| 1 | M | 47.7 | Very low | 55.9 | Low | 202 Ų | 202 | 150.7 Ų | 150.7 | 100% | 0.995 | 79% | 0.791 | S | S | * | * | | | | 0 | 103.8 | 0 | -80.9 | 69.1 | -178.2 | 0 | 0 | 109.3 | Y3 | M1-Y3 HydrophobicContact CB-CE2 4.38Å; M1-Y3 HydrophobicContact CG-CD2 4.21Å; M1-Y3 HydrophobicContact CG-CE2 4.09Å; M1-Y3 HydrophobicContact CB-CD2 4.21Å |
| 2 | N | 47.7 | Very low | 55.7 | Low | 169 Ų | 169 | 144.4 Ų | 144.4 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | -139.4 | 69.6 | 169 | -76 | -51.2 | 0 | 0 | 0 | 107.3 | | |
| 3 | Y | 54.7 | Low | 55.8 | Low | 179 Ų | 179 | 150.5 Ų | 150.5 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | | | trans | -104.1 | 20.9 | -168.6 | -70 | -77.5 | 0 | 0 | 0 | 114.2 | M1 | M1-Y3 HydrophobicContact CB-CE2 4.38Å; M1-Y3 HydrophobicContact CG-CD2 4.21Å; M1-Y3 HydrophobicContact CG-CE2 4.09Å; M1-Y3 HydrophobicContact CB-CD2 4.21Å |
| 4 | Y | 57.4 | Low | 55.8 | Low | 189 Ų | 189 | 144.7 Ų | 144.7 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -143.3 | 27.1 | -171.9 | -76.1 | -80.9 | 0 | 0 | 0 | 115.5 | Y7 | Y4-Y7 HydrophobicContact CD1-CD2 4.11Å; Y4-Y7 AromaticContact CD1-CE2 3.61Å; Y4-Y7 HydrophobicContact CD1-CE2 3.61Å; Y4-Y7 HydrophobicContact CE1-CE2 4.08Å; Y4-Y7 HydrophobicContact CG-CE2 4.49Å |
| 5 | G | 57.4 | Low | 55.9 | Low | 67 Ų | 67 | 150.5 Ų | 150.5 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -97.7 | 2.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 6 | N | 59.6 | Low | 56 | Low | 161 Ų | 161 | 145.3 Ų | 145.3 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -138.9 | 31.2 | -178.8 | -81.8 | -73.2 | 0 | 0 | 0 | 113.5 | | |
| 7 | Y | 58.3 | Low | 56.2 | Low | 155 Ų | 155 | 139.8 Ų | 139.8 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -81.5 | 112.9 | 159.2 | -66.5 | -96.2 | 0 | 0 | 0 | 106.3 | Y4 | Y4-Y7 HydrophobicContact CD1-CD2 4.11Å; Y4-Y7 AromaticContact CD1-CE2 3.61Å; Y4-Y7 HydrophobicContact CD1-CE2 3.61Å; Y4-Y7 HydrophobicContact CE1-CE2 4.08Å; Y4-Y7 HydrophobicContact CG-CE2 4.49Å |
| 8 | Y | 56.4 | Low | 56.3 | Low | 225 Ų | 225 | 143.6 Ų | 143.6 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | | | trans | 86.6 | 46.3 | 168.4 | -49.1 | -81.7 | 0 | 0 | 0 | 120.3 | | |
| 9 | G | 55.9 | Low | 56.2 | Low | 75 Ų | 75 | 143.1 Ų | 143.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -127.1 | 68.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 10 | G | 59.8 | Low | 56 | Low | 60 Ų | 60 | 142.1 Ų | 142.1 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | | | | 89.8 | 93.9 | 68 | 0 | 0 | 0 | 0 | 0 | 108.7 | G12 | G10-G12 PolarHBondContact O-N 3.3Š|
| 11 | L | 60.1 | Low | 56 | Low | 176 Ų | 176 | 144.7 Ų | 144.7 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | 51.3 | 59.9 | 140 | -59.3 | 160.4 | 0 | 0 | 0 | 116.6 | | |
| 12 | G | 52.7 | Low | 56.4 | Low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -108.8 | 95.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G10 G14 | G10-G12 PolarHBondContact O-N 3.3Å; G12-G14 VanDerWaalsContact C-N 3.25Å; G12-G14 PolarHBondContact O-N 3.46Å |
| 13 | Y | 58.1 | Low | 56.8 | Low | 223 Ų | 223 | 140.9 Ų | 140.9 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | | | trans | -58 | 89.7 | 162.1 | -81.8 | -101.3 | 0 | 0 | 0 | 109.2 | | |
| 14 | G | 54.8 | Low | 56.5 | Low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -104.3 | 87.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G12 G16 | G12-G14 VanDerWaalsContact C-N 3.25Å; G12-G14 PolarHBondContact O-N 3.46Å; G14-G16 PolarHBondContact O-N 2.84Å |
| 15 | Y | 58 | Low | 56.3 | Low | 232 Ų | 232 | 134.8 Ų | 134.8 | 91% | 0.91 | 76% | 0.756 | S | S | * | * | | | trans | -50.9 | 126.3 | 161 | -101.1 | -100.2 | 0 | 0 | 0 | 109.7 | | |
| 16 | G | 57.5 | Low | 55.9 | Low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 104.5 | 75.7 | 156 | 0 | 0 | 0 | 0 | 0 | 115.9 | G14 | G14-G16 PolarHBondContact O-N 2.84Š|
| 17 | G | 58.9 | Low | 55.8 | Low | 52 Ų | 52 | 133.7 Ų | 133.7 | 54% | 0.536 | 76% | 0.76 | S | S | . | * | S | Bend | trans | -166 | -6.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 18 | F | 57.7 | Low | 55.4 | Low | 207 Ų | 207 | 129 Ų | 129 | 91% | 0.908 | 76% | 0.759 | S | S | * | * | | | trans | -146.1 | 33.5 | -174.4 | -52.7 | -75.3 | 0 | 0 | 0 | 112.7 | D20 | F18-D20 PolarHBondContact O-N 3.37Å; F18-D20 VanDerWaalsContact C-N 3.32Å |
| 19 | D | 54 | Low | 55.4 | Low | 134 Ų | 134 | 125.5 Ų | 125.5 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | | | trans | -76 | 93.3 | 168 | -65 | -80.4 | 0 | 0 | 0 | 107.9 | | |
| 20 | D | 52.5 | Low | 55.1 | Low | 124 Ų | 124 | 125 Ų | 125 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | | | trans | 94.2 | 74.4 | 142.9 | -50.7 | -65 | 0 | 0 | 0 | 118.1 | F18 G22 | F18-D20 PolarHBondContact O-N 3.37Å; F18-D20 VanDerWaalsContact C-N 3.32Å; D20-G22 PolarHBondContact O-N 3.06Å |
| 21 | L | 56.3 | Low | 54.9 | Low | 197 Ų | 197 | 124.9 Ų | 124.9 | 100% | 1.031 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -65.4 | 26 | 138.3 | -144.6 | 91.4 | 0 | 0 | 0 | 112.5 | | |
| 22 | G | 55.8 | Low | 54.4 | Low | 37 Ų | 37 | 125.4 Ų | 125.4 | 38% | 0.381 | 76% | 0.755 | S | S | . | * | S | Bend | trans | -137.1 | 93.4 | -159.8 | 0 | 0 | 0 | 0 | 0 | 113 | D20 G24 | D20-G22 PolarHBondContact O-N 3.06Å; G22-G24 PolarHBondContact O-N 3.02Å |
| 23 | Y | 55.9 | Low | 54.2 | Low | 253 Ų | 253 | 132.5 Ų | 132.5 | 99% | 0.992 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 45.7 | 49 | 147.2 | -138.2 | -91.3 | 0 | 0 | 0 | 117 | | |
| 24 | G | 49.6 | Very low | 53.7 | Low | 61 Ų | 61 | 132 Ų | 132 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | trans | -149.6 | 123.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G22 G26 | G22-G24 PolarHBondContact O-N 3.02Å; G24-G26 VanDerWaalsContact C-N 3.32Å; G24-G26 PolarHBondContact O-N 2.77Å |
| 25 | Y | 52.6 | Low | 53.5 | Low | 179 Ų | 179 | 134.4 Ų | 134.4 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | trans | -62.4 | 93.3 | 179.7 | -159.1 | -108.2 | 0 | 0 | 0 | 108.7 | C27 L35 | Y25-C27 PolarHBondContact O-N 3.5Å; Y25-L35 WeakPolarHBondContact CE1-O 3.21Å |
| 26 | G | 48.7 | Very low | 53.1 | Low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | trans | -54.8 | 117.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G24 G28 | G24-G26 VanDerWaalsContact C-N 3.32Å; G24-G26 PolarHBondContact O-N 2.77Å; G26-G28 PolarHBondContact O-N 3.01Å |
| 27 | C | 58.7 | Low | 52.7 | Low | 138 Ų | 138 | 134 Ų | 134 | 93% | 0.932 | 75% | 0.745 | S | S | * | * | | | trans | -92.2 | 68.2 | 147.1 | -169.4 | 0 | 0 | 0 | 0 | 107.3 | Y25 | Y25-C27 PolarHBondContact O-N 3.5Š|
| 28 | G | 48.6 | Very low | 52.1 | Low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | | | trans | -114.4 | 110.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | G26 G30 | G26-G28 PolarHBondContact O-N 3.01Å; G28-G30 PolarHBondContact O-N 3.06Å |
| 29 | C | 56.5 | Low | 52 | Low | 150 Ų | 150 | 131.7 Ų | 131.7 | 100% | 1.014 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -65.8 | 78.1 | 162.9 | -77.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 30 | G | 50.4 | Low | 51.9 | Low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -170.6 | 95.6 | -176 | 0 | 0 | 0 | 0 | 0 | 109 | G28 | G28-G30 PolarHBondContact O-N 3.06Š|
| 31 | G | 55.6 | Low | 51.9 | Low | 58 Ų | 58 | 134.4 Ų | 134.4 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 64.1 | 103.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 32 | F | 49.7 | Very low | 51.3 | Low | 187 Ų | 187 | 128.4 Ų | 128.4 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 72.8 | 104.7 | 153.3 | -47 | -82.3 | 0 | 0 | 0 | 117 | | |
| 33 | R | 47.5 | Very low | 50.9 | Low | 224 Ų | 224 | 128.8 Ų | 128.8 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | 86.4 | 103.5 | 145.6 | -60.1 | 177.5 | -93 | -165.5 | -7.1 | 118.1 | | |
| 34 | R | 47.7 | Very low | 50.7 | Low | 211 Ų | 211 | 127.8 Ų | 127.8 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | 77.4 | 109 | 131.2 | -79 | -179.3 | 104.9 | 178 | 5.3 | 120.4 | | |
| 35 | L | 51.7 | Low | 50.4 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 63% | 0.634 | 77% | 0.767 | S | S | * | * | | | trans | 69.8 | 144.7 | 141.8 | -74 | 91.9 | 0 | 0 | 0 | 116.4 | Y25 | Y25-L35 WeakPolarHBondContact CE1-O 3.21Š|
| 36 | G | 50 | Low | 50.4 | Low | 55 Ų | 55 | 129.2 Ų | 129.2 | 57% | 0.567 | 77% | 0.77 | S | S | * | * | | | cis | -157.9 | 163.1 | 4.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 37 | Y | 47.5 | Very low | 50.2 | Low | 236 Ų | 236 | 129.6 Ų | 129.6 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | S | Bend | | -168.8 | 135 | 74.5 | -97.4 | -99.5 | 0 | 0 | 0 | 107.9 | | |
| 38 | G | 46.8 | Very low | 49.7 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | 110.9 | 45.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 39 | C | 55 | Low | 49.9 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | | | trans | -106.6 | 112 | 162 | -128.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 40 | G | 51.9 | Low | 49.7 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | | | trans | -40.7 | 129.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 41 | Y | 52.5 | Low | 49.7 | Very low | 241 Ų | 241 | 128.4 Ų | 128.4 | 95% | 0.945 | 75% | 0.746 | S | S | * | * | | | trans | -62.7 | 139.8 | 156.8 | -71.6 | -97.6 | 0 | 0 | 0 | 109.9 | | |
| 42 | G | 44.5 | Very low | 49.6 | Very low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | trans | 123.5 | 91.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 43 | G | 46.7 | Very low | 49.9 | Very low | 44 Ų | 44 | 130.7 Ų | 130.7 | 45% | 0.454 | 75% | 0.749 | S | S | . | * | | | cis | 110.3 | 107.5 | 48.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 44 | Y | 52.2 | Low | 50.1 | Low | 232 Ų | 232 | 123.5 Ų | 123.5 | 91% | 0.91 | 74% | 0.744 | S | S | * | * | | | trans | 29.5 | 106.3 | 142.1 | 16.9 | -93.9 | 0 | 0 | 0 | 116.6 | | |
| 45 | G | 44 | Very low | 50.2 | Low | 78 Ų | 78 | 124.9 Ų | 124.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -176.5 | 90.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 46 | Y | 52.6 | Low | 50 | Low | 193 Ų | 193 | 130.3 Ų | 130.3 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | | | trans | -70.5 | 124.9 | 165.5 | -153.9 | -89.7 | 0 | 0 | 0 | 108.3 | C62 | Y46-C62 HydrophobicContact CE1-CB 4.24Š|
| 47 | G | 45 | Very low | 50.4 | Low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | -177 | 102.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 48 | S | 47.4 | Very low | 50.7 | Low | 71 Ų | 71 | 127.5 Ų | 127.5 | 50% | 0.497 | 77% | 0.768 | S | S | . | * | | | trans | -80 | 138.3 | 171.8 | -165.3 | 0 | 0 | 0 | 0 | 110.7 | C62 | S48-C62 WeakPolarHBondContact CB-O 2.9Š|
| 49 | G | 51.9 | Low | 51 | Low | 47 Ų | 47 | 135.3 Ų | 135.3 | 49% | 0.485 | 77% | 0.772 | S | S | . | * | S | Bend | trans | 99.8 | 125 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 50 | F | 53.7 | Low | 51 | Low | 188 Ų | 188 | 134.4 Ų | 134.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 67.1 | 102 | 164 | -63.1 | -86.5 | 0 | 0 | 0 | 117.9 | | |
| 51 | G | 49.9 | Very low | 50.7 | Low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | 109.6 | 115.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 52 | G | 54.1 | Low | 50.5 | Low | 53 Ų | 53 | 126.2 Ų | 126.2 | 55% | 0.546 | 73% | 0.731 | S | S | . | * | | | trans | 87.1 | 107.4 | 142 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 53 | Y | 55 | Low | 50.8 | Low | 240 Ų | 240 | 134 Ų | 134 | 94% | 0.941 | 74% | 0.74 | S | S | * | * | | | trans | 56.4 | 89.5 | 138.3 | -35.3 | -76 | 0 | 0 | 0 | 117.8 | | |
| 54 | G | 51.2 | Low | 51.1 | Low | 72 Ų | 72 | 133.8 Ų | 133.8 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | | | trans | 166.1 | 87.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R56 | G54-R56 PolarHBondContact O-N 3.01Š|
| 55 | Y | 50.2 | Low | 51.2 | Low | 241 Ų | 241 | 125.1 Ų | 125.1 | 95% | 0.945 | 72% | 0.719 | S | S | * | * | | | trans | -52.7 | 108.1 | 165.6 | -107.9 | -101.1 | 0 | 0 | 0 | 109.7 | | |
| 56 | R | 47.4 | Very low | 51.5 | Low | 234 Ų | 234 | 133.1 Ų | 133.1 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | | | trans | -165 | 116.7 | 163 | -111.3 | 173.9 | -89.3 | -159.7 | 1.6 | 113.2 | G54 | G54-R56 PolarHBondContact O-N 3.01Š|
| 57 | S | 59.6 | Low | 51.8 | Low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | | | trans | 50.6 | 125.1 | 143.1 | -65.3 | 0 | 0 | 0 | 0 | 122 | | |
| 58 | C | 53.8 | Low | 52.1 | Low | 125 Ų | 125 | 132.5 Ų | 132.5 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | | | trans | 44.6 | 91.9 | 139.7 | -56.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 59 | R | 51.7 | Low | 52.3 | Low | 245 Ų | 245 | 134.2 Ų | 134.2 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | | | trans | 7.2 | 160.1 | 143.5 | -86.7 | 174.9 | 154.1 | 124.8 | -5.6 | 119.3 | | |
| 60 | P | 55.8 | Low | 51.9 | Low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | cis | -141.6 | -176.1 | -15.2 | 36 | -14.1 | 0 | 0 | 0 | 114.7 | | |
| 61 | S | 46.4 | Very low | 51.6 | Low | 86 Ų | 86 | 141.7 Ų | 141.7 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | | | trans | 102.4 | 132.6 | 150.2 | -148.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 62 | C | 48.3 | Very low | 51.4 | Low | 57 Ų | 57 | 152 Ų | 152 | 39% | 0.385 | 77% | 0.77 | S | S | . | * | S | Bend | trans | 98.8 | 94.5 | 157.7 | -54.1 | 0 | 0 | 0 | 0 | 118 | Y46 S48 | Y46-C62 HydrophobicContact CE1-CB 4.24Å; S48-C62 WeakPolarHBondContact CB-O 2.9Å |
| 63 | Y | 50.8 | Low | 51.3 | Low | 236 Ų | 236 | 156.9 Ų | 156.9 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 85.7 | 31.5 | 142.6 | -72.6 | -83.4 | 0 | 0 | 0 | 123.2 | | |
| 64 | G | 52.8 | Low | 51.1 | Low | 38 Ų | 38 | 152.5 Ų | 152.5 | 39% | 0.392 | 77% | 0.773 | S | S | . | * | | | trans | -157.1 | 102 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 65 | G | 53.4 | Low | 51.1 | Low | 51 Ų | 51 | 157 Ų | 157 | 53% | 0.526 | 78% | 0.775 | S | S | . | * | | | trans | 125.7 | 53.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G67 | G65-G67 PolarHBondContact O-N 2.81Š|
| 66 | Y | 49.6 | Very low | 51.2 | Low | 245 Ų | 245 | 152.1 Ų | 152.1 | 96% | 0.961 | 76% | 0.764 | S | S | * | * | | | trans | -77.7 | 74.8 | 154.5 | -62.7 | -77.8 | 0 | 0 | 0 | 108.5 | | |
| 67 | G | 59.8 | Low | 51.4 | Low | 48 Ų | 48 | 146.9 Ų | 146.9 | 50% | 0.495 | 76% | 0.757 | S | S | . | * | | | trans | -84.2 | 134 | 158 | 0 | 0 | 0 | 0 | 0 | 108 | G65 | G65-G67 PolarHBondContact O-N 2.81Š|
| 68 | F | 52.2 | Low | 50.9 | Low | 208 Ų | 208 | 149.6 Ų | 149.6 | 91% | 0.912 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 85.2 | 93.6 | -180 | -49.9 | -75.7 | 0 | 0 | 0 | 115.9 | | |
| 69 | S | 50.6 | Low | 50.6 | Low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | | 157.2 | 75.7 | 128.7 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 70 | Q | 44.6 | Very low | 50.6 | Low | 194 Ų | 194 | 144.2 Ų | 144.2 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | | | trans | -109.5 | 93.4 | 151.9 | -72.6 | -134.3 | 19.4 | 0 | 0 | 106.9 | Y72 | Q70-Y72 PolarHBondContact O-N 3.2Š|
| 71 | F | 47.7 | Very low | 50.1 | Low | 199 Ų | 199 | 146.9 Ų | 146.9 | 87% | 0.873 | 74% | 0.74 | S | S | * | * | | | trans | -73.7 | 104.2 | 150.1 | -76.8 | -88.5 | 0 | 0 | 0 | 106.3 | | |
| 72 | Y | 45.6 | Very low | 50.5 | Low | 295 Ų | 295 | 152.5 Ų | 152.5 | 100% | 1.157 | 75% | 0.752 | S | S | * | * | | | trans | -160.9 | 0 | 143.1 | -138.7 | -91.4 | 0 | 0 | 0 | 109.5 | Q70 | Q70-Y72 PolarHBondContact O-N 3.2Š|