBondContact O-CG1 3.18Å; C37-I41 PolarHBondContact O-N 2.92Å |
| 42 | G | 57.1 | Low | 54 | Low | 58 Ų | 58 | 121 Ų | 121 | 60% | 0.598 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -103.7 | 6.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | F38 | F38-G42 WeakPolarHBondContact O-CA 3.17Å; F38-G42 PolarHBondContact O-N 2.96Å |
| 43 | R | 51.7 | Low | 53.9 | Low | 231 Ų | 231 | 121.8 Ų | 121.8 | 87% | 0.872 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -137.1 | 2.8 | -179.1 | -70.7 | -158.1 | 177.2 | -164.6 | 1.8 | 116.3 | D45 | R43-D45 PolarHBondContact O-N 3.14Š|
| 44 | A | 51.1 | Low | 53.7 | Low | 65 Ų | 65 | 124.4 Ų | 124.4 | 54% | 0.537 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -86.1 | 109.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 45 | D | 50.9 | Low | 52.8 | Low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | | | trans | 80.1 | 62 | 147.3 | -36.8 | -25.8 | 0 | 0 | 0 | 118.1 | R43 | R43-D45 PolarHBondContact O-N 3.14Š|
| 46 | I | 53.9 | Low | 52.7 | Low | 181 Ų | 181 | 128.9 Ų | 128.9 | 93% | 0.928 | 74% | 0.737 | S | S | * | * | | | trans | -110 | 15.4 | 158.9 | 39 | 170.9 | 0 | 0 | 0 | 113.7 | | |
| 47 | E | 54.3 | Low | 52.6 | Low | 197 Ų | 197 | 126.8 Ų | 126.8 | 92% | 0.921 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -113 | 96.9 | 172.8 | -168.2 | 166.6 | -172.6 | 0 | 0 | 109.9 | | |
| 48 | G | 49.7 | Very low | 52.2 | Low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 105.7 | 61.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 49 | S | 46.5 | Very low | 52.1 | Low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -128.9 | 72.9 | 159.7 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | S51 | S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 2.81Å |
| 50 | K | 49.2 | Very low | 51.9 | Low | 218 Ų | 218 | 139.2 Ų | 139.2 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | | | trans | -76.9 | 70.9 | 173.5 | -165.1 | 177.8 | -175.9 | 177 | 0 | 110.1 | | |
| 51 | S | 56.3 | Low | 51.2 | Low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -103.1 | 90.1 | 169.7 | 60 | 0 | 0 | 0 | 0 | 110.8 | S49 V53 | S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 2.81Å; S51-V53 PolarHBondContact O-N 2.96Å |
| 52 | N | 56.6 | Low | 50.2 | Low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -62.5 | 109.7 | 156.6 | 155.5 | 26.8 | 0 | 0 | 0 | 108.8 | | |
| 53 | V | 55.8 | Low | 50 | Low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | | | trans | -179.1 | 141.2 | 150.7 | 151.6 | 0 | 0 | 0 | 0 | 107.8 | S51 | S51-V53 PolarHBondContact O-N 2.96Š|
| 54 | A | 52.3 | Low | 49.4 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | | | trans | 90.1 | 62 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G56 | A54-G56 PolarHBondContact O-N 3.4Š|
| 55 | M | 40.3 | Very low | 49.9 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 98% | 0.975 | 83% | 0.834 | S | S | * | * | | | trans | -59.4 | 118.6 | 148.1 | -83.6 | -94.2 | -79.7 | 0 | 0 | 109.3 | | |
| 56 | G | 51.9 | Low | 50.1 | Low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | 107.8 | 69.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A54 | A54-G56 PolarHBondContact O-N 3.4Š|
| 57 | A | 49.3 | Very low | 49.6 | Very low | 84 Ų | 84 | 138.3 Ų | 138.3 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -167.6 | 98.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 58 | W | 45.1 | Very low | 49.5 | Very low | 247 Ų | 247 | 136.6 Ų | 136.6 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | | | trans | 63.1 | 94.7 | 153.8 | -56.7 | 80.6 | 0 | 0 | 0 | 117.1 | P60 | W58-P60 WeakPolarHBondContact O-CD 3.41Š|
| 59 | L | 52.9 | Low | 49 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | | | trans | -55.8 | 116.4 | 153.5 | -92.1 | 154.2 | 0 | 0 | 0 | 109 | | |
| 60 | P | 50.5 | Low | 49.3 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 69% | 0.688 | 82% | 0.816 | S | S | * | * | | | trans | -86.8 | 115.8 | 160.5 | 16.9 | 2.1 | 0 | 0 | 0 | 108 | W58 | W58-P60 WeakPolarHBondContact O-CD 3.41Š|
| 61 | Q | 42.9 | Very low | 48.7 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | 70.5 | 75.8 | 138.9 | -55.5 | -173.6 | -8.5 | 0 | 0 | 117.2 | | |
| 62 | A | 37 | Very low | 48.1 | Very low | 100 Ų | 100 | 139 Ų | 139 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | trans | -118.3 | 82.2 | 141.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 63 | S | 51.2 | Low | 47.5 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -144.3 | 102.8 | 171.7 | -49.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 64 | Y | 41 | Very low | 46.7 | Very low | 224 Ų | 224 | 136.6 Ų | 136.6 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | | | trans | -50 | 137.5 | 168.5 | -97.1 | -105 | 0 | 0 | 0 | 109.9 | C66 | Y64-C66 PolarHBondContact O-N 3.01Š|
| 65 | P | 61.2 | Low | 46.4 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -69.5 | 99.4 | 169.9 | 27.6 | -29.4 | 0 | 0 | 0 | 108.3 | G67 | P65-G67 PolarHBondContact O-N 2.91Š|
| 66 | C | 55.1 | Low | 46.4 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -60.4 | 121.7 | 165.4 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | Y64 N68 | Y64-C66 PolarHBondContact O-N 3.01Å; C66-N68 PolarHBondContact O-N 3.27Å |
| 67 | G | 43.8 | Very low | 46.2 | Very low | 62 Ų | 62 | 139.6 Ų | 139.6 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | | | trans | -63.8 | 113.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P65 | P65-G67 PolarHBondContact O-N 2.91Š|
| 68 | N | 51 | Low | 45.8 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | -90.2 | 116 | 175.2 | -118.8 | 16.3 | 0 | 0 | 0 | 109.6 | C66 | C66-N68 PolarHBondContact O-N 3.27Š|
| 69 | F | 39.7 | Very low | 45.9 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | | | trans | -70.5 | 158.9 | 161.1 | -69.3 | -91.4 | 0 | 0 | 0 | 110 | | |
| 70 | S | 51.8 | Low | 45.3 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | 101.6 | 109.4 | 170.5 | -36.9 | 0 | 0 | 0 | 0 | 114 | | |
| 71 | D | 37.4 | Very low | 45.1 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | | -164.1 | 151.6 | 88.1 | -93.3 | -23.3 | 0 | 0 | 0 | 113.7 | | |
| 72 | P | 43 | Very low | 45.2 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | | | trans | -98.3 | 144.4 | -162.9 | 37.2 | -29.3 | 0 | 0 | 0 | 112.3 | | |
| 73 | S | 45.6 | Very low | 45.7 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -155.6 | 112.1 | 146.2 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | I75 | S73-I75 PolarHBondContact O-N 3.48Š|
| 74 | C | 38.6 | Very low | 45.4 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -70.4 | 114.9 | 170.2 | 175.9 | 0 | 0 | 0 | 0 | 109 | | |
| 75 | I | 45.5 | Very low | 45.7 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -130.2 | 98.1 | 148.6 | -68.9 | -176.1 | 0 | 0 | 0 | 107 | S73 | S73-I75 PolarHBondContact O-N 3.48Š|
| 76 | E | 40.5 | Very low | 44.9 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | | | trans | -57.8 | 122.1 | 163.5 | -173.8 | -178.6 | -161.9 | 0 | 0 | 109.6 | | |
| 77 | S | 46.7 | Very low | 44.2 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | 172.4 | 115.3 | 139.9 | 34.3 | 0 | 0 | 0 | 0 | 113 | K79 | S77-K79 PolarHBondContact O-N 3.03Š|
| 78 | A | 42.3 | Very low | 44.3 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | 34 | 85.7 | 136 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 79 | K | 46.2 | Very low | 44 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 172.9 | 120.1 | 133.1 | -93.8 | 157.8 | -174.8 | 177.6 | 0 | 106.8 | S77 K81 | S77-K79 PolarHBondContact O-N 3.03Å; K79-K81 PolarHBondContact O-N 3.36Å |
| 80 | S | 40.7 | Very low | 44.3 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | -32.6 | 103.8 | 179.7 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | G82 | S80-G82 PolarHBondContact O-N 3.12Š|
| 81 | K | 47 | Very low | 44.2 | Very low | 210 Ų | 210 | 127 Ų | 127 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | | | trans | -88.7 | 111.2 | -177.1 | -169.3 | 169.2 | -178.6 | 176.2 | 0 | 109.6 | K79 | K79-K81 PolarHBondContact O-N 3.36Š|
| 82 | G | 44 | Very low | 44.4 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | | 71.9 | 83.5 | 128.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S80 | S80-G82 PolarHBondContact O-N 3.12Š|
| 83 | S | 47.8 | Very low | 44.5 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -55.9 | 146.7 | 148.5 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 84 | I | 44.6 | Very low | 44.6 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | | 153.2 | 94.8 | 122.9 | -79.5 | 156.2 | 0 | 0 | 0 | 109.1 | | |
| 85 | G | 46.5 | Very low | 44.6 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -159.1 | 104.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | A87 | G85-A87 PolarHBondContact O-N 3.19Š|
| 86 | H | 44.6 | Very low | 44.6 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | | | trans | -60.3 | 91.8 | -162.3 | -173.2 | 60.8 | 0 | 0 | 0 | 113.6 | F88 | H86-F88 VanDerWaalsContact C-N 3.35Å; H86-F88 AromaticContact CD2-CD1 3.11Å; H86-F88 WeakPolarHBondContact CD2-CD1 3.28Å; H86-F88 AromaticContact CD2-CE1 3.85Å; H86-F88 AromaticContact CD2-CG 3.88Å; H86-F88 AromaticContact CG-CD1 3.9Å; H86-F88 WeakPolarHBondContact NE2-CB 3.21Å; H86-F88 AromaticContact NE2-CD1 3.34Å; H86-F88 VanDerWaalsContact NE2-CD1 3.34Å; H86-F88 WeakPolarHBondContact NE2-CD1 3.17Å; H86-F88 AromaticContact NE2-CG 3.63Å; H86-F88 PolarHBondContact O-N 3.39Å |
| 87 | A | 41.6 | Very low | 44.5 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | -75.1 | 92.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | G85 A89 | G85-A87 PolarHBondContact O-N 3.19Å; A87-A89 PolarHBondContact O-N 2.58Å |
| 88 | F | 44.7 | Very low | 44.3 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 58% | 0.579 | 77% | 0.765 | S | S | * | * | | | trans | -83.9 | 107 | 166.5 | 56.4 | -81.5 | 0 | 0 | 0 | 109.2 | H86 V90 | H86-F88 VanDerWaalsContact C-N 3.35Å; H86-F88 AromaticContact CD2-CD1 3.11Å; H86-F88 WeakPolarHBondContact CD2-CD1 3.28Å; H86-F88 AromaticContact CD2-CE1 3.85Å; H86-F88 AromaticContact CD2-CG 3.88Å; H86-F88 AromaticContact CG-CD1 3.9Å; H86-F88 WeakPolarHBondContact NE2-CB 3.21Å; H86-F88 AromaticContact NE2-CD1 3.34Å; H86-F88 VanDerWaalsContact NE2-CD1 3.34Å; H86-F88 WeakPolarHBondContact NE2-CD1 3.17Å; H86-F88 AromaticContact NE2-CG 3.63Å; H86-F88 PolarHBondContact O-N 3.39Å; F88-V90 VanDerWaalsContact C-N 3.33Å; F88-V90 HydrophobicContact CD2-CB 4.08Å; F88-V90 HydrophobicContact CD2-CG2 3.36Å; F88-V90 HydrophobicContact CE2-CG2 3.92Å; F88-V90 HydrophobicContact CG-CG2 4.35Å; F88-V90 PolarHBondContact O-N 3.04Å; F88-V90 VanDerWaalsContact O-N 3.12Å |
| 89 | A | 45.4 | Very low | 44.1 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | -66.1 | 100.1 | 149 | 0 | 0 | 0 | 0 | 0 | 107 | A87 S91 | A87-A89 PolarHBondContact O-N 2.58Å; A89-S91 PolarHBondContact O-N 2.91Å; A89-S91 VanDerWaalsContact O-N 3.13Å |
| 90 | V | 45.6 | Very low | 43.9 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | | | trans | -77.2 | 95.5 | 167.1 | 153.1 | 0 | 0 | 0 | 0 | 107.2 | F88 I92 | F88-V90 VanDerWaalsContact C-N 3.33Å; F88-V90 HydrophobicContact CD2-CB 4.08Å; F88-V90 HydrophobicContact CD2-CG2 3.36Å; F88-V90 HydrophobicContact CE2-CG2 3.92Å; F88-V90 HydrophobicContact CG-CG2 4.35Å; F88-V90 PolarHBondContact O-N 3.04Å; F88-V90 VanDerWaalsContact O-N 3.12Å; V90-I92 HydrophobicContact CG1-CD1 4.02Å; V90-I92 HydrophobicContact CG1-CG1 3.36Å; V90-I92 PolarHBondContact O-N 3.3Å |
| 91 | S | 49.1 | Very low | 44.3 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | trans | -80.1 | 93.9 | 163 | 72.2 | 0 | 0 | 0 | 0 | 107.7 | A89 R93 | A89-S91 PolarHBondContact O-N 2.91Å; A89-S91 VanDerWaalsContact O-N 3.13Å; S91-R93 PolarHBondContact O-N 3.08Å |
| 92 | I | 42.7 | Very low | 44.1 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | -68.2 | 99 | 170.7 | -57 | -176.6 | 0 | 0 | 0 | 107.1 | V90 T94 | V90-I92 HydrophobicContact CG1-CD1 4.02Å; V90-I92 HydrophobicContact CG1-CG1 3.36Å; V90-I92 PolarHBondContact O-N 3.3Å; I92-T94 WeakPolarHBondContact CG2-OG1 3.45Å; I92-T94 PolarHBondContact O-N 3.42Å |
| 93 | R | 45.2 | Very low | 44.1 | Very low | 239 Ų | 239 | 128.4 Ų | 128.4 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | | | trans | -75.3 | 64.5 | 165.9 | -72.3 | -176 | 168.9 | -156.6 | -2.7 | 109.1 | S91 G95 | S91-R93 PolarHBondContact O-N 3.08Å; R93-G95 PolarHBondContact O-N 2.97Å |
| 94 | T | 46.7 | Very low | 44.2 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | | | trans | -94.1 | 83 | 166.1 | -58.8 | 0 | 0 | 0 | 0 | 107.6 | I92 N96 | I92-T94 WeakPolarHBondContact CG2-OG1 3.45Å; I92-T94 PolarHBondContact O-N 3.42Å; T94-N96 VanDerWaalsContact C-N 3.31Å; T94-N96 PolarHBondContact O-N 2.87Å; T94-N96 VanDerWaalsContact O-N 3.14Å |
| 95 | G | 38.1 | Very low | 44.4 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | trans | -72.2 | 90.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | R93 | R93-G95 PolarHBondContact O-N 2.97Š|
| 96 | N | 46.8 | Very low | 44.3 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -169.6 | 130.7 | 145.5 | -166.7 | -0.9 | 0 | 0 | 0 | 108.8 | T94 | T94-N96 VanDerWaalsContact C-N 3.31Å; T94-N96 PolarHBondContact O-N 2.87Å; T94-N96 VanDerWaalsContact O-N 3.14Å |
| 97 | Q | 37.3 | Very low | 44.3 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -72.5 | 125.7 | -168.6 | -60.7 | -174.3 | -19.7 | 0 | 0 | 110.9 | | |
| 98 | N | 44.3 | Very low | 44.7 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | | | trans | 162.2 | 61.8 | 149.7 | -76.7 | -21.3 | 0 | 0 | 0 | 107.7 | | |
| 99 | Q | 37.7 | Very low | 44.6 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | -102.9 | 103.8 | 173.6 | -66.3 | -170.6 | 51.2 | 0 | 0 | 108.6 | | |
| 100 | V | 41.7 | Very low | 44.3 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | trans | -99.6 | 122.3 | 150 | 168.2 | 0 | 0 | 0 | 0 | 105.6 | | |
| 101 | G | 48.3 | Very low | 44.1 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | trans | -57.4 | 136.2 | -156.8 | 0 | 0 | 0 | 0 | 0 | 116 | C103 | G101-C103 PolarHBondContact O-N 3.22Å; G101-C103 VanDerWaalsContact O-N 3.17Å |
| 102 | F | 42.6 | Very low | 43.9 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | | | trans | -72.5 | 100.9 | 166.1 | -71.7 | -84.2 | 0 | 0 | 0 | 109.3 | | |
| 103 | C | 43.8 | Very low | 43.8 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 54% | 0.541 | 76% | 0.755 | S | S | . | * | | | trans | -91.8 | 116.4 | 161.3 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | G101 F105 A106 | G101-C103 PolarHBondContact O-N 3.22Å; G101-C103 VanDerWaalsContact O-N 3.17Å; C103-F105 PolarHBondContact O-N 3.23Å; C103-A106 HydrophobicContact CB-CB 4.46Å; C103-A106 PolarHBondContact O-N 3.04Å |
| 104 | P | 50.7 | Low | 43.8 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 13 | -176.4 | 26.9 | -31.7 | 0 | 0 | 0 | 114.5 | | |
| 105 | F | 48.7 | Very low | 43.8 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | 13.7 | -177.9 | -62.4 | -74.4 | 0 | 0 | 0 | 114.4 | C103 | C103-F105 PolarHBondContact O-N 3.23Š|
| 106 | A | 44.2 | Very low | 44.2 | Very low | 67 Ų | 67 | 133 Ų | 133 | 55% | 0.554 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -110.4 | 122.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | C103 G108 | C103-A106 HydrophobicContact CB-CB 4.46Å; C103-A106 PolarHBondContact O-N 3.04Å; A106-G108 PolarHBondContact O-N 3.46Å |
| 107 | P | 44.4 | Very low | 44.1 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 90% | 0.903 | 76% | 0.756 | S | S | * | * | | | trans | -67.8 | 99.5 | 173.5 | -10 | 24.5 | 0 | 0 | 0 | 109.1 | | |
| 108 | G | 51.1 | Low | 44.7 | Very low | 59 Ų | 59 | 130.6 Ų | 130.6 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | trans | -96.2 | 123.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A106 I110 | A106-G108 PolarHBondContact O-N 3.46Å; G108-I110 WeakPolarHBondContact O-CG1 3.23Å; G108-I110 PolarHBondContact O-N 3.32Å |
| 109 | E | 41.2 | Very low | 44.8 | Very low | 182 Ų | 182 | 125.6 Ų | 125.6 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | | | trans | -64.8 | 96 | 176.5 | -62 | 171.7 | 148.4 | 0 | 0 | 109.9 | S111 | E109-S111 PolarHBondContact O-N 3.03Å; E109-S111 PolarHBondContact O-OG 3.26Å |
| 110 | I | 39.2 | Very low | 45.3 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | | | trans | -71.9 | 79.9 | 175.6 | -9.3 | 171.8 | 0 | 0 | 0 | 108.4 | G108 V112 | G108-I110 WeakPolarHBondContact O-CG1 3.23Å; G108-I110 PolarHBondContact O-N 3.32Å; I110-V112 PolarHBondContact O-N 3.06Å; I110-V112 VanDerWaalsContact O-N 3.14Å |
| 111 | S | 41.7 | Very low | 45.4 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | | | trans | -73.5 | 101.2 | -179.2 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | E109 L113 | E109-S111 PolarHBondContact O-N 3.03Å; E109-S111 PolarHBondContact O-OG 3.26Å; S111-L113 WeakPolarHBondContact O-CB 3.18Å; S111-L113 PolarHBondContact O-N 2.96Å |
| 112 | V | 44.3 | Very low | 45.2 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 50.3 | -6.1 | 141.9 | 178.8 | 0 | 0 | 0 | 0 | 119.3 | I110 | I110-V112 PolarHBondContact O-N 3.06Å; I110-V112 VanDerWaalsContact O-N 3.14Å |
| 113 | L | 41.9 | Very low | 45 | Very low | 144 Ų | 144 | 129 Ų | 129 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | | | trans | -104.8 | -21.6 | -166.7 | -162.7 | 68.9 | 0 | 0 | 0 | 112.4 | S111 E115 | S111-L113 WeakPolarHBondContact O-CB 3.18Å; S111-L113 PolarHBondContact O-N 2.96Å; L113-E115 PolarHBondContact O-N 2.94Å |
| 114 | A | 45.2 | Very low | 45 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 63% | 0.628 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -18 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 115 | E | 45.9 | Very low | 44.7 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -13.9 | -174.1 | -69.9 | -174 | 151.1 | 0 | 0 | 114.4 | L113 | L113-E115 PolarHBondContact O-N 2.94Š|
| 116 | L | 47.4 | Very low | 44.4 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -97.5 | -4 | -174.3 | -135.7 | 114.2 | 0 | 0 | 0 | 114.9 | | |
| 117 | T | 44 | Very low | 44.7 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -98.4 | -4.4 | 178.2 | -20.4 | 0 | 0 | 0 | 0 | 113.7 | G119 | T117-G119 PolarHBondContact O-N 3.43Š|
| 118 | L | 49.6 | Very low | 45.4 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | | | trans | -84.8 | 32.5 | 169.9 | -88.5 | 163 | 0 | 0 | 0 | 112.6 | H120 L121 | L118-H120 PolarHBondContact O-N 3.03Å; L118-L121 PolarHBondContact O-N 2.94Å |
| 119 | G | 46.8 | Very low | 45.9 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 16.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | T117 | T117-G119 PolarHBondContact O-N 3.43Š|
| 120 | H | 48.4 | Very low | 46.7 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 4.7 | -176.2 | -87.6 | 77.4 | 0 | 0 | 0 | 115.5 | L118 R122 | L118-H120 PolarHBondContact O-N 3.03Å; H120-R122 PolarHBondContact O-N 3.5Å |
| 121 | L | 44.5 | Very low | 47.6 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -79.6 | 59.4 | 171.8 | -155.5 | 76.4 | 0 | 0 | 0 | 111.4 | L118 S123 | L118-L121 PolarHBondContact O-N 2.94Å; L121-S123 PolarHBondContact O-N 3.05Å |
| 122 | R | 42.8 | Very low | 47.9 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | -76 | 79.5 | 166.5 | -67.7 | -176.7 | 172.5 | -155.5 | -1.9 | 108 | H120 | H120-R122 PolarHBondContact O-N 3.5Š|
| 123 | S | 39.8 | Very low | 48.3 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | -138.7 | 115.9 | 158.6 | -76.3 | 0 | 0 | 0 | 0 | 107.5 | L121 L125 | L121-S123 PolarHBondContact O-N 3.05Å; S123-L125 PolarHBondContact O-N 2.88Å |
| 124 | R | 42.5 | Very low | 48.9 | Very low | 240 Ų | 240 | 136.6 Ų | 136.6 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | | | trans | -63.6 | 98.5 | -173.4 | -67.2 | 178.2 | 174.4 | 179.4 | -2.8 | 109.5 | T126 | R124-T126 PolarHBondContact O-N 2.98Š|
| 125 | L | 45.9 | Very low | 49.5 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | -67.8 | 81.1 | 158.7 | -115.9 | 149.8 | 0 | 0 | 0 | 107.1 | S123 | S123-L125 PolarHBondContact O-N 2.88Š|
| 126 | T | 42.3 | Very low | 49.7 | Very low | 105 Ų | 105 | 141 Ų | 141 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | | | trans | -106.2 | 84.8 | 164.6 | -46.6 | 0 | 0 | 0 | 0 | 106 | R124 V128 | R124-T126 PolarHBondContact O-N 2.98Å; T126-V128 PolarHBondContact O-N 3.38Å |
| 127 | D | 49.2 | Very low | 49.8 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | trans | -80 | 41.5 | 178.5 | -165.2 | 29.7 | 0 | 0 | 0 | 111.7 | | |
| 128 | V | 60.1 | Low | 49.9 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | | | trans | -122 | 101.2 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | T126 P130 | T126-V128 PolarHBondContact O-N 3.38Å; V128-P130 WeakPolarHBondContact O-CD 3.46Å |
| 129 | P | 61.3 | Low | 49.6 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | | | trans | -72.4 | 124 | 171.5 | 28.2 | -30.7 | 0 | 0 | 0 | 108.9 | Q131 | P129-Q131 PolarHBondContact O-N 3.4Š|
| 130 | P | 58.1 | Low | 49.6 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -71.3 | 103.9 | 171.2 | 26.6 | -29.6 | 0 | 0 | 0 | 109.1 | V128 | V128-P130 WeakPolarHBondContact O-CD 3.46Š|
| 131 | Q | 57.5 | Low | 49.6 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -81.6 | 118.2 | 167.8 | -86.2 | -172.3 | -97.6 | 0 | 0 | 110.6 | P129 | P129-Q131 PolarHBondContact O-N 3.4Š|
| 132 | S | 47.8 | Very low | 49.6 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -102.7 | 102.9 | 171.7 | 60 | 0 | 0 | 0 | 0 | 110.7 | | |
| 133 | N | 53.6 | Low | 49.7 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -124 | 36.5 | 178.1 | -71 | -21.7 | 0 | 0 | 0 | 113.5 | | |
| 134 | S | 53.5 | Low | 50.1 | Low | 125 Ų | 125 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -119 | 122.5 | 176.5 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 135 | R | 57.9 | Low | 50 | Low | 224 Ų | 224 | 138.1 Ų | 138.1 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | -71.3 | 144.3 | -169.9 | -173 | 177.5 | 177.7 | 166 | -1 | 112.6 | D137 | R135-D137 PolarHBondContact O-N 3.02Š|
| 136 | P | 51.7 | Low | 50 | Low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | trans | -87.5 | 109.9 | -179.8 | 32.9 | -28 | 0 | 0 | 0 | 110 | | |
| 137 | D | 49.5 | Very low | 50.2 | Low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -84.7 | 120 | 168.5 | -87.8 | -24.5 | 0 | 0 | 0 | 110.5 | R135 | R135-D137 PolarHBondContact O-N 3.02Š|
| 138 | T | 45.4 | Very low | 50.1 | Low | 125 Ų | 125 | 142.8 Ų | 142.8 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | | | trans | -72.9 | 165.1 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 139 | V | 42.6 | Very low | 49.5 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 65% | 0.648 | 79% | 0.793 | S | S | * | * | | | trans | 92.2 | 94 | 168.1 | -167.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 140 | F | 47 | Very low | 48.6 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | | | | -165.5 | 126.5 | 112.3 | -82.4 | -64.7 | 0 | 0 | 0 | 108.6 | | |
| 141 | G | 47.9 | Very low | 47.5 | Very low | 72 Ų | 72 | 145.5 Ų | 145.5 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | -76.5 | -171.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 142 | P | 45.1 | Very low | 46.5 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -96.3 | 143.2 | -139.1 | 36.7 | -33.8 | 0 | 0 | 0 | 113.4 | | |
| 143 | D | 45.1 | Very low | 46.3 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | | 165.3 | 135.3 | 129.2 | -99.6 | -39.4 | 0 | 0 | 0 | 112.8 | | |
| 144 | R | 48.6 | Very low | 45.8 | Very low | 236 Ų | 236 | 148.7 Ų | 148.7 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 79.8 | 151.3 | 159.7 | -86.1 | -178.4 | 170.2 | 165.8 | -1.3 | 120.3 | | |
| 145 | P | 40.4 | Very low | 45.1 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | | -100.4 | 121.1 | -117.7 | 35.6 | -32.1 | 0 | 0 | 0 | 113.4 | R147 | P145-R147 PolarHBondContact O-N 2.98Š|
| 146 | G | 45.5 | Very low | 44.2 | Very low | 80 Ų | 80 | 146.9 Ų | 146.9 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -83.1 | 104.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H148 | G146-H148 PolarHBondContact O-N 3.46Š|
| 147 | R | 46.5 | Very low | 43.9 | Very low | 243 Ų | 243 | 148.3 Ų | 148.3 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -64 | 117.8 | 153.9 | -57.2 | 165.2 | 67.9 | -161.9 | 2.4 | 106.8 | P145 | P145-R147 PolarHBondContact O-N 2.98Š|
| 148 | H | 46.2 | Very low | 43.5 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | | | | 176.7 | 102.7 | 127.5 | -153.3 | -121.1 | 0 | 0 | 0 | 110.4 | G146 | G146-H148 PolarHBondContact O-N 3.46Š|
| 149 | L | 47.4 | Very low | 43.2 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | trans | 22.1 | 115.1 | 142.6 | -74.9 | 155.6 | 0 | 0 | 0 | 119.3 | | |
| 150 | A | 42.6 | Very low | 43.4 | Very low | 83 Ų | 83 | 147 Ų | 147 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | | | | 105.6 | 139.7 | 115.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 151 | L | 36.5 | Very low | 43 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | 87.3 | 67.9 | 163.1 | -48 | -174.1 | 0 | 0 | 0 | 116.1 | | |
| 152 | L | 35.8 | Very low | 42.6 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | trans | -166.1 | 128.3 | 139.5 | -103.8 | 149.2 | 0 | 0 | 0 | 108.5 | | |
| 153 | R | 43.9 | Very low | 42.4 | Very low | 218 Ų | 218 | 145 Ų | 145 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | | | trans | 133.5 | 136.6 | 164.1 | -67.9 | -9.9 | 158.9 | -160.4 | -7.1 | 107.8 | | |
| 154 | V | 42.1 | Very low | 42 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | | | cis | -172.1 | 119.9 | 7.1 | 136 | 0 | 0 | 0 | 0 | 101.8 | | |
| 155 | L | 39.3 | Very low | 41.9 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | | 36.4 | 125.2 | 115.8 | -58 | 176.6 | 0 | 0 | 0 | 115.5 | | |
| 156 | D | 38.4 | Very low | 42 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | 84.1 | 95.3 | 137.4 | -146.6 | 24.4 | 0 | 0 | 0 | 119.2 | | |
| 157 | V | 46.5 | Very low | 41.7 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | -154.4 | 128.6 | 145.6 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 158 | P | 39.8 | Very low | 41.3 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | | | trans | -85.9 | 171.2 | -173.7 | 35.6 | -36.1 | 0 | 0 | 0 | 114.2 | | |
| 159 | P | 40.3 | Very low | 41.2 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -84.6 | 135.5 | -172.7 | 33.9 | -30.2 | 0 | 0 | 0 | 111 | | |
| 160 | T | 45.8 | Very low | 40.7 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | -143.9 | 131.8 | 167.1 | -47.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 161 | A | 38.5 | Very low | 40.9 | Very low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -56.3 | 132.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 162 | G | 39.4 | Very low | 41.3 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | trans | -136.6 | 99 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 163 | H | 41.4 | Very low | 41.6 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | | | | 51.5 | 97.2 | 76.4 | -117.2 | -114 | 0 | 0 | 0 | 113.5 | | |
| 164 | A | 37.5 | Very low | 41.7 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | 55.1 | 89.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 165 | S | 46.2 | Very low | 42 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -89.6 | 106.3 | 155 | -65.7 | 0 | 0 | 0 | 0 | 110 | G167 | S165-G167 PolarHBondContact O-N 3.46Š|
| 166 | R | 41.6 | Very low | 42.3 | Very low | 237 Ų | 237 | 138 Ų | 138 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | | | trans | -55.5 | 111.8 | 171.8 | -70.1 | 170 | 154.7 | 179.9 | -7.1 | 110.9 | | |
| 167 | G | 39.8 | Very low | 42.7 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -100.8 | 97.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S165 C169 | S165-G167 PolarHBondContact O-N 3.46Å; G167-C169 PolarHBondContact O-N 3.44Å |
| 168 | L | 39.1 | Very low | 42.6 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -70.1 | 111 | 171.2 | -86.8 | 127.3 | 0 | 0 | 0 | 109.6 | | |
| 169 | C | 42.4 | Very low | 43.2 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | | | trans | -135.1 | 98.1 | 156.8 | -86.4 | 0 | 0 | 0 | 0 | 108.4 | G167 | G167-C169 PolarHBondContact O-N 3.44Š|
| 170 | T | 37.2 | Very low | 43.3 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -85.4 | 115.9 | 171.8 | 50.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 171 | K | 47.7 | Very low | 43.2 | Very low | 210 Ų | 210 | 134.3 Ų | 134.3 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | -159.4 | 135.7 | 143.4 | -126.8 | 177.2 | -179.2 | -175.8 | 0 | 112.2 | | |
| 172 | S | 43.8 | Very low | 43.6 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -69.9 | 156.9 | -170.1 | 55.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 173 | G | 44 | Very low | 44.1 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | 137.9 | 81 | 154.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 174 | S | 45.1 | Very low | 44.3 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | | 79.1 | 109.4 | 88.4 | -160.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 175 | R | 48.8 | Very low | 44.5 | Very low | 213 Ų | 213 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 100 | 120 | 144.9 | -76.4 | -173.8 | -75.3 | -133.2 | 6.5 | 121.8 | | |
| 176 | R | 44.1 | Very low | 44.4 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | 96.2 | 109.1 | 142.6 | -86.3 | -179.7 | -137.2 | 168 | 3.9 | 119.3 | | |
| 177 | A | 47.4 | Very low | 44.6 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | -80.3 | -161 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 178 | P | 45.9 | Very low | 45 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | | | cis | -136.6 | -172.6 | -17 | 24 | 1.2 | 0 | 0 | 0 | 112.8 | | |
| 179 | L | 51.3 | Low | 45.1 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | 140.5 | 103.4 | 130 | -70 | 173 | 0 | 0 | 0 | 114.6 | | |
| 180 | D | 43 | Very low | 45.3 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | | 32.3 | 122.3 | 129 | -53.8 | -43.6 | 0 | 0 | 0 | 121 | | |
| 181 | G | 43.6 | Very low | 45.9 | Very low | 85 Ų | 85 | 145.6 Ų | 145.6 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | | | trans | -141.6 | 100.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 182 | H | 46.8 | Very low | 45.8 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -103.5 | 133.1 | -179.8 | -176.4 | -74.1 | 0 | 0 | 0 | 109.9 | | |
| 183 | A | 49 | Very low | 45.9 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | 168.4 | 107.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 184 | S | 46.6 | Very low | 46 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | | | | 63.5 | 109.8 | 78.3 | -79.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 185 | D | 40.7 | Very low | 46.1 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | | | trans | 63.3 | 111 | 131.9 | -113.3 | -7 | 0 | 0 | 0 | 120.3 | | |
| 186 | R | 45.1 | Very low | 45.9 | Very low | 236 Ų | 236 | 153.3 Ų | 153.3 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | | | trans | -140.7 | 106.4 | 146.7 | -77 | -163.6 | 174.8 | -179.1 | -2 | 110.9 | | |
| 187 | S | 45.9 | Very low | 46 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | | | trans | -51.2 | 141.9 | 162.8 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 188 | F | 47.1 | Very low | 45.9 | Very low | 196 Ų | 196 | 152.3 Ų | 152.3 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -95.1 | 127.6 | 163.9 | -69.1 | -86.9 | 0 | 0 | 0 | 110 | | |
| 189 | L | 42 | Very low | 45.9 | Very low | 149 Ų | 149 | 155.6 Ų | 155.6 | 78% | 0.78 | 83% | 0.834 | S | S | * | * | | | trans | -114.4 | 127 | 162.1 | -77.5 | 166.1 | 0 | 0 | 0 | 106.6 | | |
| 190 | F | 46.7 | Very low | 45.5 | Very low | 203 Ų | 203 | 156.8 Ų | 156.8 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | | | trans | -133 | 127.2 | 155.2 | -92 | -83.4 | 0 | 0 | 0 | 107.8 | | |
| 191 | T | 50.4 | Low | 45.7 | Very low | 124 Ų | 124 | 156.8 Ų | 156.8 | 76% | 0.761 | 84% | 0.841 | S | S | * | * | | | trans | -101 | 134.9 | -177.2 | -47.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 192 | E | 44.8 | Very low | 45.9 | Very low | 263 Ų | 263 | 163.3 Ų | 163.3 | 100% | 1.229 | 84% | 0.838 | S | S | * | * | | | trans | 58.5 | 0 | 174.8 | -67.1 | -91.4 | 114.2 | 0 | 0 | 118 | | |