| 1 | M | 26.8 | Very low | 28.7 | Very low | 233 Ų | 233 | 135 Ų | 135 | 100% | 1.148 | 71% | 0.708 | S | S | * | * | | | | 0 | 108.8 | 0 | -68.5 | -159.2 | 167.1 | 0 | 0 | 108.9 | | |
| 2 | P | 26.1 | Very low | 29.7 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | | | trans | -102.1 | 108.6 | 175.6 | 28.7 | -14.1 | 0 | 0 | 0 | 111.5 | | |
| 3 | Y | 24.4 | Very low | 30.4 | Very low | 203 Ų | 203 | 128.1 Ų | 128.1 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | | | trans | 34 | 82.2 | 141.1 | -52.6 | -78.9 | 0 | 0 | 0 | 119.6 | N5 | Y3-N5 VanDerWaalsContact C-N 3.33Å; Y3-N5 PolarHBondContact O-N 3.34Å |
| 4 | L | 24.5 | Very low | 31 | Very low | 184 Ų | 184 | 124.9 Ų | 124.9 | 96% | 0.963 | 66% | 0.663 | S | S | * | * | | | trans | -84.8 | 77 | 150.7 | -97.9 | 145.1 | 0 | 0 | 0 | 108.4 | | |
| 5 | N | 24.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 120 Ų | 120 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | | | trans | -99.5 | 114.3 | 174.9 | -95.2 | -13.4 | 0 | 0 | 0 | 111 | Y3 | Y3-N5 VanDerWaalsContact C-N 3.33Å; Y3-N5 PolarHBondContact O-N 3.34Å |
| 6 | S | 24.8 | Very low | 32 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | | | trans | 56.7 | 77.1 | 144.1 | 70.6 | 0 | 0 | 0 | 0 | 118.4 | T8 | S6-T8 PolarHBondContact O-N 3.45Š|
| 7 | I | 29.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 90% | 0.903 | 63% | 0.633 | S | S | * | * | | | trans | -90.7 | 84.9 | 150.6 | -60.6 | 175.3 | 0 | 0 | 0 | 106.7 | S9 | I7-S9 PolarHBondContact O-N 3.07Š|
| 8 | T | 31.7 | Very low | 32.7 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 49% | 0.485 | 62% | 0.623 | S | S | . | * | | | trans | -71 | 111.3 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 110 | S6 R10 | S6-T8 PolarHBondContact O-N 3.45Å; T8-R10 WeakPolarHBondContact O-CG 3.21Å; T8-R10 PolarHBondContact O-N 3.44Å |
| 9 | S | 32.9 | Very low | 33 | Very low | 64 Ų | 64 | 118.8 Ų | 118.8 | 45% | 0.448 | 63% | 0.631 | S | S | . | * | | | trans | 21.2 | 56.1 | 140.5 | 52.9 | 0 | 0 | 0 | 0 | 119.6 | I7 | I7-S9 PolarHBondContact O-N 3.07Š|
| 10 | R | 32.4 | Very low | 33.3 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 56% | 0.555 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 132.3 | 175.5 | -74.2 | 174.8 | -165.8 | -158.9 | 8.1 | 111.5 | T8 E40 | T8-R10 WeakPolarHBondContact O-CG 3.21Å; T8-R10 PolarHBondContact O-N 3.44Å; R10-E40 PolarHBondContact NH1-O 2.98Å |
| 11 | P | 37.9 | Very low | 33.4 | Very low | 60 Ų | 60 | 119.5 Ų | 119.5 | 39% | 0.39 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 134.7 | 178.7 | 26.6 | -33.5 | 0 | 0 | 0 | 111.1 | | |
| 12 | I | 39.9 | Very low | 33.9 | Very low | 109 Ų | 109 | 113.5 Ų | 113.5 | 56% | 0.559 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 128.3 | 179 | -62.6 | 165.1 | 0 | 0 | 0 | 108.4 | V14 L69 | I12-V14 HydrophobicContact CG2-CG2 4.1Å; I12-L69 HydrophobicContact CD1-CD2 3.64Å |
| 13 | V | 39.2 | Very low | 34.6 | Very low | 71 Ų | 71 | 115.3 Ų | 115.3 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -96.6 | 117.7 | 172.5 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 14 | V | 38.2 | Very low | 35.2 | Very low | 83 Ų | 83 | 106 Ų | 106 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -102.6 | 123.2 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | I12 W16 | I12-V14 HydrophobicContact CG2-CG2 4.1Å; V14-W16 HydrophobicContact CG1-CZ2 4.41Å |
| 15 | S | 39.3 | Very low | 35.7 | Very low | 52 Ų | 52 | 102.5 Ų | 102.5 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | | | trans | -120.9 | 129.7 | 169.2 | 71.8 | 0 | 0 | 0 | 0 | 109.6 | P17 | S15-P17 WeakPolarHBondContact O-CD 3.4Š|
| 16 | W | 40 | Very low | 36.4 | Very low | 204 Ų | 204 | 98.9 Ų | 98.9 | 77% | 0.773 | 54% | 0.541 | S | S | * | . | | | trans | -95.6 | 104.9 | 176.8 | -58.8 | 88.5 | 0 | 0 | 0 | 109.4 | V14 T18 | V14-W16 HydrophobicContact CG1-CZ2 4.41Å; W16-T18 PolarHBondContact O-N 2.76Å |
| 17 | P | 38.5 | Very low | 37.3 | Very low | 52 Ų | 52 | 96.4 Ų | 96.4 | 34% | 0.338 | 52% | 0.52 | S | S | . | . | | | trans | -80.5 | 110.9 | 166.1 | 30.6 | -30.1 | 0 | 0 | 0 | 108.5 | S15 T19 | S15-P17 WeakPolarHBondContact O-CD 3.4Å; P17-T19 PolarHBondContact O-N 3.08Å |
| 18 | T | 36.8 | Very low | 37.7 | Very low | 75 Ų | 75 | 92.9 Ų | 92.9 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | | | trans | -71.3 | 116.9 | 162 | 43.5 | 0 | 0 | 0 | 0 | 107.1 | W16 N20 W21 C24 | W16-T18 PolarHBondContact O-N 2.76Å; T18-N20 PolarHBondContact O-N 2.89Å; T18-W21 PolarHBondContact O-N 3.33Å; T18-W21 WeakPolarHBondContact OG1-CB 3.07Å; T18-C24 PolarHBondContact OG1-SG 3.01Å |
| 19 | T | 38.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 98.7 Ų | 98.7 | 77% | 0.773 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -6.4 | -174.9 | 33.9 | 0 | 0 | 0 | 0 | 114.2 | P17 | P17-T19 PolarHBondContact O-N 3.08Š|
| 20 | N | 40 | Very low | 38.7 | Very low | 141 Ų | 141 | 98.9 Ų | 98.9 | 75% | 0.754 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | 16.5 | -179.2 | -79.9 | -15.7 | 0 | 0 | 0 | 114.5 | T18 | T18-N20 PolarHBondContact O-N 2.89Š|
| 21 | W | 36 | Very low | 39.3 | Very low | 112 Ų | 112 | 93.1 Ų | 93.1 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | | | trans | -112 | 123 | 173.1 | -97.2 | 28.9 | 0 | 0 | 0 | 112.7 | T18 F23 C24 G82 | T18-W21 PolarHBondContact O-N 3.33Å; T18-W21 WeakPolarHBondContact OG1-CB 3.07Å; W21-F23 HydrophobicContact CE3-CB 4.23Å; W21-F23 PolarHBondContact O-N 3.01Å; W21-C24 PolarHBondContact O-N 2.79Å; W21-C24 VanDerWaalsContact O-N 3.07Å; W21-G82 WeakPolarHBondContact CH2-O 3.32Å; W21-G82 WeakPolarHBondContact CZ3-O 3.39Å |
| 22 | P | 36.9 | Very low | 39.7 | Very low | 107 Ų | 107 | 98.8 Ų | 98.8 | 70% | 0.695 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -20.7 | 176.5 | 21.9 | -30.2 | 0 | 0 | 0 | 113 | | |
| 23 | F | 39.5 | Very low | 40 | Very low | 155 Ų | 155 | 100 Ų | 100 | 68% | 0.68 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -29.4 | 176.7 | -78.7 | -84.7 | 0 | 0 | 0 | 114.2 | W21 G26 | W21-F23 HydrophobicContact CE3-CB 4.23Å; W21-F23 PolarHBondContact O-N 3.01Å; F23-G26 PolarHBondContact O-N 2.93Å |
| 24 | C | 37.4 | Very low | 40.1 | Very low | 8 Ų | 8 | 99 Ų | 99 | 5% | 0.054 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -25.4 | -179.3 | -73.8 | 0 | 0 | 0 | 0 | 113.1 | T18 W21 G26 L27 | T18-C24 PolarHBondContact OG1-SG 3.01Å; W21-C24 PolarHBondContact O-N 2.79Å; W21-C24 VanDerWaalsContact O-N 3.07Å; C24-G26 PolarHBondContact O-N 3.4Å; C24-L27 PolarHBondContact O-N 3.12Å |
| 25 | N | 36.3 | Very low | 40.4 | Very low | 110 Ų | 110 | 96.5 Ų | 96.5 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -26.4 | 171.7 | -80 | -20.4 | 0 | 0 | 0 | 112.6 | L27 | N25-L27 VanDerWaalsContact C-N 3.32Å; N25-L27 PolarHBondContact O-N 2.9Å |
| 26 | G | 38.6 | Very low | 40.5 | Very low | 50 Ų | 50 | 102.1 Ų | 102.1 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.4 | -26.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F23 C24 P30 | F23-G26 PolarHBondContact O-N 2.93Å; C24-G26 PolarHBondContact O-N 3.4Å; G26-P30 WeakPolarHBondContact O-CD 3.39Å |
| 27 | L | 42.8 | Very low | 40.7 | Very low | 43 Ų | 43 | 99.7 Ų | 99.7 | 23% | 0.225 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -92 | -18.8 | -174.9 | -76.5 | 175.2 | 0 | 0 | 0 | 114.5 | C24 N25 R29 P30 V31 N79 C81 | C24-L27 PolarHBondContact O-N 3.12Å; N25-L27 VanDerWaalsContact C-N 3.32Å; N25-L27 PolarHBondContact O-N 2.9Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 3.39Å; L27-P30 WeakPolarHBondContact O-CD 3.5Å; L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.34Å; L27-V31 PolarHBondContact O-N 3.18Å; L27-V31 VanDerWaalsContact O-N 3.16Å; L27-N79 VanDerWaalsContact CD1-ND2 3.32Å; L27-N79 WeakPolarHBondContact CD1-ND2 3.33Å; L27-N79 VanDerWaalsContact CD2-ND2 3.31Å; L27-N79 WeakPolarHBondContact CD2-ND2 3.18Å; L27-C81 HydrophobicContact CD1-CB 4.43Å; L27-C81 WeakPolarHBondContact CD1-SG 3.35Å |
| 28 | Q | 40.1 | Very low | 40.9 | Very low | 103 Ų | 103 | 100.3 Ų | 100.3 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 174.3 | -82.8 | -173.5 | -15.6 | 0 | 0 | 111.6 | W32 | Q28-W32 VanDerWaalsContact O-CB 3.28Å; Q28-W32 WeakPolarHBondContact O-CB 3.32Å; Q28-W32 PolarHBondContact O-N 2.92Å |
| 29 | R | 39 | Very low | 41.2 | Very low | 200 Ų | 200 | 101.2 Ų | 101.2 | 76% | 0.755 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -49 | -178.7 | -75.5 | -180 | 177.7 | -179.8 | -0.3 | 113.2 | L27 K33 | L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 3.39Å; R29-K33 WeakPolarHBondContact O-CB 3.36Å; R29-K33 WeakPolarHBondContact O-CG 3.32Å; R29-K33 PolarHBondContact O-N 2.63Å |
| 30 | P | 45.3 | Very low | 41.4 | Very low | 69 Ų | 69 | 102.4 Ų | 102.4 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 174.6 | -25.9 | 32.2 | 0 | 0 | 0 | 114 | G26 L27 K33 A34 | G26-P30 WeakPolarHBondContact O-CD 3.39Å; L27-P30 WeakPolarHBondContact O-CD 3.5Å; P30-K33 PolarHBondContact O-N 2.93Å; P30-A34 VanDerWaalsContact O-CB 3.32Å; P30-A34 WeakPolarHBondContact O-CB 3.28Å; P30-A34 PolarHBondContact O-N 3.05Å |
| 31 | V | 46.1 | Very low | 41.5 | Very low | 25 Ų | 25 | 101.3 Ų | 101.3 | 15% | 0.152 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | -178.8 | 175 | 0 | 0 | 0 | 0 | 110.8 | L27 A34 A35 | L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.34Å; L27-V31 PolarHBondContact O-N 3.18Å; L27-V31 VanDerWaalsContact O-N 3.16Å; V31-A34 PolarHBondContact O-N 3.21Å; V31-A35 WeakPolarHBondContact O-CB 3.02Å; V31-A35 PolarHBondContact O-N 3.07Å |
| 32 | W | 45.2 | Very low | 41.4 | Very low | 180 Ų | 180 | 105.7 Ų | 105.7 | 68% | 0.682 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 172.9 | -91.2 | 59.4 | 0 | 0 | 0 | 112.7 | Q28 A35 K36 | Q28-W32 VanDerWaalsContact O-CB 3.28Å; Q28-W32 WeakPolarHBondContact O-CB 3.32Å; Q28-W32 PolarHBondContact O-N 2.92Å; W32-A35 PolarHBondContact O-N 3.44Å; W32-K36 VanDerWaalsContact O-CB 3.32Å; W32-K36 WeakPolarHBondContact O-CB 3.34Å; W32-K36 PolarHBondContact O-N 2.94Å |
| 33 | K | 45.7 | Very low | 41.4 | Very low | 134 Ų | 134 | 102.7 Ų | 102.7 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 173.8 | -80 | -178.7 | 177.6 | -174.6 | 0 | 110.9 | R29 P30 A35 K36 F37 | R29-K33 WeakPolarHBondContact O-CB 3.36Å; R29-K33 WeakPolarHBondContact O-CG 3.32Å; R29-K33 PolarHBondContact O-N 2.63Å; P30-K33 PolarHBondContact O-N 2.93Å; K33-A35 VanDerWaalsContact C-N 3.31Å; K33-A35 PolarHBondContact O-N 2.73Å; K33-K36 PolarHBondContact O-N 2.79Å; K33-K36 VanDerWaalsContact O-N 3.12Å; K33-F37 HydrophobicContact CB-CD2 4.31Å; K33-F37 HydrophobicContact CB-CE2 4.31Å; K33-F37 HydrophobicContact CG-CE2 4.49Å; K33-F37 WeakPolarHBondContact O-CD2 3.29Å; K33-F37 PolarHBondContact O-N 3.47Å |
| 34 | A | 42.5 | Very low | 41.2 | Very low | 50 Ų | 50 | 104.1 Ų | 104.1 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P30 V31 N38 | P30-A34 VanDerWaalsContact O-CB 3.32Å; P30-A34 WeakPolarHBondContact O-CB 3.28Å; P30-A34 PolarHBondContact O-N 3.05Å; V31-A34 PolarHBondContact O-N 3.21Å; A34-N38 PolarHBondContact O-N 3.35Å; A34-N38 PolarHBondContact O-ND2 3.02Å |
| 35 | A | 43.8 | Very low | 40.9 | Very low | 30 Ų | 30 | 105.9 Ų | 105.9 | 25% | 0.248 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V31 W32 K33 V43 | V31-A35 WeakPolarHBondContact O-CB 3.02Å; V31-A35 PolarHBondContact O-N 3.07Å; W32-A35 PolarHBondContact O-N 3.44Å; K33-A35 VanDerWaalsContact C-N 3.31Å; K33-A35 PolarHBondContact O-N 2.73Å; A35-V43 HydrophobicContact CB-CB 3.59Å; A35-V43 HydrophobicContact CB-CG1 4.27Å; A35-V43 HydrophobicContact CB-CG2 3.63Å |
| 36 | K | 42 | Very low | 40.7 | Very low | 170 Ų | 170 | 105.7 Ų | 105.7 | 74% | 0.739 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | 178.8 | -171.3 | 178.1 | -178.5 | 179.8 | 0 | 112.7 | W32 K33 | W32-K36 VanDerWaalsContact O-CB 3.32Å; W32-K36 WeakPolarHBondContact O-CB 3.34Å; W32-K36 PolarHBondContact O-N 2.94Å; K33-K36 PolarHBondContact O-N 2.79Å; K33-K36 VanDerWaalsContact O-N 3.12Å |
| 37 | F | 44.5 | Very low | 40.3 | Very low | 154 Ų | 154 | 108.9 Ų | 108.9 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -87 | -10.3 | -178.1 | -72.2 | -68.2 | 0 | 0 | 0 | 114.3 | K33 | K33-F37 HydrophobicContact CB-CD2 4.31Å; K33-F37 HydrophobicContact CB-CE2 4.31Å; K33-F37 HydrophobicContact CG-CE2 4.49Å; K33-F37 WeakPolarHBondContact O-CD2 3.29Å; K33-F37 PolarHBondContact O-N 3.47Å |
| 38 | N | 42.5 | Very low | 39.6 | Very low | 64 Ų | 64 | 111 Ų | 111 | 34% | 0.342 | 54% | 0.537 | S | S | . | . | | | trans | -125.6 | 71.3 | 176.2 | -63.5 | -91.4 | 0 | 0 | 0 | 110.2 | A34 E40 K41 | A34-N38 PolarHBondContact O-N 3.35Å; A34-N38 PolarHBondContact O-ND2 3.02Å; N38-E40 PolarHBondContact O-N 3.34Å; N38-K41 HydrophobicContact CB-CB 3.78Å; N38-K41 HydrophobicContact CB-CD 3.97Å; N38-K41 HydrophobicContact CB-CG 4.03Å; N38-K41 CarbonylContact O-C 3.06Å; N38-K41 WeakPolarHBondContact O-CA 3.24Å; N38-K41 PolarHBondContact O-N 2.81Å |
| 39 | P | 43.4 | Very low | 39.1 | Very low | 94 Ų | 94 | 109.7 Ų | 109.7 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.3 | -178.4 | 25.5 | -34.5 | 0 | 0 | 0 | 112.9 | R42 | P39-R42 WeakPolarHBondContact O-CG 3.18Å; P39-R42 PolarHBondContact O-N 2.92Å |
| 40 | E | 42.3 | Very low | 38.5 | Very low | 151 Ų | 151 | 104.1 Ų | 104.1 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -35.7 | 174.6 | -54.3 | -166.5 | -167.1 | 0 | 0 | 112.5 | R10 N38 R42 | R10-E40 PolarHBondContact NH1-O 2.98Å; N38-E40 PolarHBondContact O-N 3.34Å; E40-R42 PolarHBondContact O-N 3.33Å; E40-R42 VanDerWaalsContact O-N 3.08Å |
| 41 | K | 42.1 | Very low | 37.7 | Very low | 118 Ų | 118 | 102.6 Ų | 102.6 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -85.1 | 65.9 | 164 | -55 | 177.5 | -174.8 | 172.5 | 0 | 106.4 | N38 V43 | N38-K41 HydrophobicContact CB-CB 3.78Å; N38-K41 HydrophobicContact CB-CD 3.97Å; N38-K41 HydrophobicContact CB-CG 4.03Å; N38-K41 CarbonylContact O-C 3.06Å; N38-K41 WeakPolarHBondContact O-CA 3.24Å; N38-K41 PolarHBondContact O-N 2.81Å; K41-V43 PolarHBondContact O-N 3.16Å |
| 42 | R | 34.4 | Very low | 36.7 | Very low | 205 Ų | 205 | 105.5 Ų | 105.5 | 77% | 0.774 | 55% | 0.552 | S | S | * | * | | | trans | -53.1 | 95.4 | 167.3 | -80 | -166.4 | 172.1 | -178.4 | -3.7 | 106.2 | P39 E40 K44 | P39-R42 WeakPolarHBondContact O-CG 3.18Å; P39-R42 PolarHBondContact O-N 2.92Å; E40-R42 PolarHBondContact O-N 3.33Å; E40-R42 VanDerWaalsContact O-N 3.08Å; R42-K44 PolarHBondContact O-N 3.3Å |
| 43 | V | 35.5 | Very low | 35.9 | Very low | 43 Ų | 43 | 105.6 Ų | 105.6 | 26% | 0.261 | 56% | 0.56 | S | S | . | * | | | trans | -60.8 | 93.6 | 153.7 | -178.3 | 0 | 0 | 0 | 0 | 100.2 | A35 K41 G45 | A35-V43 HydrophobicContact CB-CB 3.59Å; A35-V43 HydrophobicContact CB-CG1 4.27Å; A35-V43 HydrophobicContact CB-CG2 3.63Å; K41-V43 PolarHBondContact O-N 3.16Å; V43-G45 PolarHBondContact O-N 2.88Å |
| 44 | K | 34.8 | Very low | 35 | Very low | 185 Ų | 185 | 103.6 Ų | 103.6 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | | | trans | -55.2 | 98.5 | 153.4 | -81.6 | -170 | 176.4 | -176.3 | 0 | 101.1 | R42 I46 | R42-K44 PolarHBondContact O-N 3.3Å; K44-I46 PolarHBondContact O-N 2.77Å |
| 45 | G | 31.3 | Very low | 34.3 | Very low | 46 Ų | 46 | 104.9 Ų | 104.9 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | | | trans | -47.7 | 127.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 102.6 | V43 | V43-G45 PolarHBondContact O-N 2.88Š|
| 46 | I | 31.9 | Very low | 33.4 | Very low | 105 Ų | 105 | 109.7 Ų | 109.7 | 54% | 0.538 | 60% | 0.595 | S | S | . | * | | | trans | 71.5 | 64 | 135.8 | -59.7 | 168.9 | 0 | 0 | 0 | 110.1 | K44 I48 | K44-I46 PolarHBondContact O-N 2.77Å; I46-I48 HydrophobicContact CB-CB 4.32Å; I46-I48 HydrophobicContact CB-CD1 3.84Å; I46-I48 HydrophobicContact CB-CG1 3.61Å; I46-I48 HydrophobicContact CD1-CD1 3.77Å; I46-I48 HydrophobicContact CD1-CG1 4.39Å; I46-I48 HydrophobicContact CG1-CD1 3.56Å; I46-I48 HydrophobicContact CG1-CG1 3.62Å; I46-I48 HydrophobicContact CG2-CB 3.52Å; I46-I48 HydrophobicContact CG2-CD1 3.22Å; I46-I48 HydrophobicContact CG2-CG1 3.19Å; I46-I48 PolarHBondContact O-N 3.24Å; I46-I48 VanDerWaalsContact O-N 3.07Å |
| 47 | D | 30.3 | Very low | 32.6 | Very low | 117 Ų | 117 | 110 Ų | 110 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | | | | -71.4 | 66.9 | 122.3 | -82.1 | -27.4 | 0 | 0 | 0 | 105.1 | I49 Y67 | D47-I49 PolarHBondContact O-N 2.74Å; D47-Y67 HydrophobicContact CB-CE1 4.39Å; D47-Y67 WeakPolarHBondContact OD2-CD1 3.31Å; D47-Y67 WeakPolarHBondContact OD2-CE1 3.32Å |
| 48 | I | 28.8 | Very low | 31.6 | Very low | 87 Ų | 87 | 110.1 Ų | 110.1 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | | | trans | -65.6 | 95.6 | 156.8 | -70.2 | 171.7 | 0 | 0 | 0 | 100.2 | I46 A50 | I46-I48 HydrophobicContact CB-CB 4.32Å; I46-I48 HydrophobicContact CB-CD1 3.84Å; I46-I48 HydrophobicContact CB-CG1 3.61Å; I46-I48 HydrophobicContact CD1-CD1 3.77Å; I46-I48 HydrophobicContact CD1-CG1 4.39Å; I46-I48 HydrophobicContact CG1-CD1 3.56Å; I46-I48 HydrophobicContact CG1-CG1 3.62Å; I46-I48 HydrophobicContact CG2-CB 3.52Å; I46-I48 HydrophobicContact CG2-CD1 3.22Å; I46-I48 HydrophobicContact CG2-CG1 3.19Å; I46-I48 PolarHBondContact O-N 3.24Å; I46-I48 VanDerWaalsContact O-N 3.07Å; I48-A50 HydrophobicContact CG2-CB 3.93Å; I48-A50 PolarHBondContact O-N 3.45Å |
| 49 | I | 28.9 | Very low | 30.8 | Very low | 77 Ų | 77 | 113.7 Ų | 113.7 | 40% | 0.395 | 63% | 0.63 | S | S | . | * | | | trans | -56.8 | 93.7 | 147.1 | -59.1 | -179.7 | 0 | 0 | 0 | 102.8 | D47 G51 Y67 | D47-I49 PolarHBondContact O-N 2.74Å; I49-G51 PolarHBondContact O-N 3.25Å; I49-Y67 HydrophobicContact CD1-CD2 3.76Å; I49-Y67 HydrophobicContact CD1-CE2 3.7Å; I49-Y67 HydrophobicContact CG1-CD2 4.2Å; I49-Y67 HydrophobicContact CG1-CE2 3.67Å |
| 50 | A | 27.9 | Very low | 29.8 | Very low | 82 Ų | 82 | 112.2 Ų | 112.2 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | | | trans | -70.4 | 58.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | I48 A52 | I48-A50 HydrophobicContact CG2-CB 3.93Å; I48-A50 PolarHBondContact O-N 3.45Å; A50-A52 PolarHBondContact O-N 3.1Å |
| 51 | G | 27 | Very low | 29 | Very low | 38 Ų | 38 | 114.4 Ų | 114.4 | 39% | 0.392 | 64% | 0.641 | S | S | . | * | | | trans | -84.1 | 78.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | I49 H53 | I49-G51 PolarHBondContact O-N 3.25Å; G51-H53 VanDerWaalsContact C-N 3.27Å; G51-H53 PolarHBondContact O-N 3.48Å |
| 52 | A | 26.2 | Very low | 28.2 | Very low | 85 Ų | 85 | 113.5 Ų | 113.5 | 70% | 0.702 | 65% | 0.65 | S | S | * | * | | | trans | -54.6 | 100.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | A50 S54 | A50-A52 PolarHBondContact O-N 3.1Å; A52-S54 PolarHBondContact O-N 3.26Å |
| 53 | H | 28.8 | Very low | 27.8 | Very low | 182 Ų | 182 | 109.5 Ų | 109.5 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | | | trans | -70.4 | 94.5 | 164.1 | -92.4 | -74.4 | 0 | 0 | 0 | 105.8 | G51 A55 | G51-H53 VanDerWaalsContact C-N 3.27Å; G51-H53 PolarHBondContact O-N 3.48Å; H53-A55 PolarHBondContact O-N 3.36Å; H53-A55 VanDerWaalsContact O-N 3.16Å |
| 54 | S | 26.8 | Very low | 27.3 | Very low | 92 Ų | 92 | 112.4 Ų | 112.4 | 64% | 0.643 | 66% | 0.664 | S | S | * | * | | | trans | -55.5 | 120.6 | 160.8 | 60.9 | 0 | 0 | 0 | 0 | 106.7 | A52 N56 | A52-S54 PolarHBondContact O-N 3.26Å; S54-N56 PolarHBondContact O-N 3.18Å |
| 55 | A | 26.8 | Very low | 27 | Very low | 77 Ų | 77 | 107.6 Ų | 107.6 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -50.3 | 130.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | H53 | H53-A55 PolarHBondContact O-N 3.36Å; H53-A55 VanDerWaalsContact O-N 3.16Å |
| 56 | N | 25.1 | Very low | 26.8 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | | | trans | 95 | 134.5 | -179.6 | -47.6 | -30.8 | 0 | 0 | 0 | 114.7 | S54 | S54-N56 PolarHBondContact O-N 3.18Š|
| 57 | H | 26.2 | Very low | 26.6 | Very low | 176 Ų | 176 | 116.9 Ų | 116.9 | 82% | 0.815 | 67% | 0.665 | S | S | * | * | | | trans | 89.7 | 85.8 | -175.6 | -59.3 | -83 | 0 | 0 | 0 | 113.8 | | |
| 58 | L | 23.3 | Very low | 26.5 | Very low | 156 Ų | 156 | 119.6 Ų | 119.6 | 82% | 0.817 | 67% | 0.674 | S | S | * | * | | | | 38.9 | 108.1 | 80.2 | -71.9 | 166.9 | 0 | 0 | 0 | 112.1 | | |
| 59 | V | 24.4 | Very low | 26.5 | Very low | 140 Ų | 140 | 122.1 Ų | 122.1 | 85% | 0.848 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 71.6 | 107.2 | 147.8 | -168.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 60 | G | 23.1 | Very low | 26.4 | Very low | 62 Ų | 62 | 125.8 Ų | 125.8 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | | | trans | 99.3 | 120.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 61 | Q | 24.7 | Very low | 26.3 | Very low | 197 Ų | 197 | 130.5 Ų | 130.5 | 92% | 0.921 | 71% | 0.708 | S | S | * | * | | | trans | 60 | 90.9 | 142.7 | -54.2 | -175.3 | -2.8 | 0 | 0 | 116.5 | | |
| 62 | S | 26.3 | Very low | 26.3 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | | | trans | -117.6 | 106.7 | 149.1 | -167.2 | 0 | 0 | 0 | 0 | 109.1 | L64 | S62-L64 PolarHBondContact O-N 3.32Š|
| 63 | P | 25 | Very low | 26.4 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | | | trans | -86.3 | 88.2 | 180 | 33.3 | -28 | 0 | 0 | 0 | 108.6 | | |
| 64 | L | 25.6 | Very low | 26.5 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 55% | 0.55 | 70% | 0.703 | S | S | . | * | | | trans | -132.8 | 89.7 | 177.2 | -89.3 | 156.3 | 0 | 0 | 0 | 111.6 | S62 | S62-L64 PolarHBondContact O-N 3.32Š|
| 65 | T | 29 | Very low | 26.5 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 51% | 0.509 | 70% | 0.699 | S | S | . | * | | | | 70.6 | 101.1 | 128.3 | -36.8 | 0 | 0 | 0 | 0 | 118.4 | Y67 | T65-Y67 HydrophobicContact CG2-CE2 4Å; T65-Y67 PolarHBondContact O-N 3.33Å |
| 66 | R | 26.1 | Very low | 26.7 | Very low | 227 Ų | 227 | 137.8 Ų | 137.8 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | | | trans | -63.2 | 122.7 | 165.9 | -81 | 178 | 176.1 | 170.3 | -0.5 | 110.4 | | |
| 67 | Y | 28.8 | Very low | 26.9 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 47% | 0.467 | 70% | 0.702 | S | S | . | * | | | trans | -99.9 | 114.4 | 160.4 | -71.6 | -93.3 | 0 | 0 | 0 | 108.7 | D47 I49 T65 L69 | D47-Y67 HydrophobicContact CB-CE1 4.39Å; D47-Y67 WeakPolarHBondContact OD2-CD1 3.31Å; D47-Y67 WeakPolarHBondContact OD2-CE1 3.32Å; I49-Y67 HydrophobicContact CD1-CD2 3.76Å; I49-Y67 HydrophobicContact CD1-CE2 3.7Å; I49-Y67 HydrophobicContact CG1-CD2 4.2Å; I49-Y67 HydrophobicContact CG1-CE2 3.67Å; T65-Y67 HydrophobicContact CG2-CE2 4Å; T65-Y67 PolarHBondContact O-N 3.33Å; Y67-L69 PolarHBondContact O-N 3.3Å |
| 68 | H | 26.9 | Very low | 27 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | | | trans | -70.1 | 110.2 | 171.8 | -94.2 | -91.7 | 0 | 0 | 0 | 109.3 | | |
| 69 | L | 28.7 | Very low | 27.4 | Very low | 140 Ų | 140 | 128 Ų | 128 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | | | trans | -89.6 | 106.2 | 166.8 | -89.1 | 153.1 | 0 | 0 | 0 | 108.2 | I12 Y67 | I12-L69 HydrophobicContact CD1-CD2 3.64Å; Y67-L69 PolarHBondContact O-N 3.3Å |
| 70 | D | 28.6 | Very low | 27.6 | Very low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 67% | 0.666 | S | S | * | * | | | trans | -68.6 | 145.1 | -177.2 | -153.5 | -6.7 | 0 | 0 | 0 | 111.8 | T72 | D70-T72 PolarHBondContact O-N 2.85Š|
| 71 | R | 25.7 | Very low | 27.9 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 68% | 0.679 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -70.8 | 106.8 | -172.1 | -77.4 | 171.1 | 163.8 | 168.5 | -4.8 | 110 | | |
| 72 | T | 26.4 | Very low | 27.9 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | | | trans | 170.1 | 126.9 | 135.4 | 29.3 | 0 | 0 | 0 | 0 | 108.5 | D70 | D70-T72 PolarHBondContact O-N 2.85Š|
| 73 | D | 29.1 | Very low | 27.8 | Very low | 82 Ų | 82 | 119.9 Ų | 119.9 | 44% | 0.439 | 63% | 0.628 | S | S | . | * | | | trans | 75.4 | 108.8 | 162.2 | -73.5 | -35 | 0 | 0 | 0 | 120.2 | | |
| 74 | R | 29.1 | Very low | 27.9 | Very low | 195 Ų | 195 | 123.5 Ų | 123.5 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | | | | 88.9 | 116.5 | 119.9 | -64.7 | 168.2 | -159.9 | -166.9 | 6.8 | 119.7 | | |
| 75 | S | 27.3 | Very low | 28 | Very low | 80 Ų | 80 | 123 Ų | 123 | 56% | 0.559 | 63% | 0.63 | S | S | * | * | | | trans | 63.6 | 95.3 | 152.7 | 69.3 | 0 | 0 | 0 | 0 | 118 | V77 | S75-V77 PolarHBondContact O-N 3.37Š|
| 76 | L | 30.5 | Very low | 28 | Very low | 164 Ų | 164 | 128 Ų | 128 | 86% | 0.859 | 65% | 0.65 | S | S | * | * | | | trans | -66 | 114.1 | 151 | -101.4 | 123.6 | 0 | 0 | 0 | 108.6 | | |
| 77 | V | 29.5 | Very low | 28 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | | | trans | -88.1 | 107.5 | 165.6 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | S75 | S75-V77 PolarHBondContact O-N 3.37Š|
| 78 | T | 29.4 | Very low | 28 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | | | trans | -74.4 | 133.7 | 172.5 | 40.7 | 0 | 0 | 0 | 0 | 109.8 | M85 | T78-M85 HydrophobicContact CG2-SD 4.41Š|
| 79 | N | 31.6 | Very low | 28 | Very low | 65 Ų | 65 | 122 Ų | 122 | 35% | 0.348 | 66% | 0.662 | S | S | . | * | | | trans | -110.3 | 120.6 | 174.4 | -171.1 | -15.1 | 0 | 0 | 0 | 109.7 | L27 C81 M85 | L27-N79 VanDerWaalsContact CD1-ND2 3.32Å; L27-N79 WeakPolarHBondContact CD1-ND2 3.33Å; L27-N79 VanDerWaalsContact CD2-ND2 3.31Å; L27-N79 WeakPolarHBondContact CD2-ND2 3.18Å; N79-C81 VanDerWaalsContact C-N 3.35Å; N79-C81 PolarHBondContact O-N 2.93Å; N79-M85 WeakPolarHBondContact O-CE 3.13Å |
| 80 | N | 28 | Very low | 28.1 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | | | trans | -66.3 | 84.9 | 175.1 | -77.1 | -16.5 | 0 | 0 | 0 | 111.6 | | |
| 81 | C | 28.8 | Very low | 28 | Very low | 34 Ų | 34 | 122.8 Ų | 122.8 | 23% | 0.23 | 66% | 0.661 | C | S | . | * | | | trans | -109 | 120.8 | 146.6 | -90.1 | 0 | 0 | 0 | 0 | 107.7 | L27 N79 | L27-C81 HydrophobicContact CD1-CB 4.43Å; L27-C81 WeakPolarHBondContact CD1-SG 3.35Å; N79-C81 VanDerWaalsContact C-N 3.35Å; N79-C81 PolarHBondContact O-N 2.93Å |
| 82 | G | 26.3 | Very low | 28 | Very low | 46 Ų | 46 | 120.1 Ų | 120.1 | 47% | 0.474 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -57.8 | 155 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | W21 | W21-G82 WeakPolarHBondContact CH2-O 3.32Å; W21-G82 WeakPolarHBondContact CZ3-O 3.39Å |
| 83 | S | 24.4 | Very low | 27.9 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 78.5 | 104 | 166.1 | -42.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 84 | E | 27.2 | Very low | 27.8 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 92% | 0.916 | 68% | 0.683 | S | S | * | * | | | trans | 79.9 | 46.9 | 174.5 | -53.2 | -171.5 | 165.6 | 0 | 0 | 117.8 | M86 | E84-M86 PolarHBondContact O-N 3.27Š|
| 85 | M | 27.6 | Very low | 27.6 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 46% | 0.463 | 69% | 0.69 | S | S | . | * | | | trans | -78.9 | 97.7 | 153.1 | -83.7 | -174 | -92.2 | 0 | 0 | 109.4 | T78 N79 A87 | T78-M85 HydrophobicContact CG2-SD 4.41Å; N79-M85 WeakPolarHBondContact O-CE 3.13Å; M85-A87 VanDerWaalsContact C-N 3.28Å; M85-A87 PolarHBondContact O-N 2.94Å |
| 86 | M | 27.6 | Very low | 27.7 | Very low | 189 Ų | 189 | 126.5 Ų | 126.5 | 93% | 0.931 | 69% | 0.694 | S | S | * | * | | | trans | -65 | 97.6 | 156.6 | -80.5 | -161.3 | -151 | 0 | 0 | 107.6 | E84 G88 | E84-M86 PolarHBondContact O-N 3.27Å; M86-G88 PolarHBondContact O-N 3.05Å |
| 87 | A | 27.2 | Very low | 27.4 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | | | trans | -61.1 | 91.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | M85 R89 | M85-A87 VanDerWaalsContact C-N 3.28Å; M85-A87 PolarHBondContact O-N 2.94Å; A87-R89 VanDerWaalsContact C-N 3.34Å; A87-R89 PolarHBondContact O-N 3.18Å |
| 88 | G | 28.1 | Very low | 27.2 | Very low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | | | trans | -64.7 | 94.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | M86 L90 | M86-G88 PolarHBondContact O-N 3.05Å; G88-L90 PolarHBondContact O-N 3.07Å; G88-L90 VanDerWaalsContact O-N 3.11Å |
| 89 | R | 27.9 | Very low | 27 | Very low | 230 Ų | 230 | 128.1 Ų | 128.1 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | | | trans | -64.9 | 108.6 | 164.9 | -161.3 | 177.7 | -165.4 | -178.9 | 3.8 | 105.9 | A87 H91 | A87-R89 VanDerWaalsContact C-N 3.34Å; A87-R89 PolarHBondContact O-N 3.18Å; R89-H91 PolarHBondContact O-N 3.11Å |
| 90 | L | 29 | Very low | 26.8 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 90% | 0.901 | 73% | 0.732 | S | S | * | * | | | trans | -56.2 | 102.3 | 173.5 | -114.4 | 127.7 | 0 | 0 | 0 | 107.7 | G88 S92 | G88-L90 PolarHBondContact O-N 3.07Å; G88-L90 VanDerWaalsContact O-N 3.11Å; L90-S92 PolarHBondContact O-N 3.42Å |
| 91 | H | 26.9 | Very low | 26.9 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 64% | 0.644 | 73% | 0.727 | S | S | * | * | | | trans | -71.3 | 126.3 | -178.2 | -151.9 | -90.9 | 0 | 0 | 0 | 108 | R89 S93 | R89-H91 PolarHBondContact O-N 3.11Å; H91-S93 PolarHBondContact ND1-OG 3.18Å; H91-S93 PolarHBondContact O-N 2.93Å |
| 92 | S | 25.3 | Very low | 26.8 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -73.4 | 31.7 | -167.3 | 55.9 | 0 | 0 | 0 | 0 | 115.1 | L90 | L90-S92 PolarHBondContact O-N 3.42Š|
| 93 | S | 25.8 | Very low | 27 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 55% | 0.545 | 77% | 0.768 | S | S | . | * | | | trans | -123.9 | 26.3 | -166 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | H91 | H91-S93 PolarHBondContact ND1-OG 3.18Å; H91-S93 PolarHBondContact O-N 2.93Å |
| 94 | Y | 27.1 | Very low | 27.1 | Very low | 208 Ų | 208 | 142.2 Ų | 142.2 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | | | trans | -110.1 | 107.1 | 171.4 | -70.9 | -78.6 | 0 | 0 | 0 | 110.6 | I96 | Y94-I96 PolarHBondContact O-N 2.88Š|
| 95 | E | 25 | Very low | 27.2 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -62 | 122.3 | 167.9 | -82.5 | -176.9 | 149.7 | 0 | 0 | 110.1 | K97 | E95-K97 PolarHBondContact O-N 3.16Š|
| 96 | I | 28.3 | Very low | 27.1 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -78.5 | 102.7 | 173.6 | -62.4 | 166.6 | 0 | 0 | 0 | 106.9 | Y94 S98 | Y94-I96 PolarHBondContact O-N 2.88Å; I96-S98 PolarHBondContact O-N 3.3Å; I96-S98 VanDerWaalsContact O-N 3.1Å |
| 97 | K | 25.5 | Very low | 27.2 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | | | trans | -72.5 | 98.7 | 162.5 | -72 | -172 | 178.4 | -177 | 0 | 108.2 | E95 S99 | E95-K97 PolarHBondContact O-N 3.16Å; K97-S99 PolarHBondContact O-N 2.95Å |
| 98 | S | 24.6 | Very low | 27.3 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -76.7 | 110.8 | 161.4 | 64.5 | 0 | 0 | 0 | 0 | 107.5 | I96 | I96-S98 PolarHBondContact O-N 3.3Å; I96-S98 VanDerWaalsContact O-N 3.1Å |
| 99 | S | 26 | Very low | 27.2 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | -136.3 | 122.2 | 166.8 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | K97 A101 | K97-S99 PolarHBondContact O-N 2.95Å; S99-A101 PolarHBondContact O-N 2.88Å |
| 100 | S | 27 | Very low | 27.3 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 95% | 0.951 | 77% | 0.768 | S | S | * | * | | | trans | -58.4 | 37.8 | 175 | 42.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 101 | A | 30.2 | Very low | 27.4 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | | | trans | -106.6 | 65.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S99 N103 | S99-A101 PolarHBondContact O-N 2.88Å; A101-N103 VanDerWaalsContact C-N 3.3Å |
| 102 | L | 26.9 | Very low | 27.6 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -90.8 | 11.5 | 172.1 | -105.6 | 167.4 | 0 | 0 | 0 | 113.2 | | |
| 103 | N | 28.8 | Very low | 28.3 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -126.4 | 93.9 | 173.6 | -75 | -15.8 | 0 | 0 | 0 | 107.7 | A101 | A101-N103 VanDerWaalsContact C-N 3.3Š|
| 104 | E | 26.5 | Very low | 29 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | trans | 159.8 | 70.5 | 161.3 | -89.9 | 159.6 | -152.2 | 0 | 0 | 107.3 | E106 | E104-E106 PolarHBondContact O-N 2.84Š|
| 105 | W | 30 | Very low | 29.3 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 91% | 0.905 | 78% | 0.776 | S | S | * | * | | | trans | -76.8 | 81.5 | 157.1 | -76 | 86.3 | 0 | 0 | 0 | 106.3 | T107 | W105-T107 PolarHBondContact O-N 2.84Š|
| 106 | E | 26.5 | Very low | 29.7 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -69.1 | 123.2 | 172.4 | -145 | 175.8 | -161.5 | 0 | 0 | 108.5 | E104 I108 | E104-E106 PolarHBondContact O-N 2.84Å; E106-I108 PolarHBondContact O-N 3.25Å |
| 107 | T | 27.7 | Very low | 30.1 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 63% | 0.632 | 78% | 0.782 | S | S | * | * | | | trans | -56.2 | 93.7 | -173.9 | -41.7 | 0 | 0 | 0 | 0 | 111.9 | W105 G109 | W105-T107 PolarHBondContact O-N 2.84Å; T107-G109 PolarHBondContact O-N 3.44Å |
| 108 | I | 29.6 | Very low | 30.9 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 94% | 0.938 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -79.9 | 73.5 | 164.2 | -52.1 | 178.6 | 0 | 0 | 0 | 107.5 | E106 | E106-I108 PolarHBondContact O-N 3.25Š|
| 109 | G | 25.8 | Very low | 31.5 | Very low | 57 Ų | 57 | 145.2 Ų | 145.2 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | | | trans | -177.3 | 49.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T107 | T107-G109 PolarHBondContact O-N 3.44Š|
| 110 | Q | 31.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -145.8 | 101.8 | 165 | -105.4 | 166.1 | -6.1 | 0 | 0 | 108.5 | D112 | Q110-D112 PolarHBondContact O-N 2.97Š|
| 111 | K | 31.2 | Very low | 32 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -67.2 | 105.1 | 152.4 | -97.8 | 178.1 | 167.9 | 179.7 | 0 | 104.7 | | |
| 112 | D | 30 | Very low | 32.1 | Very low | 131 Ų | 131 | 154.1 Ų | 154.1 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -160.2 | 103.7 | 156.7 | -77.8 | -42.4 | 0 | 0 | 0 | 104.8 | Q110 | Q110-D112 PolarHBondContact O-N 2.97Š|
| 113 | D | 41.5 | Very low | 32.4 | Very low | 161 Ų | 161 | 158.8 Ų | 158.8 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -164.5 | 108.8 | 142.7 | -97.5 | -24.9 | 0 | 0 | 0 | 109.1 | | |
| 114 | S | 39.4 | Very low | 32.4 | Very low | 109 Ų | 109 | 156.7 Ų | 156.7 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -19.2 | 136.1 | 155.2 | 44.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 115 | G | 34.6 | Very low | 33 | Very low | 72 Ų | 72 | 154.3 Ų | 154.3 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | | 77.9 | 99.5 | 121.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 116 | D | 33.3 | Very low | 33 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | 84 | 129.6 | 130.4 | -108.8 | -20.9 | 0 | 0 | 0 | 121.8 | | |
| 117 | E | 36.6 | Very low | 33.6 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 78.3 | 130.3 | 151.1 | -55.3 | -155.3 | 132.3 | 0 | 0 | 122.8 | | |
| 118 | S | 40.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | 105.3 | 104.4 | 145.6 | 76.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 119 | R | 37.2 | Very low | 33.6 | Very low | 235 Ų | 235 | 154.4 Ų | 154.4 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -44.3 | 135.9 | 155.8 | -75.9 | 166.8 | 167.1 | 163.6 | -3.8 | 113.3 | | |
| 120 | N | 32.4 | Very low | 34 | Very low | 135 Ų | 135 | 156.6 Ų | 156.6 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | | 153.2 | 150.1 | 106.4 | -103.8 | -0.9 | 0 | 0 | 0 | 114.3 | | |
| 121 | D | 32.5 | Very low | 33.9 | Very low | 127 Ų | 127 | 161.3 Ų | 161.3 | 68% | 0.679 | 82% | 0.816 | S | S | * | * | | | trans | 80.5 | 98.1 | 147 | -66.5 | -36 | 0 | 0 | 0 | 122.7 | | |
| 122 | R | 31.2 | Very low | 33.9 | Very low | 234 Ų | 234 | 154.6 Ų | 154.6 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | | 32.1 | 111.9 | 123.8 | -73 | 178.3 | 165.8 | 176.3 | -2.4 | 117.4 | | |
| 123 | R | 33.1 | Very low | 34.1 | Very low | 247 Ų | 247 | 156.6 Ų | 156.6 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | | | trans | -147.9 | 105.5 | 138.1 | -111.8 | 171.1 | -170.5 | -169.6 | 2.8 | 112.6 | | |
| 124 | S | 29.7 | Very low | 33.9 | Very low | 102 Ų | 102 | 157.2 Ų | 157.2 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | | | trans | -57.8 | 129.6 | 160.8 | 150.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 125 | V | 38.6 | Very low | 33.5 | Very low | 129 Ų | 129 | 154.7 Ų | 154.7 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | | | trans | -124 | 102.2 | 158.8 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 126 | T | 30.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 161.1 Ų | 161.1 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | | | trans | -71.8 | 131.6 | 170.7 | 42.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 127 | N | 37.8 | Very low | 33.6 | Very low | 163 Ų | 163 | 162.1 Ų | 162.1 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | -121.7 | 93.7 | 156.3 | -87 | -28.2 | 0 | 0 | 0 | 109 | | |
| 128 | Q | 29 | Very low | 33.7 | Very low | 185 Ų | 185 | 159.3 Ų | 159.3 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | -62.1 | 150.8 | 162.8 | -71.2 | 176.1 | -15.5 | 0 | 0 | 109.9 | | |
| 129 | R | 28.8 | Very low | 33.6 | Very low | 242 Ų | 242 | 163 Ų | 163 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | 120.3 | 89.9 | 146.3 | -155.5 | 176.1 | -162.5 | 177.9 | 3.8 | 116 | | |
| 130 | A | 34.4 | Very low | 33.5 | Very low | 104 Ų | 104 | 159.7 Ų | 159.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -152.5 | 79.8 | 135.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | G132 | A130-G132 PolarHBondContact O-N 3.45Š|
| 131 | R | 29.9 | Very low | 33.8 | Very low | 255 Ų | 255 | 158.6 Ų | 158.6 | 96% | 0.962 | 82% | 0.817 | S | S | * | * | | | trans | -72.8 | 114.3 | 164.1 | -86.1 | 175.8 | 135.7 | -174.8 | -4.7 | 107.4 | | |
| 132 | G | 30.6 | Very low | 34 | Very low | 66 Ų | 66 | 159.6 Ų | 159.6 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | | | trans | -159.4 | 86.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | A130 L134 | A130-G132 PolarHBondContact O-N 3.45Å; G132-L134 PolarHBondContact O-N 3.36Å; G132-L134 VanDerWaalsContact O-N 3.15Å |
| 133 | I | 34.6 | Very low | 34.2 | Very low | 172 Ų | 172 | 160.8 Ų | 160.8 | 88% | 0.882 | 84% | 0.843 | S | S | * | * | | | trans | -69.6 | 101.6 | 178.2 | -64.8 | 160.5 | 0 | 0 | 0 | 107.7 | | |
| 134 | L | 36.6 | Very low | 34.2 | Very low | 175 Ų | 175 | 156.5 Ų | 156.5 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | | | trans | -106.2 | 66.2 | 165.1 | -112.7 | 137 | 0 | 0 | 0 | 107.7 | G132 | G132-L134 PolarHBondContact O-N 3.36Å; G132-L134 VanDerWaalsContact O-N 3.15Å |
| 135 | G | 30.1 | Very low | 34.5 | Very low | 55 Ų | 55 | 159.3 Ų | 159.3 | 57% | 0.567 | 85% | 0.845 | S | S | * | * | | | trans | -110.7 | 133.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 136 | K | 35 | Very low | 34.2 | Very low | 207 Ų | 207 | 161 Ų | 161 | 90% | 0.9 | 85% | 0.849 | S | S | * | * | | | trans | 88.7 | 88.3 | 176.9 | -54.5 | -176.6 | -179.6 | -175.9 | 0 | 116 | | |
| 137 | H | 35.1 | Very low | 34.4 | Very low | 176 Ų | 176 | 164.2 Ų | 164.2 | 82% | 0.815 | 86% | 0.86 | S | S | * | * | | | trans | -85.1 | 126.8 | 150.6 | -100.1 | -89.5 | 0 | 0 | 0 | 109 | | |
| 138 | P | 39.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 164.3 Ų | 164.3 | 72% | 0.721 | 86% | 0.86 | S | S | * | * | | | trans | -67.7 | 136.4 | 173.3 | 25.7 | -30.2 | 0 | 0 | 0 | 110.8 | L140 | P138-L140 PolarHBondContact O-N 3.25Š|
| 139 | Q | 38.5 | Very low | 34.6 | Very low | 196 Ų | 196 | 162.9 Ų | 162.9 | 92% | 0.916 | 86% | 0.859 | S | S | * | * | | | trans | -66.3 | 112.6 | 173.6 | -72.1 | 179 | -19 | 0 | 0 | 109.4 | S141 | Q139-S141 PolarHBondContact O-N 3.15Š|
| 140 | L | 35 | Very low | 35 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 87% | 0.874 | 86% | 0.856 | S | S | * | * | | | trans | -80.9 | 101.3 | 164.4 | -74.8 | 166.5 | 0 | 0 | 0 | 108.1 | P138 | P138-L140 PolarHBondContact O-N 3.25Š|
| 141 | S | 38.2 | Very low | 35 | Very low | 112 Ų | 112 | 161.4 Ų | 161.4 | 78% | 0.783 | 86% | 0.855 | S | S | * | * | | | trans | -76.3 | 120.9 | 161.9 | 54.4 | 0 | 0 | 0 | 0 | 108.7 | Q139 | Q139-S141 PolarHBondContact O-N 3.15Š|
| 142 | V | 37.3 | Very low | 35.5 | Very low | 147 Ų | 147 | 153.6 Ų | 153.6 | 89% | 0.891 | 85% | 0.846 | S | S | * | * | | | trans | -88.4 | 114.8 | 168.7 | -172 | 0 | 0 | 0 | 0 | 106.8 | | |
| 143 | Q | 34.8 | Very low | 35.9 | Very low | 259 Ų | 259 | 161.5 Ų | 161.5 | 100% | 1.21 | 86% | 0.861 | S | S | * | * | | | trans | -122.8 | 0 | 165.5 | -145.2 | -179 | 3.1 | 0 | 0 | 108 | | |