| 1 | M | 35.1 | Very low | 41.9 | Very low | 225 Ų | 225 | 136.2 Ų | 136.2 | 100% | 1.108 | 78% | 0.779 | S | S | * | * | | | | 0 | 83.8 | 0 | -68 | 175.2 | 177.3 | 0 | 0 | 110 | | |
| 2 | E | 39 | Very low | 43.1 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | | | cis | -153.4 | 137.3 | -13.6 | -146.4 | 77 | 115.5 | 0 | 0 | 108.6 | H4 | E2-H4 PolarHBondContact O-N 3.49Š|
| 3 | Y | 38.8 | Very low | 44.2 | Very low | 224 Ų | 224 | 132.6 Ų | 132.6 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | | | trans | -83.5 | 112.5 | 174.4 | -84.6 | -97.1 | 0 | 0 | 0 | 109.3 | | |
| 4 | H | 48 | Very low | 45.6 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | -107.4 | 76.1 | 165.1 | -77.7 | -61.8 | 0 | 0 | 0 | 111 | E2 G6 | E2-H4 PolarHBondContact O-N 3.49Å; H4-G6 PolarHBondContact O-N 3.47Å |
| 5 | S | 49 | Very low | 47.3 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | | | trans | -56.4 | 130.5 | 149.2 | -64.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 6 | G | 35.8 | Very low | 48.9 | Very low | 57 Ų | 57 | 131.7 Ų | 131.7 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | | | trans | -163.9 | 57.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H4 S8 | H4-G6 PolarHBondContact O-N 3.47Å; G6-S8 PolarHBondContact O-N 2.82Å; G6-S8 VanDerWaalsContact O-N 3.11Å; G6-S8 PolarHBondContact O-OG 2.59Å |
| 7 | G | 46.6 | Very low | 50.6 | Low | 90 Ų | 90 | 133.1 Ų | 133.1 | 93% | 0.928 | 72% | 0.72 | S | S | * | * | | | trans | -53 | 118.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 8 | S | 38.9 | Very low | 52.3 | Low | 93 Ų | 93 | 125.7 Ų | 125.7 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | | | trans | -140.7 | 131.2 | -178.4 | 38.8 | 0 | 0 | 0 | 0 | 109.8 | G6 | G6-S8 PolarHBondContact O-N 2.82Å; G6-S8 VanDerWaalsContact O-N 3.11Å; G6-S8 PolarHBondContact O-OG 2.59Å |
| 9 | L | 41.2 | Very low | 53.6 | Low | 145 Ų | 145 | 124.4 Ų | 124.4 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | | | trans | -52.4 | 158.4 | 175.8 | -69.4 | 154.2 | 0 | 0 | 0 | 111.3 | L11 | L9-L11 PolarHBondContact O-N 3.4Š|
| 10 | P | 43.8 | Very low | 54.3 | Low | 126 Ų | 126 | 119.1 Ų | 119.1 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | | | trans | -68.7 | 75.2 | 173.2 | 30.7 | -35.8 | 0 | 0 | 0 | 111 | L12 | P10-L12 PolarHBondContact O-N 3.27Š|
| 11 | L | 45.1 | Very low | 54.9 | Low | 107 Ų | 107 | 116.6 Ų | 116.6 | 56% | 0.56 | 65% | 0.649 | S | S | * | * | | | trans | -68.1 | 101.1 | 172.4 | -68 | 177.3 | 0 | 0 | 0 | 108.9 | L9 G13 | L9-L11 PolarHBondContact O-N 3.4Å; L11-G13 PolarHBondContact O-N 3.4Å |
| 12 | L | 56.2 | Low | 56 | Low | 177 Ų | 177 | 110.8 Ų | 110.8 | 93% | 0.927 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.3 | 129.3 | 164.4 | -70.6 | 161.7 | 0 | 0 | 0 | 109.7 | P10 | P10-L12 PolarHBondContact O-N 3.27Š|
| 13 | G | 57.7 | Low | 57.1 | Low | 49 Ų | 49 | 109.2 Ų | 109.2 | 51% | 0.505 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 76.8 | 40.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | L11 P15 | L11-G13 PolarHBondContact O-N 3.4Å; G13-P15 WeakPolarHBondContact O-CD 3.42Å |
| 14 | R | 63.9 | Low | 57.9 | Low | 167 Ų | 167 | 105.8 Ų | 105.8 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | | | trans | -96.5 | 109.7 | 159.5 | -107.5 | -174.1 | 175 | -179.2 | -0.8 | 110.4 | R16 | R14-R16 PolarHBondContact O-N 3.34Š|
| 15 | P | 71 | Confident | 59 | Low | 67 Ų | 67 | 99.6 Ų | 99.6 | 44% | 0.435 | 61% | 0.613 | S | S | . | * | | | trans | -58.3 | 134.1 | -174 | -26.9 | 34.7 | 0 | 0 | 0 | 113.5 | G13 L28 C29 | G13-P15 WeakPolarHBondContact O-CD 3.42Å; P15-L28 HydrophobicContact CB-CD1 4.13Å; P15-L28 HydrophobicContact CB-CD2 3.83Å; P15-L28 HydrophobicContact CB-CG 3.89Å; P15-C29 CarbonylContact C-O 3.55Å; P15-C29 VanDerWaalsContact CA-O 3.24Å; P15-C29 WeakPolarHBondContact CA-O 3.15Å |
| 16 | R | 72.4 | Confident | 60.3 | Low | 149 Ų | 149 | 95.2 Ų | 95.2 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.6 | 178.4 | -61.4 | -57.4 | -173.1 | 157.2 | 2.8 | 110.5 | R14 C29 | R14-R16 PolarHBondContact O-N 3.34Å; R16-C29 PolarHBondContact N-O 3.42Å; R16-C29 PolarHBondContact O-N 3.33Å |
| 17 | Y | 78.5 | Confident | 62.3 | Low | 156 Ų | 156 | 94.9 Ų | 94.9 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.6 | 174.5 | -178.3 | -99.7 | 0 | 0 | 0 | 109.9 | G26 L28 | Y17-G26 WeakPolarHBondContact CE2-O 3.3Å; Y17-G26 WeakPolarHBondContact OH-CA 3.33Å; Y17-G26 PolarHBondContact OH-N 3.42Å; Y17-L28 HydrophobicContact CD2-CD1 4.43Å |
| 18 | C | 80.4 | Confident | 63.9 | Low | 0 Ų | 0 | 96 Ų | 96 | 0% | 0 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.6 | -174.7 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | G20 G26 Y27 C29 C34 | C18-G20 PolarHBondContact O-N 3.41Å; C18-G26 CarbonylContact O-C 3.38Å; C18-G26 WeakPolarHBondContact O-CA 3.3Å; C18-Y27 HydrophobicContact CB-CD1 4.23Å; C18-Y27 HydrophobicContact CB-CD2 3.74Å; C18-Y27 HydrophobicContact CB-CE1 3.92Å; C18-Y27 HydrophobicContact CB-CE2 3.38Å; C18-Y27 HydrophobicContact CB-CG 4.15Å; C18-Y27 VanDerWaalsContact CB-CZ 3.48Å; C18-Y27 PolarHBondContact N-O 2.99Å; C18-Y27 PolarHBondContact O-N 2.91Å; C18-C29 PolarHBondContact SG-SG 2.88Å; C18-C34 WeakPolarHBondContact CA-SG 3.34Å; C18-C34 HydrophobicContact CB-CB 3.63Å; C18-C34 WeakPolarHBondContact CB-SG 3.35Å; C18-C34 WeakPolarHBondContact SG-CA 3.47Å; C18-C34 WeakPolarHBondContact SG-CB 3.45Å; C18-C34 CovalentContact SG-SG 2.03Å; C18-C34 PolarHBondContact SG-SG 2.86Å |
| 19 | P | 76.3 | Confident | 65.9 | Low | 101 Ų | 101 | 91.6 Ų | 91.6 | 66% | 0.656 | 52% | 0.521 | S | S | * | . | | | trans | -65.8 | 123 | 175.5 | 27.8 | -32.9 | 0 | 0 | 0 | 109.8 | | |
| 20 | G | 68.6 | Low | 67.6 | Low | 17 Ų | 17 | 91.7 Ų | 91.7 | 18% | 0.175 | 52% | 0.518 | C | S | . | . | | | trans | -75.4 | 154.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C18 N22 | C18-G20 PolarHBondContact O-N 3.41Å; G20-N22 PolarHBondContact O-N 3.45Å |
| 21 | A | 67.5 | Low | 68.8 | Low | 68 Ų | 68 | 90.3 Ų | 90.3 | 56% | 0.562 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -67.8 | -13.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E37 | A21-E37 HydrophobicContact CB-CB 3.74Å; A21-E37 HydrophobicContact CB-CG 3.8Å |
| 22 | N | 56.4 | Low | 70.2 | Confident | 103 Ų | 103 | 86.3 Ų | 86.3 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -97 | 133.8 | 174.4 | 55 | -16.9 | 0 | 0 | 0 | 111.5 | G20 N24 | G20-N22 PolarHBondContact O-N 3.45Å; N22-N24 PolarHBondContact O-N 3.09Å |
| 23 | A | 63.2 | Low | 71.1 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 90% | 0.901 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 9.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 24 | N | 56.3 | Low | 72.1 | Confident | 153 Ų | 153 | 83 Ų | 83 | 82% | 0.818 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -2.1 | -170 | -64.4 | -8.8 | 0 | 0 | 0 | 113.8 | N22 | N22-N24 PolarHBondContact O-N 3.09Š|
| 25 | G | 70.4 | Confident | 72.6 | Confident | 41 Ų | 41 | 77.7 Ų | 77.7 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | | | trans | 161 | 139.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 26 | G | 76.3 | Confident | 72.5 | Confident | 24 Ų | 24 | 77.2 Ų | 77.2 | 25% | 0.247 | 46% | 0.459 | C | S | . | . | | | trans | -83.3 | 157.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y17 C18 | Y17-G26 WeakPolarHBondContact CE2-O 3.3Å; Y17-G26 WeakPolarHBondContact OH-CA 3.33Å; Y17-G26 PolarHBondContact OH-N 3.42Å; C18-G26 CarbonylContact O-C 3.38Å; C18-G26 WeakPolarHBondContact O-CA 3.3Å |
| 27 | Y | 76.9 | Confident | 72.2 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 20% | 0.2 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 153.8 | 177.1 | 57.8 | -87.8 | 0 | 0 | 0 | 110.9 | C18 C29 G36 G39 | C18-Y27 HydrophobicContact CB-CD1 4.23Å; C18-Y27 HydrophobicContact CB-CD2 3.74Å; C18-Y27 HydrophobicContact CB-CE1 3.92Å; C18-Y27 HydrophobicContact CB-CE2 3.38Å; C18-Y27 HydrophobicContact CB-CG 4.15Å; C18-Y27 VanDerWaalsContact CB-CZ 3.48Å; C18-Y27 PolarHBondContact N-O 2.99Å; C18-Y27 PolarHBondContact O-N 2.91Å; Y27-C29 VanDerWaalsContact CE2-SG 3.59Å; Y27-G36 PolarHBondContact OH-O 3.43Å; Y27-G39 WeakPolarHBondContact CE2-O 3.36Å; Y27-G39 PolarHBondContact OH-O 3.34Å; Y27-G39 VanDerWaalsContact OH-O 3.08Å |
| 28 | L | 81.4 | Confident | 71.5 | Confident | 113 Ų | 113 | 75.9 Ų | 75.9 | 59% | 0.592 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.5 | -178.8 | -165.2 | 78.3 | 0 | 0 | 0 | 110 | P15 Y17 | P15-L28 HydrophobicContact CB-CD1 4.13Å; P15-L28 HydrophobicContact CB-CD2 3.83Å; P15-L28 HydrophobicContact CB-CG 3.89Å; Y17-L28 HydrophobicContact CD2-CD1 4.43Å |
| 29 | C | 80.6 | Confident | 71 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.007 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 105.7 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | P15 R16 C18 Y27 C40 | P15-C29 CarbonylContact C-O 3.55Å; P15-C29 VanDerWaalsContact CA-O 3.24Å; P15-C29 WeakPolarHBondContact CA-O 3.15Å; R16-C29 PolarHBondContact N-O 3.42Å; R16-C29 PolarHBondContact O-N 3.33Å; C18-C29 PolarHBondContact SG-SG 2.88Å; Y27-C29 VanDerWaalsContact CE2-SG 3.59Å; C29-C40 WeakPolarHBondContact CA-SG 3.39Å; C29-C40 HydrophobicContact CB-CB 3.71Å; C29-C40 WeakPolarHBondContact CB-SG 3.49Å; C29-C40 VanDerWaalsContact SG-CA 3.5Å; C29-C40 WeakPolarHBondContact SG-CB 3.32Å; C29-C40 CovalentContact SG-SG 2.03Å; C29-C40 PolarHBondContact SG-SG 2.96Å |
| 30 | E | 77.6 | Confident | 71.2 | Confident | 147 Ų | 147 | 75 Ų | 75 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -72.3 | -40.2 | 176.9 | -168.9 | 162 | -142.1 | 0 | 0 | 111.7 | | |
| 31 | T | 68.6 | Low | 71.7 | Confident | 97 Ų | 97 | 76.9 Ų | 76.9 | 60% | 0.595 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -133.4 | 100.3 | 173.8 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | T42 | T31-T42 WeakPolarHBondContact O-CG2 3.24Š|
| 32 | G | 73.1 | Confident | 72.1 | Confident | 23 Ų | 23 | 78.2 Ų | 78.2 | 24% | 0.237 | 49% | 0.485 | C | S | . | . | S | Bend | trans | 137.2 | -172.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C41 | G32-C41 CarbonylContact C-O 3.34Å; G32-C41 VanDerWaalsContact CA-O 3.24Å; G32-C41 WeakPolarHBondContact CA-O 3.45Å |
| 33 | H | 76 | Confident | 72.6 | Confident | 92 Ų | 92 | 79.6 Ų | 79.6 | 43% | 0.426 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 156.6 | 178.4 | -68.8 | -71.8 | 0 | 0 | 0 | 112.2 | C35 C40 C41 Y43 | H33-C35 PolarHBondContact O-N 3.06Å; H33-C40 WeakPolarHBondContact O-CA 3.22Å; H33-C41 PolarHBondContact N-O 2.83Å; H33-C41 PolarHBondContact O-N 3.27Å; H33-Y43 AromaticContact CD2-CE2 3.65Å; H33-Y43 AromaticContact CD2-CZ 3.58Å; H33-Y43 AromaticContact NE2-CE2 3.38Å; H33-Y43 WeakPolarHBondContact NE2-CE2 3.04Å; H33-Y43 AromaticContact NE2-CZ 3.21Å; H33-Y43 PolarHBondContact NE2-OH 3.21Å |
| 34 | C | 78.1 | Confident | 72.7 | Confident | 64 Ų | 64 | 83.1 Ų | 83.1 | 43% | 0.432 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 117.4 | 175 | -49.4 | 0 | 0 | 0 | 0 | 110.3 | C18 | C18-C34 WeakPolarHBondContact CA-SG 3.34Å; C18-C34 HydrophobicContact CB-CB 3.63Å; C18-C34 WeakPolarHBondContact CB-SG 3.35Å; C18-C34 WeakPolarHBondContact SG-CA 3.47Å; C18-C34 WeakPolarHBondContact SG-CB 3.45Å; C18-C34 CovalentContact SG-SG 2.03Å; C18-C34 PolarHBondContact SG-SG 2.86Å |
| 35 | C | 75.5 | Confident | 73.2 | Confident | 55 Ų | 55 | 84.2 Ų | 84.2 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | | | trans | -125.8 | 73 | -165.1 | -158.3 | 0 | 0 | 0 | 0 | 110.8 | H33 G39 C41 | H33-C35 PolarHBondContact O-N 3.06Å; C35-G39 VanDerWaalsContact CB-O 3.29Å; C35-G39 WeakPolarHBondContact CB-O 3.41Å; C35-G39 PolarHBondContact N-O 3.3Å; C35-C41 HydrophobicContact CB-CB 3.4Å; C35-C41 VanDerWaalsContact CB-CB 3.4Å; C35-C41 WeakPolarHBondContact CB-SG 3.08Å; C35-C41 WeakPolarHBondContact SG-CB 3.37Å; C35-C41 CovalentContact SG-SG 2.03Å; C35-C41 PolarHBondContact SG-SG 3.32Å |
| 36 | G | 69.3 | Low | 73.2 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | -152.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y27 T38 | Y27-G36 PolarHBondContact OH-O 3.43Å; G36-T38 PolarHBondContact O-N 2.75Å |
| 37 | E | 64.7 | Low | 73.3 | Confident | 141 Ų | 141 | 90.9 Ų | 90.9 | 66% | 0.659 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17.7 | -162.2 | -61 | -169 | 151.5 | 0 | 0 | 114.8 | A21 | A21-E37 HydrophobicContact CB-CB 3.74Å; A21-E37 HydrophobicContact CB-CG 3.8Å |
| 38 | T | 64.3 | Low | 73.6 | Confident | 137 Ų | 137 | 96 Ų | 96 | 84% | 0.84 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -139.4 | 14.4 | -161.4 | 51.1 | 0 | 0 | 0 | 0 | 115.9 | G36 | G36-T38 PolarHBondContact O-N 2.75Š|
| 39 | G | 69.5 | Low | 73.9 | Confident | 26 Ų | 26 | 97 Ų | 97 | 27% | 0.268 | 50% | 0.5 | S | S | . | . | | | trans | -172.5 | 162.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | Y27 C35 | Y27-G39 WeakPolarHBondContact CE2-O 3.36Å; Y27-G39 PolarHBondContact OH-O 3.34Å; Y27-G39 VanDerWaalsContact OH-O 3.08Å; C35-G39 VanDerWaalsContact CB-O 3.29Å; C35-G39 WeakPolarHBondContact CB-O 3.41Å; C35-G39 PolarHBondContact N-O 3.3Å |
| 40 | C | 80.6 | Confident | 74.3 | Confident | 55 Ų | 55 | 101 Ų | 101 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 113.1 | 168.8 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | C29 H33 | C29-C40 WeakPolarHBondContact CA-SG 3.39Å; C29-C40 HydrophobicContact CB-CB 3.71Å; C29-C40 WeakPolarHBondContact CB-SG 3.49Å; C29-C40 VanDerWaalsContact SG-CA 3.5Å; C29-C40 WeakPolarHBondContact SG-CB 3.32Å; C29-C40 CovalentContact SG-SG 2.03Å; C29-C40 PolarHBondContact SG-SG 2.96Å; H33-C40 WeakPolarHBondContact O-CA 3.22Å |
| 41 | C | 79.4 | Confident | 74.9 | Confident | 58 Ų | 58 | 101.3 Ų | 101.3 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.5 | 170.5 | -73.7 | 0 | 0 | 0 | 0 | 109.4 | G32 H33 C35 | G32-C41 CarbonylContact C-O 3.34Å; G32-C41 VanDerWaalsContact CA-O 3.24Å; G32-C41 WeakPolarHBondContact CA-O 3.45Å; H33-C41 PolarHBondContact N-O 2.83Å; H33-C41 PolarHBondContact O-N 3.27Å; C35-C41 HydrophobicContact CB-CB 3.4Å; C35-C41 VanDerWaalsContact CB-CB 3.4Å; C35-C41 WeakPolarHBondContact CB-SG 3.08Å; C35-C41 WeakPolarHBondContact SG-CB 3.37Å; C35-C41 CovalentContact SG-SG 2.03Å; C35-C41 PolarHBondContact SG-SG 3.32Å |
| 42 | T | 75.1 | Confident | 76.1 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | | | trans | -64.6 | 156.5 | 153.4 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | T31 Y44 | T31-T42 WeakPolarHBondContact O-CG2 3.24Å; T42-Y44 PolarHBondContact O-N 2.93Å |
| 43 | Y | 67.4 | Low | 77.1 | Confident | 131 Ų | 131 | 104.3 Ų | 104.3 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | | | trans | -68.7 | 98.4 | 175.2 | -71.2 | -89.5 | 0 | 0 | 0 | 110 | H33 Y45 E46 | H33-Y43 AromaticContact CD2-CE2 3.65Å; H33-Y43 AromaticContact CD2-CZ 3.58Å; H33-Y43 AromaticContact NE2-CE2 3.38Å; H33-Y43 WeakPolarHBondContact NE2-CE2 3.04Å; H33-Y43 AromaticContact NE2-CZ 3.21Å; H33-Y43 PolarHBondContact NE2-OH 3.21Å; Y43-Y45 PolarHBondContact O-N 3.15Å; Y43-E46 HydrophobicContact CG-CG 4.3Å; Y43-E46 WeakPolarHBondContact O-CB 3.34Å; Y43-E46 PolarHBondContact O-N 2.75Å |
| 44 | Y | 65.6 | Low | 78 | Confident | 184 Ų | 184 | 106.7 Ų | 106.7 | 72% | 0.722 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -55.4 | -30.6 | 168.8 | -175.2 | -100.4 | 0 | 0 | 0 | 111.5 | T42 E46 L47 | T42-Y44 PolarHBondContact O-N 2.93Å; Y44-E46 PolarHBondContact O-N 3.23Å; Y44-E46 VanDerWaalsContact O-N 3.12Å; Y44-L47 PolarHBondContact O-N 3.17Å |
| 45 | Y | 67.1 | Low | 78.9 | Confident | 175 Ų | 175 | 107.4 Ų | 107.4 | 69% | 0.686 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -72.7 | 17.2 | 171.8 | -46.2 | -72.5 | 0 | 0 | 0 | 115 | Y43 W48 | Y43-Y45 PolarHBondContact O-N 3.15Å; Y45-W48 PolarHBondContact O-NE1 2.75Å |
| 46 | E | 71.1 | Confident | 79.9 | Confident | 107 Ų | 107 | 108.4 Ų | 108.4 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -102.2 | -6.3 | 165.5 | -68.1 | -67.7 | 172.8 | 0 | 0 | 112.6 | Y43 Y44 W49 | Y43-E46 HydrophobicContact CG-CG 4.3Å; Y43-E46 WeakPolarHBondContact O-CB 3.34Å; Y43-E46 PolarHBondContact O-N 2.75Å; Y44-E46 PolarHBondContact O-N 3.23Å; Y44-E46 VanDerWaalsContact O-N 3.12Å; E46-W49 PolarHBondContact O-NE1 3.14Å |
| 47 | L | 76.7 | Confident | 81.2 | Confident | 98 Ų | 98 | 111.2 Ų | 111.2 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -102.4 | -14 | 174.5 | -76.2 | 71.8 | 0 | 0 | 0 | 112.3 | Y44 W49 F50 W51 | Y44-L47 PolarHBondContact O-N 3.17Å; L47-W49 VanDerWaalsContact C-N 3.31Å; L47-W49 PolarHBondContact O-N 3.38Å; L47-F50 WeakPolarHBondContact O-CB 3.22Å; L47-F50 PolarHBondContact O-N 3.23Å; L47-F50 VanDerWaalsContact O-N 3.16Å; L47-W51 PolarHBondContact O-N 3.22Å; L47-W51 VanDerWaalsContact O-N 3.17Å |
| 48 | W | 84.4 | Confident | 82.7 | Confident | 160 Ų | 160 | 109 Ų | 109 | 61% | 0.606 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.9 | -37.3 | -177.8 | 80.1 | -59.8 | 0 | 0 | 0 | 113.4 | Y45 F50 W51 L52 | Y45-W48 PolarHBondContact O-NE1 2.75Å; W48-F50 VanDerWaalsContact C-N 3.35Å; W48-W51 PolarHBondContact O-N 3.4Å; W48-L52 HydrophobicContact CZ3-CD1 4.13Å; W48-L52 WeakPolarHBondContact O-CB 3.41Å; W48-L52 PolarHBondContact O-N 3.36Å |
| 49 | W | 87.8 | Confident | 84.3 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.7 | -29.6 | 180 | 67.2 | -99.8 | 0 | 0 | 0 | 111.8 | E46 L47 L52 L53 | E46-W49 PolarHBondContact O-NE1 3.14Å; L47-W49 VanDerWaalsContact C-N 3.31Å; L47-W49 PolarHBondContact O-N 3.38Å; W49-L52 WeakPolarHBondContact O-CB 3.27Å; W49-L52 PolarHBondContact O-N 2.78Å; W49-L53 VanDerWaalsContact O-CB 3.29Å; W49-L53 WeakPolarHBondContact O-CB 3.37Å; W49-L53 PolarHBondContact O-N 2.99Å |
| 50 | F | 87.7 | Confident | 85.6 | Confident | 86 Ų | 86 | 113.4 Ų | 113.4 | 38% | 0.377 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 170.8 | 170.5 | -90 | 0 | 0 | 0 | 110.3 | L47 W48 L53 W54 | L47-F50 WeakPolarHBondContact O-CB 3.22Å; L47-F50 PolarHBondContact O-N 3.23Å; L47-F50 VanDerWaalsContact O-N 3.16Å; W48-F50 VanDerWaalsContact C-N 3.35Å; F50-L53 PolarHBondContact O-N 3.05Å; F50-W54 AromaticContact CE1-CD1 3.88Å; F50-W54 HydrophobicContact CE1-CG 4.36Å; F50-W54 AromaticContact CE2-CD1 3.64Å; F50-W54 AromaticContact CE2-NE1 3.41Å; F50-W54 AromaticContact CZ-CD1 3.54Å; F50-W54 AromaticContact CZ-CE2 3.92Å; F50-W54 HydrophobicContact CZ-CG 4.32Å; F50-W54 AromaticContact CZ-NE1 3.25Å; F50-W54 VanDerWaalsContact CZ-NE1 3.25Å; F50-W54 WeakPolarHBondContact O-CB 3.47Å; F50-W54 PolarHBondContact O-N 2.83Å |
| 51 | W | 90.8 | Very high | 86.4 | Confident | 153 Ų | 153 | 114.2 Ų | 114.2 | 58% | 0.58 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 173.1 | -64.4 | 114.3 | 0 | 0 | 0 | 112.5 | L47 W48 T55 | L47-W51 PolarHBondContact O-N 3.22Å; L47-W51 VanDerWaalsContact O-N 3.17Å; W48-W51 PolarHBondContact O-N 3.4Å; W51-T55 WeakPolarHBondContact O-CB 3.39Å; W51-T55 WeakPolarHBondContact O-CG2 3.49Å; W51-T55 PolarHBondContact O-N 3.22Å; W51-T55 PolarHBondContact O-OG1 2.51Å |
| 52 | L | 93 | Very high | 87.2 | Confident | 83 Ų | 83 | 115.2 Ų | 115.2 | 44% | 0.435 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -54.4 | 174.1 | -161.5 | 178.2 | 0 | 0 | 0 | 110.2 | W48 W49 W54 T55 V56 | W48-L52 HydrophobicContact CZ3-CD1 4.13Å; W48-L52 WeakPolarHBondContact O-CB 3.41Å; W48-L52 PolarHBondContact O-N 3.36Å; W49-L52 WeakPolarHBondContact O-CB 3.27Å; W49-L52 PolarHBondContact O-N 2.78Å; L52-W54 VanDerWaalsContact C-N 3.34Å; L52-W54 PolarHBondContact O-N 3Å; L52-T55 PolarHBondContact O-N 3.36Å; L52-T55 PolarHBondContact O-OG1 3.36Å; L52-V56 HydrophobicContact CD2-CG2 3.71Å; L52-V56 WeakPolarHBondContact O-CG2 3.42Å; L52-V56 PolarHBondContact O-N 3.34Å |
| 53 | L | 94.5 | Very high | 88.2 | Confident | 99 Ų | 99 | 114 Ų | 114 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 178.8 | -175.9 | 63 | 0 | 0 | 0 | 112.2 | W49 F50 V56 L57 | W49-L53 VanDerWaalsContact O-CB 3.29Å; W49-L53 WeakPolarHBondContact O-CB 3.37Å; W49-L53 PolarHBondContact O-N 2.99Å; F50-L53 PolarHBondContact O-N 3.05Å; L53-V56 PolarHBondContact O-N 3.33Å; L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.11Å; L53-L57 PolarHBondContact O-N 3.4Å |
| 54 | W | 95.8 | Very high | 89.5 | Confident | 143 Ų | 143 | 110.4 Ų | 110.4 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.1 | -98.7 | 67.9 | 0 | 0 | 0 | 112.6 | F50 L52 L57 I58 | F50-W54 AromaticContact CE1-CD1 3.88Å; F50-W54 HydrophobicContact CE1-CG 4.36Å; F50-W54 AromaticContact CE2-CD1 3.64Å; F50-W54 AromaticContact CE2-NE1 3.41Å; F50-W54 AromaticContact CZ-CD1 3.54Å; F50-W54 AromaticContact CZ-CE2 3.92Å; F50-W54 HydrophobicContact CZ-CG 4.32Å; F50-W54 AromaticContact CZ-NE1 3.25Å; F50-W54 VanDerWaalsContact CZ-NE1 3.25Å; F50-W54 WeakPolarHBondContact O-CB 3.47Å; F50-W54 PolarHBondContact O-N 2.83Å; L52-W54 VanDerWaalsContact C-N 3.34Å; L52-W54 PolarHBondContact O-N 3Å; W54-L57 PolarHBondContact O-N 2.91Å; W54-I58 HydrophobicContact CE3-CD1 3.84Å; W54-I58 HydrophobicContact CZ3-CD1 4.36Å; W54-I58 WeakPolarHBondContact O-CB 3.32Å; W54-I58 VanDerWaalsContact O-CG1 3.28Å; W54-I58 WeakPolarHBondContact O-CG1 3.36Å; W54-I58 PolarHBondContact O-N 2.8Å |
| 55 | T | 96.3 | Very high | 91 | Very high | 78 Ų | 78 | 104.4 Ų | 104.4 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 178.2 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | W51 L52 L59 | W51-T55 WeakPolarHBondContact O-CB 3.39Å; W51-T55 WeakPolarHBondContact O-CG2 3.49Å; W51-T55 PolarHBondContact O-N 3.22Å; W51-T55 PolarHBondContact O-OG1 2.51Å; L52-T55 PolarHBondContact O-N 3.36Å; L52-T55 PolarHBondContact O-OG1 3.36Å; T55-L59 VanDerWaalsContact O-CB 3.24Å; T55-L59 WeakPolarHBondContact O-CB 3.29Å; T55-L59 WeakPolarHBondContact O-CD1 3.46Å; T55-L59 WeakPolarHBondContact O-CG 3.47Å; T55-L59 PolarHBondContact O-N 3.43Å |
| 56 | V | 96.7 | Very high | 92.3 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 174.7 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | L52 L53 L59 F60 | L52-V56 HydrophobicContact CD2-CG2 3.71Å; L52-V56 WeakPolarHBondContact O-CG2 3.42Å; L52-V56 PolarHBondContact O-N 3.34Å; L53-V56 PolarHBondContact O-N 3.33Å; V56-L59 PolarHBondContact O-N 2.82Å; V56-F60 WeakPolarHBondContact O-CB 3.19Å; V56-F60 PolarHBondContact O-N 2.84Å |
| 57 | L | 96.4 | Very high | 93.4 | Very high | 116 Ų | 116 | 106.5 Ų | 106.5 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | 178 | -171.5 | 155.2 | 0 | 0 | 0 | 111.6 | L53 W54 F60 S61 | L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.11Å; L53-L57 PolarHBondContact O-N 3.4Å; W54-L57 PolarHBondContact O-N 2.91Å; L57-F60 PolarHBondContact O-N 3.02Å; L57-S61 WeakPolarHBondContact O-CB 3.46Å; L57-S61 PolarHBondContact O-N 3.4Å |
| 58 | I | 96.7 | Very high | 94.2 | Very high | 93 Ų | 93 | 106.9 Ų | 106.9 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 174.9 | -70.6 | 168.2 | 0 | 0 | 0 | 110.9 | W54 C62 | W54-I58 HydrophobicContact CE3-CD1 3.84Å; W54-I58 HydrophobicContact CZ3-CD1 4.36Å; W54-I58 WeakPolarHBondContact O-CB 3.32Å; W54-I58 VanDerWaalsContact O-CG1 3.28Å; W54-I58 WeakPolarHBondContact O-CG1 3.36Å; W54-I58 PolarHBondContact O-N 2.8Å; I58-C62 WeakPolarHBondContact O-CB 3.32Å; I58-C62 PolarHBondContact O-N 2.83Å |
| 59 | L | 96.7 | Very high | 94.6 | Very high | 109 Ų | 109 | 107.8 Ų | 107.8 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 176.4 | -76.2 | 169.5 | 0 | 0 | 0 | 111.8 | T55 V56 C62 C63 | T55-L59 VanDerWaalsContact O-CB 3.24Å; T55-L59 WeakPolarHBondContact O-CB 3.29Å; T55-L59 WeakPolarHBondContact O-CD1 3.46Å; T55-L59 WeakPolarHBondContact O-CG 3.47Å; T55-L59 PolarHBondContact O-N 3.43Å; V56-L59 PolarHBondContact O-N 2.82Å; L59-C62 PolarHBondContact O-N 3.48Å; L59-C63 WeakPolarHBondContact O-CB 3.48Å; L59-C63 PolarHBondContact O-N 3.34Å; L59-C63 PolarHBondContact O-SG 3.24Å |
| 60 | F | 96.9 | Very high | 94.7 | Very high | 147 Ų | 147 | 107.1 Ų | 107.1 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -48.4 | 176.8 | -176.3 | -102.5 | 0 | 0 | 0 | 111.4 | V56 L57 C62 C63 C64 | V56-F60 WeakPolarHBondContact O-CB 3.19Å; V56-F60 PolarHBondContact O-N 2.84Å; L57-F60 PolarHBondContact O-N 3.02Å; F60-C62 PolarHBondContact O-N 3.22Å; F60-C63 PolarHBondContact O-N 3.06Å; F60-C64 WeakPolarHBondContact O-CB 3.37Å; F60-C64 PolarHBondContact O-N 3.26Å; F60-C64 PolarHBondContact O-SG 2.81Å; F60-C64 VanDerWaalsContact O-SG 3.33Å |
| 61 | S | 97.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 105.1 Ų | 105.1 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | L57 C63 C64 A65 | L57-S61 WeakPolarHBondContact O-CB 3.46Å; L57-S61 PolarHBondContact O-N 3.4Å; S61-C63 PolarHBondContact O-N 2.83Å; S61-C64 PolarHBondContact O-N 2.84Å; S61-A65 WeakPolarHBondContact O-CB 3.24Å; S61-A65 PolarHBondContact O-N 2.95Å |
| 62 | C | 96.9 | Very high | 94.7 | Very high | 80 Ų | 80 | 103.8 Ų | 103.8 | 54% | 0.541 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.5 | -173 | 0 | 0 | 0 | 0 | 112.2 | I58 L59 F60 A65 Y66 | I58-C62 WeakPolarHBondContact O-CB 3.32Å; I58-C62 PolarHBondContact O-N 2.83Å; L59-C62 PolarHBondContact O-N 3.48Å; F60-C62 PolarHBondContact O-N 3.22Å; C62-A65 PolarHBondContact O-N 3.08Å; C62-Y66 WeakPolarHBondContact O-CB 3.21Å; C62-Y66 PolarHBondContact O-N 3.46Å |
| 63 | C | 96.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 103.7 Ų | 103.7 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 176.9 | -80.6 | 0 | 0 | 0 | 0 | 112.6 | L59 F60 S61 Y66 R67 | L59-C63 WeakPolarHBondContact O-CB 3.48Å; L59-C63 PolarHBondContact O-N 3.34Å; L59-C63 PolarHBondContact O-SG 3.24Å; F60-C63 PolarHBondContact O-N 3.06Å; S61-C63 PolarHBondContact O-N 2.83Å; C63-Y66 PolarHBondContact O-N 3.21Å; C63-R67 WeakPolarHBondContact O-CB 3.43Å; C63-R67 WeakPolarHBondContact O-CG 3.3Å; C63-R67 PolarHBondContact O-N 3.42Å |
| 64 | C | 94.8 | Very high | 93.8 | Very high | 56 Ų | 56 | 105.4 Ų | 105.4 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -49.1 | 174.9 | -70.9 | 0 | 0 | 0 | 0 | 111 | F60 S61 Y66 R67 H68 | F60-C64 WeakPolarHBondContact O-CB 3.37Å; F60-C64 PolarHBondContact O-N 3.26Å; F60-C64 PolarHBondContact O-SG 2.81Å; F60-C64 VanDerWaalsContact O-SG 3.33Å; S61-C64 PolarHBondContact O-N 2.84Å; C64-Y66 VanDerWaalsContact C-N 3.3Å; C64-Y66 PolarHBondContact O-N 3.49Å; C64-R67 PolarHBondContact O-N 3.37Å; C64-H68 WeakPolarHBondContact O-CB 3.43Å; C64-H68 PolarHBondContact O-N 2.87Å |
| 65 | A | 96.5 | Very high | 93.1 | Very high | 58 Ų | 58 | 102.7 Ų | 102.7 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S61 C62 R69 | S61-A65 WeakPolarHBondContact O-CB 3.24Å; S61-A65 PolarHBondContact O-N 2.95Å; C62-A65 PolarHBondContact O-N 3.08Å; A65-R69 WeakPolarHBondContact O-CB 3.34Å; A65-R69 PolarHBondContact O-N 3.34Å |
| 66 | Y | 95.4 | Very high | 92.4 | Very high | 133 Ų | 133 | 105.1 Ų | 105.1 | 52% | 0.522 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 176.4 | 176.8 | -102.8 | 0 | 0 | 0 | 112.8 | C62 C63 C64 R69 R70 | C62-Y66 WeakPolarHBondContact O-CB 3.21Å; C62-Y66 PolarHBondContact O-N 3.46Å; C63-Y66 PolarHBondContact O-N 3.21Å; C64-Y66 VanDerWaalsContact C-N 3.3Å; C64-Y66 PolarHBondContact O-N 3.49Å; Y66-R69 PolarHBondContact O-N 2.85Å; Y66-R70 WeakPolarHBondContact O-CB 3.4Å; Y66-R70 PolarHBondContact O-N 2.95Å; Y66-R70 PolarHBondContact OH-NH1 3.25Å |
| 67 | R | 94 | Very high | 91.5 | Very high | 194 Ų | 194 | 107.4 Ų | 107.4 | 73% | 0.732 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.5 | -46.8 | 175.2 | -80.2 | -174.8 | 69.4 | 161.9 | -0.2 | 110.9 | C63 C64 R70 A71 | C63-R67 WeakPolarHBondContact O-CB 3.43Å; C63-R67 WeakPolarHBondContact O-CG 3.3Å; C63-R67 PolarHBondContact O-N 3.42Å; C64-R67 PolarHBondContact O-N 3.37Å; R67-R70 CarbonylContact O-C 3.55Å; R67-R70 PolarHBondContact O-N 3.39Å; R67-A71 WeakPolarHBondContact O-CB 3.32Å; R67-A71 PolarHBondContact O-N 2.85Å |
| 68 | H | 92.9 | Very high | 90.7 | Very high | 106 Ų | 106 | 107.3 Ų | 107.3 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 176.5 | 172 | -141.8 | 0 | 0 | 0 | 111.9 | C64 R70 A71 K72 | C64-H68 WeakPolarHBondContact O-CB 3.43Å; C64-H68 PolarHBondContact O-N 2.87Å; H68-R70 VanDerWaalsContact C-N 3.34Å; H68-R70 PolarHBondContact O-N 2.99Å; H68-A71 PolarHBondContact O-N 3.41Å; H68-K72 WeakPolarHBondContact NE2-CD 3.34Å; H68-K72 WeakPolarHBondContact NE2-CE 3.36Å; H68-K72 PolarHBondContact NE2-NZ 2.94Å; H68-K72 PolarHBondContact O-N 3.27Å |
| 69 | R | 92.9 | Very high | 90 | Very high | 179 Ų | 179 | 108 Ų | 108 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 174 | -173.2 | 176.4 | -177.2 | 179.2 | 2.3 | 111.8 | A65 Y66 K72 L73 | A65-R69 WeakPolarHBondContact O-CB 3.34Å; A65-R69 PolarHBondContact O-N 3.34Å; Y66-R69 PolarHBondContact O-N 2.85Å; R69-K72 PolarHBondContact O-N 2.86Å; R69-L73 HydrophobicContact CG-CD1 4.1Å; R69-L73 WeakPolarHBondContact O-CB 3.21Å; R69-L73 VanDerWaalsContact O-CG 3.23Å; R69-L73 WeakPolarHBondContact O-CG 3.17Å; R69-L73 PolarHBondContact O-N 3.35Å |
| 70 | R | 90.3 | Very high | 89.3 | Confident | 118 Ų | 118 | 111.1 Ų | 111.1 | 45% | 0.445 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.2 | -30.7 | 178.6 | -170 | 169.6 | 179.9 | 176.1 | -6.2 | 112.6 | Y66 R67 H68 R74 | Y66-R70 WeakPolarHBondContact O-CB 3.4Å; Y66-R70 PolarHBondContact O-N 2.95Å; Y66-R70 PolarHBondContact OH-NH1 3.25Å; R67-R70 CarbonylContact O-C 3.55Å; R67-R70 PolarHBondContact O-N 3.39Å; H68-R70 VanDerWaalsContact C-N 3.34Å; H68-R70 PolarHBondContact O-N 2.99Å; R70-R74 VanDerWaalsContact O-CG 3.3Å; R70-R74 WeakPolarHBondContact O-CG 3.23Å; R70-R74 PolarHBondContact O-N 2.84Å; R70-R74 VanDerWaalsContact O-N 3.1Å |
| 71 | A | 90.5 | Very high | 88.6 | Confident | 45 Ų | 45 | 110.6 Ų | 110.6 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -52.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R67 H68 L73 R74 V75 | R67-A71 WeakPolarHBondContact O-CB 3.32Å; R67-A71 PolarHBondContact O-N 2.85Å; H68-A71 PolarHBondContact O-N 3.41Å; A71-L73 VanDerWaalsContact C-N 3.3Å; A71-L73 PolarHBondContact O-N 3.05Å; A71-R74 WeakPolarHBondContact O-CB 3.18Å; A71-R74 PolarHBondContact O-N 2.81Å; A71-V75 PolarHBondContact O-N 3.3Å |
| 72 | K | 88.5 | Confident | 88 | Confident | 124 Ų | 124 | 116.2 Ų | 116.2 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.4 | -40.2 | 176.4 | -78 | -179 | 165.4 | 166.1 | 0 | 112.7 | H68 R69 V75 Q76 | H68-K72 WeakPolarHBondContact NE2-CD 3.34Å; H68-K72 WeakPolarHBondContact NE2-CE 3.36Å; H68-K72 PolarHBondContact NE2-NZ 2.94Å; H68-K72 PolarHBondContact O-N 3.27Å; R69-K72 PolarHBondContact O-N 2.86Å; K72-V75 PolarHBondContact O-N 2.86Å; K72-Q76 WeakPolarHBondContact O-CB 3.4Å; K72-Q76 WeakPolarHBondContact O-CG 3.31Å; K72-Q76 PolarHBondContact O-N 2.84Å |
| 73 | L | 85.6 | Confident | 87.6 | Confident | 81 Ų | 81 | 116.8 Ų | 116.8 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 173.7 | -74.5 | 169.7 | 0 | 0 | 0 | 113.3 | R69 A71 Q77 | R69-L73 HydrophobicContact CG-CD1 4.1Å; R69-L73 WeakPolarHBondContact O-CB 3.21Å; R69-L73 VanDerWaalsContact O-CG 3.23Å; R69-L73 WeakPolarHBondContact O-CG 3.17Å; R69-L73 PolarHBondContact O-N 3.35Å; A71-L73 VanDerWaalsContact C-N 3.3Å; A71-L73 PolarHBondContact O-N 3.05Å; L73-Q77 WeakPolarHBondContact O-CB 3.39Å; L73-Q77 VanDerWaalsContact O-CG 3.24Å; L73-Q77 WeakPolarHBondContact O-CG 3.36Å; L73-Q77 PolarHBondContact O-N 2.82Å |
| 74 | R | 81.4 | Confident | 87.1 | Confident | 135 Ų | 135 | 118 Ų | 118 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 173.9 | -76.6 | 170 | 178.1 | 139.6 | -13.1 | 111.6 | R70 A71 Q77 Q78 | R70-R74 VanDerWaalsContact O-CG 3.3Å; R70-R74 WeakPolarHBondContact O-CG 3.23Å; R70-R74 PolarHBondContact O-N 2.84Å; R70-R74 VanDerWaalsContact O-N 3.1Å; A71-R74 WeakPolarHBondContact O-CB 3.18Å; A71-R74 PolarHBondContact O-N 2.81Å; R74-Q77 PolarHBondContact O-N 3.29Å; R74-Q78 WeakPolarHBondContact O-CB 3.24Å; R74-Q78 WeakPolarHBondContact O-CG 3.28Å; R74-Q78 PolarHBondContact O-N 3.33Å |
| 75 | V | 82.9 | Confident | 86.8 | Confident | 87 Ų | 87 | 117.8 Ų | 117.8 | 53% | 0.527 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 178 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | A71 K72 Q77 Q78 Q79 | A71-V75 PolarHBondContact O-N 3.3Å; K72-V75 PolarHBondContact O-N 2.86Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-Q77 PolarHBondContact O-N 2.89Å; V75-Q78 PolarHBondContact O-N 2.87Å; V75-Q79 WeakPolarHBondContact O-CB 3.21Å; V75-Q79 PolarHBondContact O-N 3.3Å |
| 76 | Q | 80.1 | Confident | 86.3 | Confident | 129 Ų | 129 | 119.7 Ų | 119.7 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.9 | -38.3 | 174.9 | -74.2 | -179.4 | -19.4 | 0 | 0 | 112.9 | K72 R80 | K72-Q76 WeakPolarHBondContact O-CB 3.4Å; K72-Q76 WeakPolarHBondContact O-CG 3.31Å; K72-Q76 PolarHBondContact O-N 2.84Å; Q76-R80 VanDerWaalsContact O-CB 3.27Å; Q76-R80 WeakPolarHBondContact O-CB 3.29Å; Q76-R80 PolarHBondContact O-N 3.26Å |
| 77 | Q | 78 | Confident | 85.9 | Confident | 125 Ų | 125 | 119 Ų | 119 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 174.2 | -78.3 | 175.8 | -10.7 | 0 | 0 | 112.1 | L73 R74 V75 Q81 | L73-Q77 WeakPolarHBondContact O-CB 3.39Å; L73-Q77 VanDerWaalsContact O-CG 3.24Å; L73-Q77 WeakPolarHBondContact O-CG 3.36Å; L73-Q77 PolarHBondContact O-N 2.82Å; R74-Q77 PolarHBondContact O-N 3.29Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-Q77 PolarHBondContact O-N 2.89Å; Q77-Q81 VanDerWaalsContact O-CB 3.32Å; Q77-Q81 WeakPolarHBondContact O-CB 3.45Å; Q77-Q81 WeakPolarHBondContact O-CG 3.17Å; Q77-Q81 PolarHBondContact O-N 2.96Å |
| 78 | Q | 79.6 | Confident | 85.6 | Confident | 113 Ų | 113 | 112.6 Ų | 112.6 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.4 | -76.3 | -178.5 | -10.1 | 0 | 0 | 111.9 | R74 V75 Q81 R82 | R74-Q78 WeakPolarHBondContact O-CB 3.24Å; R74-Q78 WeakPolarHBondContact O-CG 3.28Å; R74-Q78 PolarHBondContact O-N 3.33Å; V75-Q78 PolarHBondContact O-N 2.87Å; Q78-Q81 PolarHBondContact O-N 3.29Å; Q78-R82 WeakPolarHBondContact O-CG 3.35Å; Q78-R82 PolarHBondContact O-N 3.43Å |
| 79 | Q | 81.8 | Confident | 85 | Confident | 109 Ų | 109 | 115.4 Ų | 115.4 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -48.9 | 176 | 177.5 | 168.2 | -15.1 | 0 | 0 | 110.9 | V75 Q81 R82 E83 | V75-Q79 WeakPolarHBondContact O-CB 3.21Å; V75-Q79 PolarHBondContact O-N 3.3Å; Q79-Q81 VanDerWaalsContact C-N 3.26Å; Q79-Q81 PolarHBondContact O-N 2.8Å; Q79-R82 WeakPolarHBondContact O-CB 3.42Å; Q79-R82 PolarHBondContact O-N 3.26Å; Q79-E83 HydrophobicContact CG-CG 4.48Å; Q79-E83 VanDerWaalsContact CG-OE1 3.22Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.49Å; Q79-E83 PolarHBondContact NE2-OE1 3.35Å; Q79-E83 WeakPolarHBondContact O-CG 3.49Å; Q79-E83 PolarHBondContact O-N 2.89Å |
| 80 | R | 81.8 | Confident | 84.5 | Confident | 173 Ų | 173 | 113.1 Ų | 113.1 | 65% | 0.653 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -33.4 | 176.1 | -165.2 | -178.2 | -176 | -150.9 | 0.8 | 112.3 | Q76 I84 | Q76-R80 VanDerWaalsContact O-CB 3.27Å; Q76-R80 WeakPolarHBondContact O-CB 3.29Å; Q76-R80 PolarHBondContact O-N 3.26Å; R80-I84 HydrophobicContact CG-CD1 3.96Å; R80-I84 WeakPolarHBondContact O-CB 3.2Å; R80-I84 WeakPolarHBondContact O-CD1 3.47Å; R80-I84 WeakPolarHBondContact O-CG1 3.5Å; R80-I84 PolarHBondContact O-N 3.47Å |
| 81 | Q | 82.4 | Confident | 84.2 | Confident | 137 Ų | 137 | 109.8 Ų | 109.8 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.3 | -36.7 | 172.4 | -80.4 | -175.7 | -17.4 | 0 | 0 | 112.8 | Q77 Q78 Q79 S85 | Q77-Q81 VanDerWaalsContact O-CB 3.32Å; Q77-Q81 WeakPolarHBondContact O-CB 3.45Å; Q77-Q81 WeakPolarHBondContact O-CG 3.17Å; Q77-Q81 PolarHBondContact O-N 2.96Å; Q78-Q81 PolarHBondContact O-N 3.29Å; Q79-Q81 VanDerWaalsContact C-N 3.26Å; Q79-Q81 PolarHBondContact O-N 2.8Å; Q81-S85 WeakPolarHBondContact O-CB 3.38Å; Q81-S85 PolarHBondContact O-N 3.1Å |
| 82 | R | 85.1 | Confident | 83.3 | Confident | 189 Ų | 189 | 111 Ų | 111 | 71% | 0.713 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 171.4 | -73.9 | 176.9 | -177.8 | -170.9 | 2.4 | 110.9 | Q78 Q79 S85 L86 | Q78-R82 WeakPolarHBondContact O-CG 3.35Å; Q78-R82 PolarHBondContact O-N 3.43Å; Q79-R82 WeakPolarHBondContact O-CB 3.42Å; Q79-R82 PolarHBondContact O-N 3.26Å; R82-S85 PolarHBondContact O-N 2.82Å; R82-L86 VanDerWaalsContact O-CB 3.24Å; R82-L86 WeakPolarHBondContact O-CB 3.24Å; R82-L86 PolarHBondContact O-N 2.89Å |
| 83 | E | 88.5 | Confident | 82.1 | Confident | 92 Ų | 92 | 110.9 Ų | 110.9 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -47 | 176.1 | -70.5 | 164.1 | -173.5 | 0 | 0 | 112.1 | Q79 L86 L87 | Q79-E83 HydrophobicContact CG-CG 4.48Å; Q79-E83 VanDerWaalsContact CG-OE1 3.22Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.49Å; Q79-E83 PolarHBondContact NE2-OE1 3.35Å; Q79-E83 WeakPolarHBondContact O-CG 3.49Å; Q79-E83 PolarHBondContact O-N 2.89Å; E83-L86 PolarHBondContact O-N 3.46Å; E83-L87 WeakPolarHBondContact O-CB 3.5Å; E83-L87 WeakPolarHBondContact O-CG 3.48Å; E83-L87 PolarHBondContact O-N 3.02Å |
| 84 | I | 86.5 | Confident | 80.7 | Confident | 95 Ų | 95 | 111 Ų | 111 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -38.7 | 175.6 | -70.5 | 167.3 | 0 | 0 | 0 | 111.3 | R80 L87 A88 | R80-I84 HydrophobicContact CG-CD1 3.96Å; R80-I84 WeakPolarHBondContact O-CB 3.2Å; R80-I84 WeakPolarHBondContact O-CD1 3.47Å; R80-I84 WeakPolarHBondContact O-CG1 3.5Å; R80-I84 PolarHBondContact O-N 3.47Å; I84-L87 PolarHBondContact O-N 3.4Å; I84-A88 WeakPolarHBondContact O-CB 3.41Å; I84-A88 PolarHBondContact O-N 2.93Å |
| 85 | S | 87.4 | Confident | 79.8 | Confident | 51 Ų | 51 | 111.7 Ų | 111.7 | 36% | 0.357 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -42.3 | 175.5 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | Q81 R82 A88 Y89 | Q81-S85 WeakPolarHBondContact O-CB 3.38Å; Q81-S85 PolarHBondContact O-N 3.1Å; R82-S85 PolarHBondContact O-N 2.82Å; S85-A88 PolarHBondContact O-N 3.3Å; S85-Y89 WeakPolarHBondContact O-CD2 3.38Å; S85-Y89 PolarHBondContact O-N 3.46Å; S85-Y89 WeakPolarHBondContact OG-CE2 3Å |
| 86 | L | 87.2 | Confident | 78.3 | Confident | 99 Ų | 99 | 113.8 Ų | 113.8 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.9 | -43.3 | 175.2 | -175.6 | 153.8 | 0 | 0 | 0 | 110.9 | R82 E83 A88 Y89 H90 | R82-L86 VanDerWaalsContact O-CB 3.24Å; R82-L86 WeakPolarHBondContact O-CB 3.24Å; R82-L86 PolarHBondContact O-N 2.89Å; E83-L86 PolarHBondContact O-N 3.46Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 2.92Å; L86-Y89 PolarHBondContact O-N 3.47Å; L86-H90 PolarHBondContact O-CD2 2.83Å; L86-H90 PolarHBondContact O-N 2.93Å |
| 87 | L | 87.1 | Confident | 76.7 | Confident | 117 Ų | 117 | 112.6 Ų | 112.6 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.8 | -37.6 | 172.4 | -78.6 | 164.1 | 0 | 0 | 0 | 112.2 | E83 I84 H90 G91 | E83-L87 WeakPolarHBondContact O-CB 3.5Å; E83-L87 WeakPolarHBondContact O-CG 3.48Å; E83-L87 PolarHBondContact O-N 3.02Å; I84-L87 PolarHBondContact O-N 3.4Å; L87-H90 PolarHBondContact O-N 3.35Å; L87-G91 PolarHBondContact O-N 3.48Å |
| 88 | A | 87.5 | Confident | 75.3 | Confident | 60 Ų | 60 | 111.3 Ų | 111.3 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.8 | -37.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I84 S85 L86 G91 A92 | I84-A88 WeakPolarHBondContact O-CB 3.41Å; I84-A88 PolarHBondContact O-N 2.93Å; S85-A88 PolarHBondContact O-N 3.3Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 2.92Å; A88-G91 CarbonylContact O-C 3.59Å; A88-G91 PolarHBondContact O-N 3.18Å; A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.24Å; A88-A92 PolarHBondContact O-N 2.81Å |
| 89 | Y | 81.3 | Confident | 73.8 | Confident | 166 Ų | 166 | 115.1 Ų | 115.1 | 65% | 0.651 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.6 | -42.5 | 172.2 | -76.3 | -61.1 | 0 | 0 | 0 | 112 | S85 L86 G91 A92 N93 | S85-Y89 WeakPolarHBondContact O-CD2 3.38Å; S85-Y89 PolarHBondContact O-N 3.46Å; S85-Y89 WeakPolarHBondContact OG-CE2 3Å; L86-Y89 PolarHBondContact O-N 3.47Å; Y89-G91 VanDerWaalsContact C-N 3.32Å; Y89-G91 PolarHBondContact O-N 2.81Å; Y89-A92 PolarHBondContact O-N 3.42Å; Y89-N93 WeakPolarHBondContact O-CB 3.29Å; Y89-N93 PolarHBondContact O-N 3.46Å |
| 90 | H | 81.3 | Confident | 72.5 | Confident | 130 Ų | 130 | 116 Ų | 116 | 60% | 0.602 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.1 | -34.4 | 172.5 | -87.7 | -98.5 | 0 | 0 | 0 | 112.6 | L86 L87 N93 S94 | L86-H90 PolarHBondContact O-CD2 2.83Å; L86-H90 PolarHBondContact O-N 2.93Å; L87-H90 PolarHBondContact O-N 3.35Å; H90-N93 CarbonylContact O-C 3.54Å; H90-S94 WeakPolarHBondContact O-CB 2.98Å; H90-S94 PolarHBondContact O-N 2.8Å |
| 91 | G | 84.6 | Confident | 71.1 | Confident | 48 Ų | 48 | 111.3 Ų | 111.3 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76 | -19.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L87 A88 Y89 S94 | L87-G91 PolarHBondContact O-N 3.48Å; A88-G91 CarbonylContact O-C 3.59Å; A88-G91 PolarHBondContact O-N 3.18Å; Y89-G91 VanDerWaalsContact C-N 3.32Å; Y89-G91 PolarHBondContact O-N 2.81Å; G91-S94 PolarHBondContact O-OG 3Å |
| 92 | A | 71.1 | Confident | 69.9 | Low | 72 Ų | 72 | 112 Ų | 112 | 60% | 0.595 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -89.2 | -37 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A88 Y89 S94 | A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.24Å; A88-A92 PolarHBondContact O-N 2.81Å; Y89-A92 PolarHBondContact O-N 3.42Å; A92-S94 PolarHBondContact O-N 3.45Å |
| 93 | N | 63.8 | Low | 68.7 | Low | 120 Ų | 120 | 107.3 Ų | 107.3 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -79.8 | 13.5 | 167.1 | -90.5 | 5.6 | 0 | 0 | 0 | 112.8 | Y89 H90 F95 | Y89-N93 WeakPolarHBondContact O-CB 3.29Å; Y89-N93 PolarHBondContact O-N 3.46Å; H90-N93 CarbonylContact O-C 3.54Å; N93-F95 PolarHBondContact O-N 2.91Å |
| 94 | S | 56.5 | Low | 66.9 | Low | 84 Ų | 84 | 109 Ų | 109 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | | | trans | -76.1 | 44.2 | 173.7 | 81.7 | 0 | 0 | 0 | 0 | 112.6 | H90 G91 A92 | H90-S94 WeakPolarHBondContact O-CB 2.98Å; H90-S94 PolarHBondContact O-N 2.8Å; G91-S94 PolarHBondContact O-OG 3Å; A92-S94 PolarHBondContact O-N 3.45Å |
| 95 | F | 60.8 | Low | 65.3 | Low | 150 Ų | 150 | 109.1 Ų | 109.1 | 66% | 0.658 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -51.6 | 141.9 | 146.8 | -57 | -78.9 | 0 | 0 | 0 | 107.4 | N93 S97 | N93-F95 PolarHBondContact O-N 2.91Å; F95-S97 PolarHBondContact O-N 3.39Å |
| 96 | P | 51.6 | Low | 63.9 | Low | 131 Ų | 131 | 111 Ų | 111 | 85% | 0.851 | 64% | 0.636 | S | S | * | * | | | trans | -70.6 | 87.6 | 175.9 | 29.4 | -33.8 | 0 | 0 | 0 | 108.6 | S98 | P96-S98 PolarHBondContact O-N 2.9Š|
| 97 | S | 48.1 | Very low | 62.3 | Low | 104 Ų | 104 | 110.7 Ų | 110.7 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | | | trans | -52.6 | 116.1 | 164.1 | -65.6 | 0 | 0 | 0 | 0 | 107.6 | F95 M99 | F95-S97 PolarHBondContact O-N 3.39Å; S97-M99 PolarHBondContact O-N 3.45Å |
| 98 | S | 48 | Very low | 60.6 | Low | 98 Ų | 98 | 109.8 Ų | 109.8 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | | | trans | -47.5 | 129.4 | 157.1 | 46 | 0 | 0 | 0 | 0 | 106.9 | P96 L100 | P96-S98 PolarHBondContact O-N 2.9Å; S98-L100 CarbonylContact O-C 3.48Å; S98-L100 PolarHBondContact O-N 2.89Å; S98-L100 VanDerWaalsContact O-O 3.11Å |
| 99 | M | 48.6 | Very low | 59.2 | Low | 192 Ų | 192 | 116.2 Ų | 116.2 | 95% | 0.946 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -62.8 | -2.7 | -160.1 | -162.9 | -174.1 | 169.5 | 0 | 0 | 114.8 | S97 | S97-M99 PolarHBondContact O-N 3.45Š|
| 100 | L | 52.9 | Low | 58 | Low | 129 Ų | 129 | 115.5 Ų | 115.5 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -127.5 | 128.4 | 175.6 | -52.9 | 171.5 | 0 | 0 | 0 | 107.3 | S98 | S98-L100 CarbonylContact O-C 3.48Å; S98-L100 PolarHBondContact O-N 2.89Å; S98-L100 VanDerWaalsContact O-O 3.11Å |
| 101 | D | 52.9 | Low | 56.3 | Low | 74 Ų | 74 | 114.5 Ų | 114.5 | 40% | 0.396 | 67% | 0.667 | S | S | . | * | S | Bend | | 168.1 | -22.9 | 118.5 | -160.1 | 26.6 | 0 | 0 | 0 | 112.3 | S103 F104 L105 | D101-S103 PolarHBondContact O-N 2.93Å; D101-F104 CarbonylContact O-C 3.47Å; D101-F104 WeakPolarHBondContact O-CA 3.29Å; D101-F104 WeakPolarHBondContact O-CB 2.93Å; D101-F104 PolarHBondContact O-N 3.38Å; D101-F104 VanDerWaalsContact OD1-CB 3.3Å; D101-F104 WeakPolarHBondContact OD1-CB 3.01Å; D101-L105 HydrophobicContact CB-CD1 4.33Å; D101-L105 PolarHBondContact O-N 2.9Å; D101-L105 WeakPolarHBondContact OD2-CD1 3.47Å; D101-L105 WeakPolarHBondContact OD2-CG 3.02Å |
| 102 | L | 57.3 | Low | 54.6 | Low | 151 Ų | 151 | 115.5 Ų | 115.5 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.2 | -34.8 | -169.5 | -142.4 | 75.4 | 0 | 0 | 0 | 114.8 | L105 A106 | L102-L105 HydrophobicContact CD1-CD1 4.48Å; L102-A106 PolarHBondContact O-N 2.8Å; L102-A106 VanDerWaalsContact O-N 3.15Å |
| 103 | S | 60.2 | Low | 53.6 | Low | 90 Ų | 90 | 121.5 Ų | 121.5 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.1 | -23.9 | 171.7 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | D101 S107 | D101-S103 PolarHBondContact O-N 2.93Å; S103-S107 PolarHBondContact O-OG 2.86Å |
| 104 | F | 50.4 | Low | 53.4 | Low | 129 Ų | 129 | 122.8 Ų | 122.8 | 57% | 0.566 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -72.5 | -48.3 | 169.7 | -94.5 | -101.8 | 0 | 0 | 0 | 110.4 | D101 A106 S107 L108 | D101-F104 CarbonylContact O-C 3.47Å; D101-F104 WeakPolarHBondContact O-CA 3.29Å; D101-F104 WeakPolarHBondContact O-CB 2.93Å; D101-F104 PolarHBondContact O-N 3.38Å; D101-F104 VanDerWaalsContact OD1-CB 3.3Å; D101-F104 WeakPolarHBondContact OD1-CB 3.01Å; F104-A106 VanDerWaalsContact C-N 3.29Å; F104-A106 PolarHBondContact O-N 3.36Å; F104-S107 CarbonylContact O-C 3.48Å; F104-S107 VanDerWaalsContact O-CA 3.32Å; F104-S107 WeakPolarHBondContact O-CA 3.46Å; F104-S107 WeakPolarHBondContact O-CB 3.01Å; F104-S107 PolarHBondContact O-N 2.86Å; F104-L108 HydrophobicContact CB-CD1 4.41Å; F104-L108 WeakPolarHBondContact O-CB 3.36Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.5Å; F104-L108 PolarHBondContact O-N 3.39Å |
| 105 | L | 53.4 | Low | 53.4 | Low | 97 Ų | 97 | 125.9 Ų | 125.9 | 51% | 0.508 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -58 | -37 | 174.5 | -72.3 | 167.6 | 0 | 0 | 0 | 113 | D101 L102 S107 L108 | D101-L105 HydrophobicContact CB-CD1 4.33Å; D101-L105 PolarHBondContact O-N 2.9Å; D101-L105 WeakPolarHBondContact OD2-CD1 3.47Å; D101-L105 WeakPolarHBondContact OD2-CG 3.02Å; L102-L105 HydrophobicContact CD1-CD1 4.48Å; L105-S107 PolarHBondContact O-N 3.26Å; L105-L108 HydrophobicContact CD2-CD1 4.06Å; L105-L108 PolarHBondContact O-N 2.83Å |
| 106 | A | 56.4 | Low | 53.1 | Low | 89 Ų | 89 | 123 Ų | 123 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -20.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L102 F104 | L102-A106 PolarHBondContact O-N 2.8Å; L102-A106 VanDerWaalsContact O-N 3.15Å; F104-A106 VanDerWaalsContact C-N 3.29Å; F104-A106 PolarHBondContact O-N 3.36Å |
| 107 | S | 54.3 | Low | 53.3 | Low | 94 Ų | 94 | 121 Ų | 121 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -13.5 | -179.9 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | S103 F104 L105 K109 | S103-S107 PolarHBondContact O-OG 2.86Å; F104-S107 CarbonylContact O-C 3.48Å; F104-S107 VanDerWaalsContact O-CA 3.32Å; F104-S107 WeakPolarHBondContact O-CA 3.46Å; F104-S107 WeakPolarHBondContact O-CB 3.01Å; F104-S107 PolarHBondContact O-N 2.86Å; L105-S107 PolarHBondContact O-N 3.26Å; S107-K109 PolarHBondContact O-N 2.84Å |
| 108 | L | 51.7 | Low | 53.6 | Low | 97 Ų | 97 | 119.8 Ų | 119.8 | 51% | 0.508 | 67% | 0.667 | S | S | . | * | | | trans | -77.2 | 70.1 | 179.4 | -80.5 | 166 | 0 | 0 | 0 | 110.3 | F104 L105 L110 | F104-L108 HydrophobicContact CB-CD1 4.41Å; F104-L108 WeakPolarHBondContact O-CB 3.36Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.5Å; F104-L108 PolarHBondContact O-N 3.39Å; L105-L108 HydrophobicContact CD2-CD1 4.06Å; L105-L108 PolarHBondContact O-N 2.83Å; L108-L110 PolarHBondContact O-N 3.17Å |
| 109 | K | 58.3 | Low | 53.7 | Low | 195 Ų | 195 | 122.5 Ų | 122.5 | 85% | 0.848 | 67% | 0.669 | S | S | * | * | | | trans | -54 | 113 | 163.7 | -173.5 | 177.4 | -177.4 | 66.6 | 0 | 108 | S107 | S107-K109 PolarHBondContact O-N 2.84Š|
| 110 | L | 56.7 | Low | 53.9 | Low | 151 Ų | 151 | 118.4 Ų | 118.4 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 137.3 | -174.5 | -72.6 | 73.7 | 0 | 0 | 0 | 110.3 | L108 S112 | L108-L110 PolarHBondContact O-N 3.17Å; L110-S112 PolarHBondContact O-N 3.31Å |
| 111 | P | 45.2 | Very low | 54 | Low | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 136.7 | 172.5 | -26.3 | 34.7 | 0 | 0 | 0 | 110.8 | | |
| 112 | S | 49.1 | Very low | 54.1 | Low | 68 Ų | 68 | 120.2 Ų | 120.2 | 48% | 0.476 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 144.2 | 175.6 | 45.7 | 0 | 0 | 0 | 0 | 110.3 | L110 E114 E115 | L110-S112 PolarHBondContact O-N 3.31Å; S112-E114 WeakPolarHBondContact CB-OE2 3.49Å; S112-E114 PolarHBondContact O-N 3.44Å; S112-E114 VanDerWaalsContact OG-CD 3.27Å; S112-E114 PolarHBondContact OG-OE2 2.88Å; S112-E115 PolarHBondContact O-N 2.89Å |
| 113 | Y | 48.7 | Very low | 54 | Low | 199 Ų | 199 | 118.5 Ų | 118.5 | 78% | 0.78 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -5.4 | -171.4 | -168.2 | -102.3 | 0 | 0 | 0 | 114.2 | | |
| 114 | E | 60 | Low | 53.8 | Low | 146 Ų | 146 | 119.6 Ų | 119.6 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -34.8 | 176.7 | 68.5 | -157.7 | -95.3 | 0 | 0 | 113.6 | S112 V116 A117 | S112-E114 WeakPolarHBondContact CB-OE2 3.49Å; S112-E114 PolarHBondContact O-N 3.44Å; S112-E114 VanDerWaalsContact OG-CD 3.27Å; S112-E114 PolarHBondContact OG-OE2 2.88Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 3.16Å; E114-A117 PolarHBondContact O-N 2.99Å |
| 115 | E | 56 | Low | 53.9 | Low | 149 Ų | 149 | 118.6 Ų | 118.6 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -69.7 | -31.2 | -175.5 | -166.9 | 173.3 | -173.7 | 0 | 0 | 112.3 | S112 A117 A118 | S112-E115 PolarHBondContact O-N 2.89Å; E115-A117 VanDerWaalsContact C-N 3.29Å; E115-A117 PolarHBondContact O-N 3.18Å; E115-A118 PolarHBondContact O-N 2.72Å |
| 116 | V | 55.1 | Low | 53.7 | Low | 91 Ų | 91 | 119.9 Ų | 119.9 | 55% | 0.552 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -70.6 | -26.1 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 112 | E114 A118 | E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 3.16Å; V116-A118 PolarHBondContact O-N 3.17Å |
| 117 | A | 55.6 | Low | 53.2 | Low | 88 Ų | 88 | 126.6 Ų | 126.6 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -73.2 | -12.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E114 E115 Q119 | E114-A117 PolarHBondContact O-N 2.99Å; E115-A117 VanDerWaalsContact C-N 3.29Å; E115-A117 PolarHBondContact O-N 3.18Å; A117-Q119 PolarHBondContact O-N 3.02Å |
| 118 | A | 54.8 | Low | 53 | Low | 78 Ų | 78 | 127 Ų | 127 | 65% | 0.645 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -91.7 | 16.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | E115 V116 P120 | E115-A118 PolarHBondContact O-N 2.72Å; V116-A118 PolarHBondContact O-N 3.17Å; A118-P120 WeakPolarHBondContact O-CD 3.04Å |
| 119 | Q | 51 | Low | 52.9 | Low | 156 Ų | 156 | 127.8 Ų | 127.8 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | | | trans | -62.1 | 123.6 | 176 | -72.9 | -165.6 | 11.8 | 0 | 0 | 111.7 | A117 S121 | A117-Q119 PolarHBondContact O-N 3.02Å; Q119-S121 PolarHBondContact O-N 3.18Å |
| 120 | P | 53 | Low | 52.3 | Low | 105 Ų | 105 | 124.2 Ų | 124.2 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | | | trans | -67 | 134.1 | 171.4 | 28.3 | -33.4 | 0 | 0 | 0 | 109.9 | A118 T122 | A118-P120 WeakPolarHBondContact O-CD 3.04Å; P120-T122 VanDerWaalsContact C-N 3.3Å; P120-T122 PolarHBondContact O-N 3.38Å |
| 121 | S | 53.3 | Low | 51.9 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | | | trans | -73.4 | 76.6 | -176.7 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | Q119 | Q119-S121 PolarHBondContact O-N 3.18Š|
| 122 | T | 56.5 | Low | 51.7 | Low | 113 Ų | 113 | 126.6 Ų | 126.6 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 124.1 | 167.5 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | P120 | P120-T122 VanDerWaalsContact C-N 3.3Å; P120-T122 PolarHBondContact O-N 3.38Å |
| 123 | P | 53.6 | Low | 51.3 | Low | 114 Ų | 114 | 129.4 Ų | 129.4 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 147.9 | 175.6 | 28.9 | -34.5 | 0 | 0 | 0 | 110.9 | | |
| 124 | P | 56.8 | Low | 51 | Low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 149.3 | -179.8 | 27.4 | -35 | 0 | 0 | 0 | 111.8 | | |
| 125 | P | 51.6 | Low | 49.8 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 149.6 | 176.7 | 28.1 | -35 | 0 | 0 | 0 | 111.4 | Y127 | P125-Y127 PolarHBondContact O-N 2.97Š|
| 126 | P | 50.7 | Low | 48.8 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131.4 | -178 | 27.7 | -34.5 | 0 | 0 | 0 | 111.5 | S128 | P126-S128 PolarHBondContact O-N 3.27Å; P126-S128 VanDerWaalsContact O-N 3.09Å |
| 127 | Y | 45.3 | Very low | 48.2 | Very low | 230 Ų | 230 | 134.5 Ų | 134.5 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | -63.8 | 107.3 | 174.7 | -85.7 | -95.4 | 0 | 0 | 0 | 111.3 | P125 S129 | P125-Y127 PolarHBondContact O-N 2.97Å; Y127-S129 PolarHBondContact O-N 3.12Å |
| 128 | S | 50.4 | Low | 47.4 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -78.7 | 109.2 | 165.7 | 47 | 0 | 0 | 0 | 0 | 110 | P126 V130 | P126-S128 PolarHBondContact O-N 3.27Å; P126-S128 VanDerWaalsContact O-N 3.09Å; S128-V130 PolarHBondContact O-N 3.3Å |
| 129 | S | 49.5 | Very low | 46.7 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | -72.8 | 91.6 | 176.1 | 46.6 | 0 | 0 | 0 | 0 | 111 | Y127 F131 | Y127-S129 PolarHBondContact O-N 3.12Å; S129-F131 PolarHBondContact O-N 3.24Å |
| 130 | V | 46.3 | Very low | 46.4 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | trans | -71.7 | 88.3 | 179.2 | -171 | 0 | 0 | 0 | 0 | 110.6 | S128 T132 | S128-V130 PolarHBondContact O-N 3.3Å; V130-T132 PolarHBondContact O-N 3.14Å |
| 131 | F | 48.4 | Very low | 45.6 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -86.6 | 81.2 | -174.8 | -161.6 | -80 | 0 | 0 | 0 | 111.4 | S129 | S129-F131 PolarHBondContact O-N 3.24Š|
| 132 | T | 40.6 | Very low | 44.8 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | | | trans | -141.6 | 94.8 | 175.9 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | V130 | V130-T132 PolarHBondContact O-N 3.14Š|
| 133 | T | 40.9 | Very low | 43.9 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | | -79.7 | 163.2 | 129.5 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 134 | P | 41.1 | Very low | 43 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | | | cis | -139.8 | 170.1 | 20.6 | 41.2 | -22.8 | 0 | 0 | 0 | 117 | | |
| 135 | R | 36 | Very low | 42.9 | Very low | 237 Ų | 237 | 142.4 Ų | 142.4 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | | | trans | 155.8 | 105.6 | 130 | -88.7 | -173.8 | 173.2 | 143.3 | 1.1 | 112.4 | | |
| 136 | Y | 35.2 | Very low | 42 | Very low | 226 Ų | 226 | 145.1 Ų | 145.1 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | | | trans | -70.4 | 140.9 | 153.4 | -97.5 | -100.5 | 0 | 0 | 0 | 110.1 | | |
| 137 | P | 42.4 | Very low | 41.2 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -74.9 | 132.5 | 149.6 | -8.7 | 26.6 | 0 | 0 | 0 | 109.1 | | |
| 138 | Q | 39 | Very low | 40.8 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -120.1 | 123.6 | 179 | -167.7 | -169.5 | 3.4 | 0 | 0 | 110.4 | | |
| 139 | P | 39.1 | Very low | 39.9 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 148.1 | 167.1 | -20.6 | 33.9 | 0 | 0 | 0 | 111.7 | | |
| 140 | P | 44.3 | Very low | 39.2 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73 | 147.4 | -168.7 | 29.2 | -35.7 | 0 | 0 | 0 | 113.6 | | |
| 141 | R | 35.7 | Very low | 38.6 | Very low | 221 Ų | 221 | 147.8 Ų | 147.8 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 127.4 | 167.4 | -74.1 | -175.8 | 168.8 | 106.9 | -3.7 | 110.5 | | |
| 142 | A | 38.3 | Very low | 37.8 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 165.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 143 | A | 36.2 | Very low | 37.7 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 123.2 | -159.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 144 | D | 35.9 | Very low | 37.4 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | 71.1 | 176.9 | 133.3 | -123.6 | 17 | 0 | 0 | 0 | 117.7 | | |
| 145 | P | 53.6 | Low | 37.6 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | | -126.5 | -175.3 | -113.8 | 38.8 | -20.6 | 0 | 0 | 0 | 114.1 | | |
| 146 | H | 32.8 | Very low | 37.6 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | | 158.4 | 128.7 | 127.1 | -169.9 | -127.9 | 0 | 0 | 0 | 114.1 | | |
| 147 | L | 33.7 | Very low | 38 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | 66.2 | 153.2 | 151 | -93.6 | -168.6 | 0 | 0 | 0 | 124.7 | | |
| 148 | L | 37.2 | Very low | 37.9 | Very low | 135 Ų | 135 | 132 Ų | 132 | 71% | 0.707 | 77% | 0.769 | S | S | * | * | | | trans | 74.6 | 95.1 | 151.8 | -68.8 | 165.3 | 0 | 0 | 0 | 121.4 | | |
| 149 | T | 32.3 | Very low | 37.7 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | | 61 | 145.9 | 110 | -44 | 0 | 0 | 0 | 0 | 121.8 | | |
| 150 | Q | 35.1 | Very low | 37.6 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | 113.3 | 93.9 | 140.3 | -142.5 | 154.1 | 10 | 0 | 0 | 118.1 | | |
| 151 | H | 33 | Very low | 37.1 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | | | | 28.1 | 113 | 113.7 | -130.2 | -88.3 | 0 | 0 | 0 | 117.1 | | |
| 152 | G | 31.1 | Very low | 37.1 | Very low | 74 Ų | 74 | 128.4 Ų | 128.4 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | -172.6 | 110.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 153 | S | 38.5 | Very low | 36.8 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -68.4 | 155.2 | 151.3 | 51.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 154 | D | 34.8 | Very low | 36.9 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | | -171.5 | 168.4 | 66.5 | -101.2 | -63 | 0 | 0 | 0 | 114.2 | | |
| 155 | N | 45.5 | Very low | 36.8 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -60.6 | 130.7 | 172.4 | 162.8 | 47.9 | 0 | 0 | 0 | 113.6 | | |
| 156 | S | 36.5 | Very low | 36.3 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -172.1 | 117.8 | 138.1 | -83.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 157 | S | 43.4 | Very low | 36.4 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -77.6 | 131.6 | 166.2 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 158 | S | 39.3 | Very low | 36.5 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -179 | 119.3 | 147 | -84.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 159 | C | 34.9 | Very low | 36.7 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -146.3 | 118.9 | 149.6 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 160 | S | 36.6 | Very low | 36.5 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -76.8 | 153.3 | -180 | -47 | 0 | 0 | 0 | 0 | 111.1 | | |
| 161 | C | 34 | Very low | 36.5 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | | | trans | -126.7 | 132.2 | 150.6 | 59.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 162 | D | 35.4 | Very low | 36.4 | Very low | 143 Ų | 143 | 120 Ų | 120 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | -146.7 | 151.6 | -175.7 | -162.4 | -40 | 0 | 0 | 0 | 107.9 | | |
| 163 | S | 33.8 | Very low | 36.5 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | trans | 63.9 | 82.6 | 164.6 | -65.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 164 | C | 37.5 | Very low | 36.1 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | | 36.7 | 131.2 | 114.7 | -54.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 165 | C | 34.6 | Very low | 36.1 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | | | trans | -152.8 | 162.9 | 149.5 | -101.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 166 | P | 43.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | | | trans | -117.3 | -170.1 | -139.8 | 43.5 | -36.1 | 0 | 0 | 0 | 117.2 | | |
| 167 | S | 34.8 | Very low | 36.3 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | | | trans | -78.4 | 160.4 | -165.9 | -40.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 168 | S | 34.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 77 | 159.6 | 156.5 | -56.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 169 | P | 41.9 | Very low | 35.4 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | cis | -124.7 | -170.7 | 3.5 | 42.4 | -27.1 | 0 | 0 | 0 | 115.3 | | |
| 170 | C | 27.9 | Very low | 35.3 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -77.8 | 155.7 | -173.6 | -44.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 171 | S | 34.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | | -172.9 | 145.5 | 119.6 | -82.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 172 | S | 32.8 | Very low | 35.3 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -65 | 159.1 | -172.4 | -39.3 | 0 | 0 | 0 | 0 | 118 | | |
| 173 | S | 32.8 | Very low | 34.9 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -151.5 | 154.5 | 134.5 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 174 | L | 29.6 | Very low | 35 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -111.8 | 146.1 | -158.7 | -156.9 | 82.7 | 0 | 0 | 0 | 112.5 | | |
| 175 | S | 34.6 | Very low | 34.7 | Very low | 121 Ų | 121 | 130 Ų | 130 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -165.5 | 79.2 | 161.2 | -80.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 176 | A | 38.3 | Very low | 34.7 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | 50.3 | 163.6 | 130.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 177 | P | 47.5 | Very low | 34.1 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | | | | -145.3 | 167.3 | -53.8 | 44.1 | -28.7 | 0 | 0 | 0 | 115.8 | | |
| 178 | I | 31.5 | Very low | 33.9 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | 55.5 | 158.8 | 163.4 | 27.2 | 173.7 | 0 | 0 | 0 | 119.3 | | |
| 179 | T | 32.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | | | cis | -140.7 | 141.2 | 1 | 42.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 180 | Y | 33 | Very low | 34 | Very low | 221 Ų | 221 | 131.4 Ų | 131.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | | -171.2 | 137.1 | 117.7 | 55.7 | -107 | 0 | 0 | 0 | 113.6 | | |
| 181 | E | 35.8 | Very low | 34.4 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | 42.7 | 105.7 | 158.7 | -49.7 | -42.2 | 86.6 | 0 | 0 | 122.7 | | |
| 182 | T | 34.5 | Very low | 34.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -48.6 | 162.8 | 141 | -3.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 183 | D | 26.9 | Very low | 35.4 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | cis | -150.6 | 173.2 | 10.8 | -158.1 | -0.4 | 0 | 0 | 0 | 112.3 | | |
| 184 | T | 35.7 | Very low | 35.7 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | | | trans | -126.3 | 125.7 | -179.8 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 185 | S | 31.6 | Very low | 36.5 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -163.8 | 123.3 | 150.7 | 26.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 186 | H | 34.5 | Very low | 36.4 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | | 88.9 | 125.1 | 54.6 | -86.7 | -69.8 | 0 | 0 | 0 | 114.5 | | |
| 187 | A | 31.7 | Very low | 35.9 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | 82.2 | 123.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 188 | S | 29.9 | Very low | 35.6 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | 79.7 | 122.3 | 142.8 | -57.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 189 | T | 41.3 | Very low | 36.3 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | trans | -57.1 | 145.7 | 164.1 | -32.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 190 | P | 36.2 | Very low | 36.5 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -135.8 | 153.3 | 131.7 | 35.9 | -24.7 | 0 | 0 | 0 | 114.9 | | |
| 191 | R | 37.4 | Very low | 36.3 | Very low | 222 Ų | 222 | 128.9 Ų | 128.9 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -76.5 | 140 | 178 | 163.4 | -176.3 | 178.3 | -166.4 | 5.1 | 112.2 | | |
| 192 | P | 43.8 | Very low | 35.9 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -77.1 | 155.6 | 168 | -13.7 | 30 | 0 | 0 | 0 | 113.5 | | |
| 193 | P | 43.3 | Very low | 35.8 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | trans | -108.7 | 160.1 | -161 | 40.1 | -34.9 | 0 | 0 | 0 | 116.4 | | |
| 194 | T | 39.9 | Very low | 35.9 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -97.3 | 140.9 | 145.1 | 43.6 | 0 | 0 | 0 | 0 | 109 | | |
| 195 | P | 47.3 | Very low | 36.4 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | | -141.7 | 177 | 105.8 | 38.6 | -22.5 | 0 | 0 | 0 | 111.1 | | |
| 196 | T | 30.9 | Very low | 36.5 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | cis | -164.1 | 142.3 | 33 | -44.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 197 | A | 29.2 | Very low | 36.4 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | 159.9 | 115.1 | 134.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 198 | N | 39.9 | Very low | 36.3 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | -116.8 | 152.3 | 153.6 | -60.3 | 5.9 | 0 | 0 | 0 | 105.8 | | |
| 199 | P | 46.1 | Very low | 36.3 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | | -155 | 159.1 | 80.1 | 42 | -23 | 0 | 0 | 0 | 118.3 | | |
| 200 | S | 36.7 | Very low | 35.9 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | 71.5 | 153.9 | 142.7 | -117.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 201 | D | 29.6 | Very low | 35.5 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | 78.8 | 95.6 | 147.6 | -57 | -8.7 | 0 | 0 | 0 | 121.6 | | |
| 202 | C | 28 | Very low | 35.3 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | | 26.4 | 125.2 | 123.8 | -57.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 203 | C | 31.1 | Very low | 34.7 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | | | | -175.8 | 130.6 | 113.3 | -114.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 204 | G | 29.1 | Very low | 33.9 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | 87.5 | 139.2 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 205 | P | 47.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | trans | -108.4 | 165.4 | 172.7 | 40.2 | -32.8 | 0 | 0 | 0 | 113.7 | | |
| 206 | V | 32.8 | Very low | 32.9 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | -137.7 | 154.6 | 146 | -81.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 207 | E | 32.8 | Very low | 32.7 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -54.1 | 153.7 | -156.2 | -60.9 | 170.2 | 115.2 | 0 | 0 | 118.4 | | |
| 208 | A | 28.9 | Very low | 32.9 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | | | trans | -92.3 | 171.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 209 | L | 31.1 | Very low | 32.5 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | | | trans | -127.7 | 146.5 | 157.1 | -162.5 | 135 | 0 | 0 | 0 | 110 | | |
| 210 | E | 31.9 | Very low | 32.8 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | -78.5 | 148.4 | -152.3 | -57.7 | 165 | 103.7 | 0 | 0 | 115.2 | | |
| 211 | T | 28.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | trans | -125.3 | 112.9 | 148.3 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 212 | L | 32.7 | Very low | 33.7 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | | | trans | -84.1 | 122.2 | 179.8 | -83.2 | 161.5 | 0 | 0 | 0 | 111.5 | | |
| 213 | D | 31.9 | Very low | 34.1 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | trans | -149.9 | 140.9 | 138.3 | -159.2 | -6.2 | 0 | 0 | 0 | 110.5 | | |
| 214 | S | 27.3 | Very low | 34.9 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -174.8 | 102.8 | 169.9 | -85.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 215 | S | 33 | Very low | 35 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | 14.2 | 137.5 | 130.9 | -55.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 216 | R | 31.6 | Very low | 34.3 | Very low | 251 Ų | 251 | 141.8 Ų | 141.8 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | | | trans | -143.6 | 141.9 | 156.1 | -146.8 | 172.6 | -168.4 | 170.5 | 5.7 | 115.2 | | |
| 217 | T | 27.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | -102.4 | 164.2 | -174.1 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 218 | F | 32.9 | Very low | 34.9 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | -34.1 | 151.8 | 173.9 | -76.9 | -101.8 | 0 | 0 | 0 | 118.8 | | |
| 219 | D | 32.2 | Very low | 35.2 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | | | | -163.3 | 165.2 | 114.6 | -107.9 | -19.6 | 0 | 0 | 0 | 113.1 | | |
| 220 | P | 51.4 | Low | 35.8 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -115 | -150.9 | -166.8 | 47.7 | -39.7 | 0 | 0 | 0 | 112.4 | | |
| 221 | P | 53.4 | Low | 36 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | cis | -131.5 | 167.8 | -20.5 | 39.8 | -24.9 | 0 | 0 | 0 | 115.2 | | |
| 222 | S | 33.2 | Very low | 37.1 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 92% | 0.923 | 80% | 0.798 | S | S | * | * | | | trans | -173.1 | 158.6 | 148.9 | -86 | 0 | 0 | 0 | 0 | 113 | | |
| 223 | A | 35.7 | Very low | 37.2 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -139 | -176.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 224 | P | 48.1 | Very low | 37.4 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | cis | -136.2 | 176.2 | -1.7 | 43.5 | -27.6 | 0 | 0 | 0 | 115.8 | | |
| 225 | S | 30.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | | 171 | 137.8 | 129.9 | -76.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 226 | T | 33.3 | Very low | 37.7 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -97.3 | 160.3 | 172.9 | -6.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 227 | P | 49.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | | -128 | 178.9 | 69.4 | 7.5 | 17.8 | 0 | 0 | 0 | 113 | | |
| 228 | S | 28.7 | Very low | 38.2 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | cis | -163 | 178.1 | -9.2 | -110.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 229 | A | 34.9 | Very low | 37.9 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | -129.4 | 175.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 230 | P | 44.6 | Very low | 38 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | | | | -143.3 | 167.2 | 88.8 | 39.6 | -25 | 0 | 0 | 0 | 116 | | |
| 231 | S | 34.8 | Very low | 36.8 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | -93 | -179.6 | 170.8 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 232 | P | 52.4 | Low | 35.8 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | | -145 | 161 | 86.3 | 39.3 | -23.6 | 0 | 0 | 0 | 116.4 | | |
| 233 | D | 35.2 | Very low | 35.6 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | -81.7 | 166.8 | 168.4 | -67.8 | -75.1 | 0 | 0 | 0 | 113.6 | | |
| 234 | V | 35.6 | Very low | 35.5 | Very low | 126 Ų | 126 | 128 Ų | 128 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | | 152.9 | 125.2 | 122.3 | 163 | 0 | 0 | 0 | 0 | 113.1 | | |
| 235 | L | 32.7 | Very low | 34.9 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | | | trans | 33.8 | 131.4 | 154.4 | -65.3 | 167.4 | 0 | 0 | 0 | 119.5 | | |
| 236 | R | 34.3 | Very low | 35 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | | -179.8 | 144.8 | 67.7 | 171.1 | 156.4 | -79.4 | 132.7 | -0.7 | 113.2 | M238 | R236-M238 HydrophobicContact CG-CE 4.42Š|
| 237 | T | 32.7 | Very low | 34.9 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | -56.2 | 135.4 | 168.3 | -39.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 238 | M | 35.6 | Very low | 34.1 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | -136.2 | 108.6 | 162.9 | -59.2 | -68.1 | -175.9 | 0 | 0 | 108.9 | R236 | R236-M238 HydrophobicContact CG-CE 4.42Š|
| 239 | A | 27.4 | Very low | 34.3 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | | | trans | -92.3 | 134.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 240 | L | 33.5 | Very low | 35.1 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 95% | 0.948 | 77% | 0.774 | S | S | * | * | | | trans | -108.7 | 140.9 | 170.9 | -79.1 | 178.1 | 0 | 0 | 0 | 111.5 | | |
| 241 | K | 26.7 | Very low | 34.5 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | -106.6 | 124.1 | -167.5 | 169.5 | -173.9 | 172.1 | 68.2 | 0 | 109.1 | D243 | K241-D243 WeakPolarHBondContact CE-OD2 3.4Å; K241-D243 IonicContact NZ-OD2 2.61Å; K241-D243 PolarHBondContact NZ-OD2 3.11Å |
| 242 | A | 32.8 | Very low | 34.4 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | | | trans | -107.2 | 138 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 243 | D | 27.8 | Very low | 33.3 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 57% | 0.572 | 78% | 0.779 | S | S | * | * | | | trans | -130.2 | 133.5 | -170.7 | -154.9 | -14.7 | 0 | 0 | 0 | 112 | K241 | K241-D243 WeakPolarHBondContact CE-OD2 3.4Å; K241-D243 IonicContact NZ-OD2 2.61Å; K241-D243 PolarHBondContact NZ-OD2 3.11Å |
| 244 | S | 35.3 | Very low | 33.3 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | 21.1 | 126.3 | 157.3 | -52.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 245 | A | 34.5 | Very low | 33 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | | -147.1 | 162.6 | 126.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 246 | S | 32.4 | Very low | 33 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -152.2 | 138.7 | -166.1 | -81.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 247 | R | 30.8 | Very low | 33.1 | Very low | 232 Ų | 232 | 135.4 Ų | 135.4 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | 63.3 | 162.2 | 155.7 | -59.6 | 177 | 169.5 | -152.4 | -4.8 | 115.5 | | |
| 248 | L | 32.4 | Very low | 34 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | cis | -141 | -175.5 | 24.1 | -75.5 | 162.1 | 0 | 0 | 0 | 112.7 | | |
| 249 | T | 33.2 | Very low | 33.8 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | | | trans | -130.5 | -173.7 | 177.1 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 250 | P | 52.4 | Low | 33.9 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | cis | -132.5 | -169.9 | -25.8 | 29.3 | -6.2 | 0 | 0 | 0 | 114.9 | | |
| 251 | D | 31.8 | Very low | 34 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | 106.6 | 156.2 | 133.6 | -114.9 | -61.5 | 0 | 0 | 0 | 124.8 | | |
| 252 | Q | 33.2 | Very low | 34.8 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 85.4 | 88 | 169.4 | -74.5 | 176.7 | 94 | 0 | 0 | 124.1 | | |
| 253 | D | 29.4 | Very low | 34.9 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | | 65 | 149 | 106 | -135.9 | -1.5 | 0 | 0 | 0 | 127.2 | | |
| 254 | V | 35.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 55.9 | 126 | 163.5 | -126.5 | 0 | 0 | 0 | 0 | 125.8 | | |
| 255 | S | 28.5 | Very low | 35.7 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | | 107.8 | 105.6 | 124.9 | -132.1 | 0 | 0 | 0 | 0 | 124.2 | | |
| 256 | V | 32.3 | Very low | 35.4 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | 73.1 | 151.2 | 130.5 | 178 | 0 | 0 | 0 | 0 | 122.3 | | |
| 257 | V | 36.2 | Very low | 35.3 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -118 | 165.4 | -163.9 | 125.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 258 | P | 52.2 | Low | 35.2 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | -147.9 | -175.8 | 38 | 37.3 | -13.4 | 0 | 0 | 0 | 119.7 | | |
| 259 | A | 31.2 | Very low | 35.1 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | | | trans | 71.5 | 150.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 260 | D | 30.6 | Very low | 34.9 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | | | cis | -142.7 | 173.3 | 11.2 | -127.3 | -31.5 | 0 | 0 | 0 | 112.8 | | |
| 261 | A | 34.1 | Very low | 34 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | | | trans | -129.1 | 157.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 262 | P | 44.8 | Very low | 34.9 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | | -155.5 | 150.2 | 92.2 | 38.5 | -19 | 0 | 0 | 0 | 118.7 | | |
| 263 | V | 35.8 | Very low | 34.8 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | | | trans | 30.5 | 128 | 132.2 | -162 | 0 | 0 | 0 | 0 | 122.1 | | |
| 264 | T | 30.1 | Very low | 35.4 | Very low | 125 Ų | 125 | 123 Ų | 123 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | | | trans | -15.8 | 173.2 | 144.1 | 13.9 | 0 | 0 | 0 | 0 | 120 | | |
| 265 | P | 49.2 | Very low | 35.3 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | cis | -140 | -168.2 | 8.1 | 41.6 | -21.6 | 0 | 0 | 0 | 116.2 | | |
| 266 | T | 27 | Very low | 35.3 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | | 169 | 165.3 | 122.3 | -68 | 0 | 0 | 0 | 0 | 112.7 | | |
| 267 | Q | 31.9 | Very low | 35.2 | Very low | 172 Ų | 172 | 124 Ų | 124 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -111.9 | 149.8 | -163.4 | -71.5 | -177.4 | 40.6 | 0 | 0 | 115.8 | | |
| 268 | T | 28.1 | Very low | 35 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | 49 | 145 | 134 | -39 | 0 | 0 | 0 | 0 | 122.8 | | |
| 269 | I | 30.3 | Very low | 34 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | 129 | 140.7 | 144.6 | -66.6 | -178.4 | 0 | 0 | 0 | 116.1 | | |
| 270 | A | 29.4 | Very low | 35.1 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | 84 | 122.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 271 | S | 32.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | -104.1 | 161.4 | 152 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 272 | P | 49.8 | Very low | 35 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | | -143.2 | 172.5 | 95.9 | 35.2 | -18.1 | 0 | 0 | 0 | 115.9 | | |
| 273 | N | 32.2 | Very low | 34.3 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -73.5 | 165.8 | -177.4 | -161.5 | 13.8 | 0 | 0 | 0 | 113.7 | T275 | N273-T275 VanDerWaalsContact CG-N 3.35Å; N273-T275 PolarHBondContact ND2-N 3.46Å; N273-T275 PolarHBondContact OD1-N 2.91Å |
| 274 | P | 42.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | | -148.6 | 117.1 | 99.9 | 35.8 | -17.5 | 0 | 0 | 0 | 118 | | |
| 275 | T | 31.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | | 52.5 | 135.5 | 126.2 | -27.9 | 0 | 0 | 0 | 0 | 122.8 | N273 | N273-T275 VanDerWaalsContact CG-N 3.35Å; N273-T275 PolarHBondContact ND2-N 3.46Å; N273-T275 PolarHBondContact OD1-N 2.91Å |
| 276 | K | 29.8 | Very low | 33.4 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 96.2 | 146 | 163.1 | -62.5 | -158.7 | 148.7 | -72.4 | 0 | 117 | | |
| 277 | D | 29.2 | Very low | 33.8 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 58% | 0.583 | 79% | 0.785 | S | S | * | * | | | cis | -157.1 | 162.6 | -7.1 | -118.3 | 5.3 | 0 | 0 | 0 | 114.3 | | |
| 278 | Q | 32.4 | Very low | 34.1 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | 54.2 | 119.6 | 153.8 | -74.3 | -176 | -9.8 | 0 | 0 | 123.5 | | |
| 279 | E | 30.8 | Very low | 34.7 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | -112.5 | -175.7 | 143.3 | -129.7 | -156.8 | 138.9 | 0 | 0 | 107.2 | | |
| 280 | P | 54.9 | Low | 35 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 62% | 0.617 | 79% | 0.791 | S | S | * | * | | | cis | -128.3 | -170.6 | -26.2 | 41.4 | -27.2 | 0 | 0 | 0 | 111.9 | | |
| 281 | L | 29.7 | Very low | 35.1 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | -161.9 | 156.7 | 138.2 | -99.8 | -161.6 | 0 | 0 | 0 | 113.1 | | |
| 282 | L | 32.4 | Very low | 35.1 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -106 | 161.8 | -176.1 | -68.5 | 159 | 0 | 0 | 0 | 112.4 | | |
| 283 | S | 30.8 | Very low | 35.7 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | | 153.5 | 148.7 | 118.9 | -165.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 284 | D | 32.3 | Very low | 35.8 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -57.9 | 161.6 | -177.7 | -50.9 | -69.9 | 0 | 0 | 0 | 117.6 | | |
| 285 | C | 29.1 | Very low | 35.5 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | | | | -172 | 151.5 | 109.1 | -93.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 286 | T | 35.6 | Very low | 36.2 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | | | trans | -113.3 | 153.2 | 179.7 | 45 | 0 | 0 | 0 | 0 | 113.4 | | |
| 287 | S | 35.1 | Very low | 36.4 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -171.4 | 161 | 156.3 | -85.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 288 | A | 38.7 | Very low | 37.7 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | | | trans | -153.3 | -166.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 289 | I | 39.4 | Very low | 37.9 | Very low | 167 Ų | 167 | 137 Ų | 137 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | 81 | 132.8 | 177 | -46.6 | 171.3 | 0 | 0 | 0 | 111.7 | | |
| 290 | I | 36.5 | Very low | 38 | Very low | 172 Ų | 172 | 136 Ų | 136 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | cis | -131.3 | 164 | 38.9 | -62.6 | 163.8 | 0 | 0 | 0 | 109.6 | | |
| 291 | G | 32 | Very low | 37.2 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | cis | 171.8 | -159.3 | 2.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 292 | A | 33.3 | Very low | 37.4 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -159.7 | -164.7 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 293 | P | 62.8 | Low | 37.9 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | | | cis | -134.8 | -170.3 | -24.5 | 38.6 | -19.5 | 0 | 0 | 0 | 114.1 | | |
| 294 | L | 32.6 | Very low | 38.1 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | 161.3 | 160.6 | 133.1 | -84.7 | 171.7 | 0 | 0 | 0 | 114.5 | | |
| 295 | I | 36 | Very low | 39.3 | Very low | 161 Ų | 161 | 138 Ų | 138 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | | | trans | -144.9 | 134.5 | -161.5 | -62.9 | 160.1 | 0 | 0 | 0 | 115 | | |
| 296 | P | 46.8 | Very low | 39.4 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -135.1 | 166.3 | 160.8 | 37.2 | -21 | 0 | 0 | 0 | 116.3 | | |
| 297 | K | 33 | Very low | 39.5 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -174.2 | 158.1 | -172.2 | 171.5 | 165.2 | 176.3 | 178.5 | 0 | 109.4 | | |
| 298 | P | 57.7 | Low | 39.5 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | cis | -135.1 | -133.7 | 14.7 | 43.5 | -21.3 | 0 | 0 | 0 | 115.3 | | |
| 299 | T | 35.5 | Very low | 39.3 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | 74.6 | 160.9 | 172.2 | 35.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 300 | H | 33.3 | Very low | 39.1 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | cis | -143.5 | -169.4 | 15.5 | -165.6 | -108.7 | 0 | 0 | 0 | 114.5 | | |
| 301 | L | 39 | Very low | 38.9 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -85.6 | 154.9 | -177.7 | -56.1 | 172.3 | 0 | 0 | 0 | 116 | | |
| 302 | N | 33.5 | Very low | 39 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | | -167.8 | 173.7 | 111.8 | -130.1 | -18.2 | 0 | 0 | 0 | 115.3 | | |
| 303 | L | 42.4 | Very low | 39.8 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -137.5 | 150.5 | -172.7 | -70.9 | 162.6 | 0 | 0 | 0 | 114.1 | | |
| 304 | T | 34.9 | Very low | 38.3 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -159.8 | 138.4 | 161.4 | -8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 305 | P | 57.3 | Low | 39.3 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | trans | -133.4 | 172.8 | 173.7 | 42.4 | -29.1 | 0 | 0 | 0 | 117 | | |
| 306 | G | 32.1 | Very low | 39.2 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | trans | 156 | 139.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 307 | H | 37.2 | Very low | 38.5 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | cis | 72.7 | 134.1 | 36.4 | -65 | -67.9 | 0 | 0 | 0 | 115.2 | | |
| 308 | A | 35.4 | Very low | 38.8 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | | | cis | -168.1 | 165 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 309 | S | 35.4 | Very low | 38 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 58.4 | 141.6 | 150.3 | -57.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 310 | S | 33.8 | Very low | 38.1 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | | 138.7 | 118 | 116.1 | -160.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 311 | L | 32.3 | Very low | 38.8 | Very low | 169 Ų | 169 | 132 Ų | 132 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | | | trans | 61.5 | 159.4 | 144 | -64.9 | 173.6 | 0 | 0 | 0 | 123.8 | | |
| 312 | S | 33.9 | Very low | 39.1 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -120.2 | 174 | -178.3 | -43.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 313 | P | 50.5 | Low | 39.5 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | | | | -145.4 | 177.7 | 115.9 | 37.1 | -21.2 | 0 | 0 | 0 | 116.5 | | |
| 314 | S | 32.6 | Very low | 39.5 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -96.4 | -164.3 | -178 | -144 | 0 | 0 | 0 | 0 | 111.2 | | |
| 315 | P | 53.6 | Low | 39.8 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | cis | -141.4 | 176.8 | -5.8 | 43.2 | -25.6 | 0 | 0 | 0 | 117.2 | | |
| 316 | R | 31.9 | Very low | 39.2 | Very low | 247 Ų | 247 | 133.3 Ų | 133.3 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | | | | -171.2 | 145.8 | 121 | -162.1 | 161.6 | -176.3 | 153.7 | 2.6 | 112.3 | | |
| 317 | A | 33.6 | Very low | 39.5 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -94.3 | 173.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 318 | T | 37.9 | Very low | 39.5 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | cis | -100.3 | -163.2 | 29.2 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 319 | Q | 41.2 | Very low | 40.2 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | cis | -152.8 | -150.7 | 9 | -151.7 | 143.6 | -77 | 0 | 0 | 113.4 | | |
| 320 | S | 39 | Very low | 40.8 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -154.4 | 172.7 | -176.2 | 64.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 321 | P | 47.3 | Very low | 41.3 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | | | cis | -133.5 | -160.2 | 18.1 | 46.4 | -28.6 | 0 | 0 | 0 | 112.9 | | |
| 322 | P | 45 | Very low | 41.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | cis | -117 | -162 | -14.1 | 41.3 | -26.6 | 0 | 0 | 0 | 113 | | |
| 323 | K | 43.3 | Very low | 42 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | -113.7 | 148.3 | -176.5 | -56.7 | 175.1 | -178.3 | 177.2 | 0 | 112.4 | | |
| 324 | Q | 42.4 | Very low | 41.4 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | trans | -131.1 | 163.1 | 137.6 | -80.6 | -162.3 | -7.1 | 0 | 0 | 109.4 | | |
| 325 | T | 40.2 | Very low | 42.4 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | | | trans | -123.3 | 144.1 | -163.4 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 326 | V | 44.5 | Very low | 41.9 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | | | trans | -69.1 | 139.3 | 180 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 327 | F | 37.8 | Very low | 42.4 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -128.8 | 147.7 | 149.4 | -88.7 | -85.1 | 0 | 0 | 0 | 108.8 | | |
| 328 | S | 38.3 | Very low | 43 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | -77.3 | 141.1 | -165.4 | -50.4 | 0 | 0 | 0 | 0 | 114 | | |
| 329 | P | 50.8 | Low | 43 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | trans | -77.5 | 137.3 | 156.5 | 33.1 | -31 | 0 | 0 | 0 | 109.9 | | |
| 330 | C | 48.1 | Very low | 43 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -146.2 | 99.6 | 168.2 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 331 | V | 42.8 | Very low | 43.2 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -146.6 | 139.6 | 169.8 | -174.6 | 0 | 0 | 0 | 0 | 106.2 | | |
| 332 | D | 40.7 | Very low | 42.7 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -66.5 | 152.9 | -169.9 | -71.2 | -75.1 | 0 | 0 | 0 | 115.5 | | |
| 333 | V | 41.3 | Very low | 42.8 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -84 | 125.3 | 160.2 | 173.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 334 | F | 38.3 | Very low | 42.5 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | -118 | 126.7 | 170.4 | -132.1 | -88.6 | 0 | 0 | 0 | 109.8 | | |
| 335 | E | 51.7 | Low | 42.8 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -111.8 | 110 | -175.6 | -176.7 | -177.6 | 149.4 | 0 | 0 | 109.9 | G337 | E335-G337 PolarHBondContact O-N 2.88Å; E335-G337 VanDerWaalsContact O-N 3.17Å |
| 336 | P | 43.7 | Very low | 43.1 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -80.8 | 93.3 | 173.7 | -11.3 | 29.1 | 0 | 0 | 0 | 110.6 | | |
| 337 | G | 42.8 | Very low | 43.3 | Very low | 54 Ų | 54 | 145 Ų | 145 | 56% | 0.557 | 81% | 0.811 | S | S | * | * | | | trans | -62.7 | 161.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E335 | E335-G337 PolarHBondContact O-N 2.88Å; E335-G337 VanDerWaalsContact O-N 3.17Å |
| 338 | P | 45.3 | Very low | 43.6 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | -73.2 | 133.1 | -164.6 | 28.7 | -35.5 | 0 | 0 | 0 | 113.5 | | |
| 339 | A | 39.7 | Very low | 44 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 60% | 0.603 | 82% | 0.816 | S | S | * | * | | | trans | -84 | 113.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 340 | C | 41.2 | Very low | 44 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | -68.8 | 139.5 | 161.5 | -63.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 341 | W | 42.5 | Very low | 43.9 | Very low | 233 Ų | 233 | 140.1 Ų | 140.1 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -119.9 | 126.6 | 164.5 | -60.2 | 84.8 | 0 | 0 | 0 | 105.9 | | |
| 342 | E | 37.1 | Very low | 43.8 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -76.6 | 152.8 | 176.6 | -68.6 | 166.8 | 98.6 | 0 | 0 | 109.4 | G344 | E342-G344 PolarHBondContact O-N 2.95Š|
| 343 | D | 45.6 | Very low | 44 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | | | trans | -61.3 | 133.7 | 164.8 | -77.6 | -60.1 | 0 | 0 | 0 | 108.8 | | |
| 344 | G | 38.5 | Very low | 44.3 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -134.9 | 105.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | E342 E346 | E342-G344 PolarHBondContact O-N 2.95Å; G344-E346 PolarHBondContact O-N 3.43Å |
| 345 | D | 48 | Very low | 45 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -76.7 | 104.3 | -178.1 | -42.2 | -84 | 0 | 0 | 0 | 110.4 | | |
| 346 | E | 47.2 | Very low | 45 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -109.3 | 100 | 169.7 | -70.3 | -162 | 161.9 | 0 | 0 | 111 | G344 Q348 | G344-E346 PolarHBondContact O-N 3.43Å; E346-Q348 PolarHBondContact O-N 2.88Å |
| 347 | E | 48 | Very low | 45.5 | Very low | 198 Ų | 198 | 145 Ų | 145 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | trans | -63.4 | 124.9 | 161.9 | -65.5 | -174 | 124.8 | 0 | 0 | 109.6 | | |
| 348 | Q | 43.4 | Very low | 45.8 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -122.4 | 90.8 | 167 | -169.1 | 139.7 | 110.1 | 0 | 0 | 110.8 | E346 A350 | E346-Q348 PolarHBondContact O-N 2.88Å; Q348-A350 PolarHBondContact O-N 3.46Å |
| 349 | A | 47.8 | Very low | 46.1 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | | | trans | -69.3 | 119.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 350 | A | 50.7 | Low | 46.7 | Very low | 97 Ų | 97 | 155 Ų | 155 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | | | trans | -132.7 | 111.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q348 | Q348-A350 PolarHBondContact O-N 3.46Š|
| 351 | G | 44.8 | Very low | 47.3 | Very low | 71 Ų | 71 | 156.9 Ų | 156.9 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | | | trans | -99.4 | -179.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 352 | D | 40.4 | Very low | 47.8 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | | | trans | 74.9 | 117.5 | 164 | -64.8 | -5.1 | 0 | 0 | 0 | 119.3 | | |
| 353 | R | 46.8 | Very low | 48.3 | Very low | 205 Ų | 205 | 145 Ų | 145 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | | | trans | 78 | 152.7 | 148.1 | -59.8 | 178.5 | 97.2 | 75.6 | 22.7 | 118.7 | | |
| 354 | E | 45.8 | Very low | 48.4 | Very low | 136 Ų | 136 | 142 Ų | 142 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | cis | -111 | 173.7 | -2.1 | -63.8 | -87.1 | 50.5 | 0 | 0 | 111.5 | | |
| 355 | E | 54.7 | Low | 49 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -81 | 138.8 | 157 | -62.7 | 157.4 | 144.1 | 0 | 0 | 108.2 | | |
| 356 | D | 50.5 | Low | 49.2 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | -146 | 115.9 | 161.8 | -87.5 | -47.3 | 0 | 0 | 0 | 108 | | |
| 357 | E | 55.1 | Low | 49.4 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -90.6 | 122.6 | 169.9 | -63 | 177.5 | 136.2 | 0 | 0 | 108.3 | | |
| 358 | D | 49.7 | Very low | 49.1 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -152.3 | 90.1 | 169.1 | -104.9 | -30.9 | 0 | 0 | 0 | 109.6 | D360 | D358-D360 PolarHBondContact O-N 2.8Š|
| 359 | D | 50.2 | Low | 49.4 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -73.9 | 75.4 | 163.8 | -82.8 | -55.3 | 0 | 0 | 0 | 109 | M361 | D359-M361 PolarHBondContact O-N 2.03Š|
| 360 | D | 52.8 | Low | 49.3 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -62.8 | 107 | 177.4 | -172.1 | 28.1 | 0 | 0 | 0 | 110.3 | D358 | D358-D360 PolarHBondContact O-N 2.8Š|
| 361 | M | 53.8 | Low | 49.2 | Very low | 160 Ų | 160 | 153.9 Ų | 153.9 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -55.8 | 148.9 | -174.9 | -73.1 | -79.8 | -179.2 | 0 | 0 | 111.8 | D359 A363 | D359-M361 PolarHBondContact O-N 2.03Å; M361-A363 PolarHBondContact O-N 2.95Å |
| 362 | G | 52.6 | Low | 50 | Low | 82 Ų | 82 | 161.7 Ų | 161.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -58.9 | 94.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D364 | G362-D364 PolarHBondContact O-N 3.38Š|
| 363 | A | 47.4 | Very low | 50.4 | Low | 91 Ų | 91 | 161.1 Ų | 161.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -59.6 | 118.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M361 | M361-A363 PolarHBondContact O-N 2.95Š|
| 364 | D | 47.3 | Very low | 50.4 | Low | 102 Ų | 102 | 158.1 Ų | 158.1 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | | | trans | -75.2 | 135.9 | -172 | 71.5 | -71.6 | 0 | 0 | 0 | 112.2 | G362 S366 | G362-D364 PolarHBondContact O-N 3.38Å; D364-S366 PolarHBondContact O-N 3.25Å; D364-S366 WeakPolarHBondContact OD2-CB 3.18Å; D364-S366 PolarHBondContact OD2-N 2.03Å; D364-S366 PolarHBondContact OD2-OG 2.03Å |
| 365 | E | 51.4 | Low | 51.1 | Low | 192 Ų | 192 | 155.2 Ų | 155.2 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 13 | -178.8 | -64.3 | -161.9 | 137.5 | 0 | 0 | 113.8 | | |
| 366 | S | 52.3 | Low | 51.2 | Low | 84 Ų | 84 | 154.2 Ų | 154.2 | 59% | 0.587 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -36.4 | -173.5 | 88.5 | 0 | 0 | 0 | 0 | 113.8 | D364 Y368 | D364-S366 PolarHBondContact O-N 3.25Å; D364-S366 WeakPolarHBondContact OD2-CB 3.18Å; D364-S366 PolarHBondContact OD2-N 2.03Å; D364-S366 PolarHBondContact OD2-OG 2.03Å; S366-Y368 PolarHBondContact O-N 2.91Å; S366-Y368 VanDerWaalsContact O-N 3.08Å |
| 367 | Q | 51.5 | Low | 51.7 | Low | 161 Ų | 161 | 151.9 Ų | 151.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -21.1 | -164.1 | -156.3 | -176.5 | 66.2 | 0 | 0 | 114.3 | R369 | Q367-R369 PolarHBondContact O-N 2.81Š|
| 368 | Y | 42.9 | Very low | 51.9 | Low | 206 Ų | 206 | 146.9 Ų | 146.9 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 11.9 | -170.4 | -80.3 | -76.6 | 0 | 0 | 0 | 116.3 | S366 H370 | S366-Y368 PolarHBondContact O-N 2.91Å; S366-Y368 VanDerWaalsContact O-N 3.08Å; Y368-H370 PolarHBondContact O-N 3.26Å |
| 369 | R | 48.2 | Very low | 52 | Low | 226 Ų | 226 | 145.8 Ų | 145.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -94.4 | 88.8 | 180 | -69.6 | -166 | 174.8 | -171.9 | 1.2 | 114.4 | Q367 | Q367-R369 PolarHBondContact O-N 2.81Š|
| 370 | H | 47.3 | Very low | 52.4 | Low | 171 Ų | 171 | 146.2 Ų | 146.2 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | 61.3 | 95 | 154.5 | -84.3 | 70.8 | 0 | 0 | 0 | 118.1 | Y368 | Y368-H370 PolarHBondContact O-N 3.26Š|
| 371 | R | 48.4 | Very low | 52.3 | Low | 202 Ų | 202 | 144.2 Ų | 144.2 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -122.6 | 68.9 | 151.6 | -148.8 | 170.8 | -167.4 | -166.2 | -1.2 | 112.1 | L373 | R371-L373 HydrophobicContact CG-CD1 4.03Å; R371-L373 PolarHBondContact O-N 3.08Å |
| 372 | R | 61.3 | Low | 51.6 | Low | 235 Ų | 235 | 141.7 Ų | 141.7 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | trans | -82.8 | 89.7 | 162.2 | -82.4 | -170.3 | 170.3 | -147.4 | -1.8 | 109.3 | | |
| 373 | L | 47.7 | Very low | 51.5 | Low | 142 Ų | 142 | 148.8 Ų | 148.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -117.4 | 144.7 | 157.7 | -82.1 | 85.3 | 0 | 0 | 0 | 108.8 | R371 | R371-L373 HydrophobicContact CG-CD1 4.03Å; R371-L373 PolarHBondContact O-N 3.08Å |
| 374 | T | 47.2 | Very low | 51.1 | Low | 143 Ų | 143 | 150.5 Ų | 150.5 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -64 | 159.1 | 170 | 38.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 375 | G | 61.5 | Low | 50.6 | Low | 74 Ų | 74 | 155.7 Ų | 155.7 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -64.9 | 168 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 376 | D | 56.8 | Low | 50.3 | Low | 156 Ų | 156 | 152.6 Ų | 152.6 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | 63 | 77.4 | 175 | -164 | 18.1 | 0 | 0 | 0 | 117.4 | | |
| 377 | S | 59.6 | Low | 49.7 | Very low | 106 Ų | 106 | 157.3 Ų | 157.3 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -170.3 | 113.1 | 131.3 | -84 | 0 | 0 | 0 | 0 | 110.5 | I379 | S377-I379 PolarHBondContact O-N 3.01Å; S377-I379 VanDerWaalsContact O-N 3.14Å |
| 378 | G | 59.9 | Low | 49.3 | Very low | 87 Ų | 87 | 157.7 Ų | 157.7 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -79.8 | 86.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 379 | I | 51.7 | Low | 49.2 | Very low | 130 Ų | 130 | 156.1 Ų | 156.1 | 67% | 0.667 | 80% | 0.797 | S | S | * | * | | | trans | -126.3 | 124.8 | 155.9 | 64.2 | 168.8 | 0 | 0 | 0 | 110.8 | S377 | S377-I379 PolarHBondContact O-N 3.01Å; S377-I379 VanDerWaalsContact O-N 3.14Å |
| 380 | E | 59.6 | Low | 48.8 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -99.4 | 112.5 | 171.1 | 60.7 | -157.1 | 151.9 | 0 | 0 | 109.2 | C382 | E380-C382 PolarHBondContact O-N 2.8Š|
| 381 | V | 49.9 | Very low | 48.3 | Very low | 108 Ų | 108 | 153.6 Ų | 153.6 | 66% | 0.655 | 80% | 0.8 | S | S | * | * | | | trans | -92.3 | 92 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | R383 | V381-R383 PolarHBondContact O-N 3.46Å; V381-R383 VanDerWaalsContact O-N 3.17Å |
| 382 | C | 39 | Very low | 47.9 | Very low | 107 Ų | 107 | 153 Ų | 153 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | | | trans | -55.7 | 119.7 | 170.7 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | E380 | E380-C382 PolarHBondContact O-N 2.8Š|
| 383 | R | 50.6 | Low | 46.8 | Very low | 231 Ų | 231 | 149.4 Ų | 149.4 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -105.9 | 96.1 | 164.5 | -79 | -172 | 168.8 | -175.8 | -4.1 | 107.7 | V381 R385 | V381-R383 PolarHBondContact O-N 3.46Å; V381-R383 VanDerWaalsContact O-N 3.17Å; R383-R385 PolarHBondContact O-N 2.98Å |
| 384 | C | 38.8 | Very low | 46.5 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 86% | 0.858 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121.7 | 163.1 | -50.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 385 | R | 37.4 | Very low | 46.3 | Very low | 212 Ų | 212 | 154.8 Ų | 154.8 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87 | 137.7 | 160.6 | -176 | 174 | 171.6 | 88 | 6.6 | 105.8 | R383 E387 | R383-R385 PolarHBondContact O-N 2.98Å; R385-E387 PolarHBondContact O-N 3.21Å |
| 386 | V | 43.8 | Very low | 45.3 | Very low | 127 Ų | 127 | 160.6 Ų | 160.6 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 122.9 | 165.5 | 173.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 387 | E | 40.6 | Very low | 44.4 | Very low | 182 Ų | 182 | 162.5 Ų | 162.5 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 125.5 | 167.8 | -72.8 | 167.2 | 171.7 | 0 | 0 | 106.9 | R385 | R385-E387 PolarHBondContact O-N 3.21Š|
| 388 | E | 43.1 | Very low | 43.2 | Very low | 169 Ų | 169 | 167 Ų | 167 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | | | trans | -106.8 | 106 | 176.9 | -163.7 | 161.3 | -148.7 | 0 | 0 | 102.5 | E390 | E388-E390 PolarHBondContact O-N 2.61Š|
| 389 | E | 41.8 | Very low | 42.1 | Very low | 174 Ų | 174 | 171.2 Ų | 171.2 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | | | trans | -68.4 | 120 | -173.6 | -66.1 | 175.2 | 144.9 | 0 | 0 | 108.3 | | |
| 390 | E | 38.2 | Very low | 41.4 | Very low | 189 Ų | 189 | 172.9 Ų | 172.9 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | | | trans | -89.6 | 101.7 | 172.6 | -69.7 | -175 | 149 | 0 | 0 | 107.6 | E388 | E388-E390 PolarHBondContact O-N 2.61Š|
| 391 | D | 38.5 | Very low | 40.3 | Very low | 155 Ų | 155 | 172 Ų | 172 | 83% | 0.829 | 84% | 0.836 | S | S | * | * | | | trans | -62.6 | 138 | 179.4 | -67.4 | -59.9 | 0 | 0 | 0 | 112.1 | | |
| 392 | E | 39.2 | Very low | 39.7 | Very low | 188 Ų | 188 | 169.9 Ų | 169.9 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | | | trans | -89.9 | 125.3 | 176.1 | -67.3 | -171.9 | 143.8 | 0 | 0 | 112.3 | | |
| 393 | D | 38.4 | Very low | 39.5 | Very low | 160 Ų | 160 | 171.7 Ų | 171.7 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | | | trans | 12.6 | 111 | 159 | -58.9 | -25.3 | 0 | 0 | 0 | 120.6 | | |
| 394 | E | 41.6 | Very low | 39 | Very low | 199 Ų | 199 | 166.7 Ų | 166.7 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | | | trans | -127 | 115.2 | 147.6 | -74.3 | -164.2 | 161 | 0 | 0 | 111.2 | | |
| 395 | E | 43.1 | Very low | 38.7 | Very low | 200 Ų | 200 | 167.1 Ų | 167.1 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | | | trans | -95.1 | 93.1 | 169.3 | -73.6 | -168.8 | 150.1 | 0 | 0 | 110.9 | | |
| 396 | E | 39.3 | Very low | 38.9 | Very low | 196 Ų | 196 | 161.8 Ų | 161.8 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -135.4 | 162.7 | 160.4 | -75.9 | -153.4 | 172.4 | 0 | 0 | 112.7 | | |
| 397 | E | 39.3 | Very low | 38.5 | Very low | 195 Ų | 195 | 163.1 Ų | 163.1 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | | | trans | -84.1 | 133.9 | -159.3 | -56.6 | -174.1 | 146.7 | 0 | 0 | 114.7 | E399 | E397-E399 PolarHBondContact O-N 2.79Š|
| 398 | E | 34 | Very low | 38.5 | Very low | 200 Ų | 200 | 161 Ų | 161 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | | | trans | -72.9 | 106.6 | 167.8 | -83.6 | -159.8 | 168.5 | 0 | 0 | 112.4 | | |
| 399 | E | 36.4 | Very low | 38.5 | Very low | 176 Ų | 176 | 158.5 Ų | 158.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | -128.5 | 111.7 | 138.2 | -103.5 | -151.1 | -151.9 | 0 | 0 | 111.9 | E397 | E397-E399 PolarHBondContact O-N 2.79Š|
| 400 | K | 37.7 | Very low | 38.2 | Very low | 165 Ų | 165 | 156 Ų | 156 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | | 90.8 | 109.2 | 123.4 | -171.9 | -175.5 | 170.6 | -165.4 | 0 | 121.3 | | |
| 401 | D | 35.4 | Very low | 38.1 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | 81.6 | 150.2 | 132.4 | -158.8 | 19.1 | 0 | 0 | 0 | 120.3 | | |
| 402 | G | 37.3 | Very low | 37.8 | Very low | 63 Ų | 63 | 152.9 Ų | 152.9 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | 97.6 | 98.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 403 | D | 34.5 | Very low | 38.2 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | cis | 68.1 | 98 | 45.2 | -164.9 | 50.6 | 0 | 0 | 0 | 115.1 | | |
| 404 | T | 39.7 | Very low | 38 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | 161.7 | 120.1 | 142.8 | 32.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 405 | D | 34.1 | Very low | 37.5 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | cis | 90.4 | 110 | 44.4 | -161.8 | 50.7 | 0 | 0 | 0 | 114 | | |
| 406 | V | 40.3 | Very low | 37 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 61% | 0.606 | 79% | 0.793 | S | S | * | * | | | trans | 93.9 | 123.6 | 139.6 | 134 | 0 | 0 | 0 | 0 | 123.6 | | |
| 407 | H | 36.1 | Very low | 36.8 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | 55.1 | 104.7 | 149.8 | -63.2 | -49.9 | 0 | 0 | 0 | 123.8 | | |
| 408 | D | 40.4 | Very low | 36.4 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | | 22.6 | 116.6 | 100 | -175.3 | 21.1 | 0 | 0 | 0 | 117.6 | | |
| 409 | S | 42.3 | Very low | 36.5 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -155.8 | 133.1 | 158.9 | -84.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 410 | V | 36.2 | Very low | 36.2 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | | | trans | -69.9 | 152.3 | -177.5 | -71.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 411 | D | 37.2 | Very low | 35.8 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | 37.9 | 125.8 | 151.7 | -85 | -71.7 | 0 | 0 | 0 | 122 | | |
| 412 | C | 31 | Very low | 35.8 | Very low | 135 Ų | 135 | 134 Ų | 134 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | | | trans | -140.4 | 107.9 | 155.8 | -93 | 0 | 0 | 0 | 0 | 111.4 | | |
| 413 | P | 47.3 | Very low | 35.5 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -101.5 | 141.4 | -167.4 | 36.3 | -35 | 0 | 0 | 0 | 115.7 | | |
| 414 | A | 34.4 | Very low | 35.5 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -162.5 | 156.2 | 161 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 415 | R | 31 | Very low | 35.2 | Very low | 236 Ų | 236 | 139.6 Ų | 139.6 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | cis | -178.9 | 97.7 | -25.1 | 174 | -161.7 | 166.6 | 134.8 | -2.1 | 109.2 | | |
| 416 | S | 32.7 | Very low | 35.6 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -174.4 | 134.4 | 140.8 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 417 | Q | 35.4 | Very low | 34.8 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | | | trans | -63 | 157.9 | 167.7 | -61.7 | 160.5 | 0.8 | 0 | 0 | 109.5 | | |
| 418 | M | 32 | Very low | 34.9 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | cis | -160 | 148.7 | 40.8 | 48 | 152.2 | 164.1 | 0 | 0 | 114 | | |
| 419 | S | 34.8 | Very low | 34.7 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -171.3 | 92.5 | 137.6 | -168.6 | 0 | 0 | 0 | 0 | 110 | | |
| 420 | T | 29.9 | Very low | 34.1 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | -76.7 | 143.5 | 160 | 45.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 421 | G | 30.2 | Very low | 33.9 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | | | cis | 125.1 | 107.6 | 6.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 422 | D | 35.6 | Very low | 33.6 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | -169.9 | 99.9 | 170.1 | -85.4 | -38.8 | 0 | 0 | 0 | 103.3 | | |
| 423 | E | 31.3 | Very low | 33.6 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | | 61.5 | 110.4 | 57.1 | -169.9 | 163.2 | 117.5 | 0 | 0 | 114.5 | | |
| 424 | L | 34.2 | Very low | 32.9 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | -168.5 | 101.5 | 134.7 | -100 | -168.2 | 0 | 0 | 0 | 112.9 | | |
| 425 | T | 33.1 | Very low | 32.7 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | | | trans | 63.8 | 158.2 | 141.7 | 44.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 426 | P | 41.4 | Very low | 32.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | trans | -134.4 | -179.9 | -142.6 | 44.7 | -29.2 | 0 | 0 | 0 | 116.9 | | |
| 427 | C | 25.3 | Very low | 33.2 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 91% | 0.905 | 79% | 0.794 | S | S | * | * | | | trans | -128.2 | 113 | 156.3 | -80.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 428 | N | 36.6 | Very low | 34.3 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | | | trans | -86.4 | 158.2 | 163 | -166.8 | 14.5 | 0 | 0 | 0 | 108.4 | S430 | N428-S430 PolarHBondContact ND2-OG 3Å; N428-S430 PolarHBondContact OD1-N 3.35Å |
| 429 | P | 36.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | | -145.6 | 148.2 | 98 | 37.2 | -21.9 | 0 | 0 | 0 | 115.2 | | |
| 430 | S | 31.3 | Very low | 34.9 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | -82.6 | 152.5 | 175.2 | -49.1 | 0 | 0 | 0 | 0 | 112.8 | N428 | N428-S430 PolarHBondContact ND2-OG 3Å; N428-S430 PolarHBondContact OD1-N 3.35Å |
| 431 | T | 31 | Very low | 35.6 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | | | trans | -75.4 | 127.7 | -176.5 | -49 | 0 | 0 | 0 | 0 | 113.7 | | |
| 432 | S | 31.3 | Very low | 36 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -156.1 | 108.3 | 151.2 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 433 | V | 31.2 | Very low | 36.4 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | -140.6 | 127.4 | 172.5 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 434 | T | 32.5 | Very low | 36.6 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | -142.2 | 132.8 | 161.3 | -56.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 435 | T | 30.3 | Very low | 37.1 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | 160.2 | 128.8 | 133.8 | -68.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 436 | S | 34.2 | Very low | 37.4 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | trans | 63.4 | 114.5 | 152.1 | 74.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 437 | T | 39.3 | Very low | 37.6 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | | | | 80.7 | 147.1 | 125.3 | 53.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 438 | P | 58.3 | Low | 38.7 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | trans | -141.4 | -165.1 | -139.5 | 45 | -24.6 | 0 | 0 | 0 | 115.4 | | |
| 439 | E | 42.3 | Very low | 38.8 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | 64.2 | 119.1 | 155 | -70.8 | 170.1 | -115.3 | 0 | 0 | 119.6 | | |
| 440 | E | 38.4 | Very low | 38.9 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | | -148.5 | 164.7 | 104.5 | -167.7 | 156.1 | -160.3 | 0 | 0 | 110.4 | | |
| 441 | K | 42.8 | Very low | 39.3 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 74% | 0.735 | 81% | 0.807 | S | S | * | * | | | trans | -124.7 | 120.3 | -165.6 | 163 | -158.6 | 170.5 | -172.9 | 0 | 110.3 | | |
| 442 | V | 38.8 | Very low | 39.8 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | | | trans | -133 | 140.6 | 163 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 443 | I | 44.1 | Very low | 40.3 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 62% | 0.621 | 81% | 0.806 | S | S | * | * | | | trans | -118.7 | 144.4 | 179.8 | -57.3 | 160.7 | 0 | 0 | 0 | 106.4 | | |
| 444 | I | 36.4 | Very low | 40.8 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | | | trans | -179.9 | 129.5 | 136.5 | -95 | 153.7 | 0 | 0 | 0 | 112.2 | | |
| 445 | V | 44.3 | Very low | 41.4 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | | | trans | 8.5 | 132 | 148 | -169.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 446 | M | 39.2 | Very low | 42.2 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -131.3 | 111.9 | 133.1 | -80.8 | -179.5 | 66.3 | 0 | 0 | 109.5 | | |
| 447 | E | 45.8 | Very low | 42.8 | Very low | 171 Ų | 171 | 154.2 Ų | 154.2 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | | | trans | -82.6 | 174.5 | 152.5 | -163.8 | 169 | 164.5 | 0 | 0 | 108.3 | | |
| 448 | T | 49.6 | Very low | 43.1 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 73% | 0.73 | 82% | 0.822 | S | S | * | * | | | trans | -81 | 151.2 | -156.3 | 56.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 449 | V | 37.1 | Very low | 41.7 | Very low | 209 Ų | 209 | 161.1 Ų | 161.1 | 100% | 1.267 | 84% | 0.838 | S | S | * | * | | | trans | 80.9 | 0 | 168.2 | -167.7 | 0 | 0 | 0 | 0 | 115.3 | | |