| 1 | M | 69.1 | Low | 91.9 | Very high | 241 Ų | 241 | 146.8 Ų | 146.8 | 100% | 1.187 | 70% | 0.698 | S | S | * | * | | | | 0 | 153 | 0 | -166.9 | 53 | 80 | 0 | 0 | 109 | | |
| 2 | G | 87.3 | Confident | 92.3 | Very high | 54 Ų | 54 | 145.6 Ų | 145.6 | 56% | 0.557 | 71% | 0.707 | S | S | * | * | | | trans | -73.1 | 165.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K4 | G2-K4 VanDerWaalsContact C-N 3.25Å; G2-K4 PolarHBondContact O-N 2.61Å |
| 3 | R | 94.3 | Very high | 92.6 | Very high | 261 Ų | 261 | 139.8 Ų | 139.8 | 99% | 0.985 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -65.2 | -24.8 | 179.2 | -69.1 | -176 | -179 | 170.5 | -0.3 | 113.9 | | |
| 4 | K | 95.2 | Very high | 92.8 | Very high | 181 Ų | 181 | 136.8 Ų | 136.8 | 79% | 0.787 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -145.1 | 149.9 | 173.3 | -63.3 | -172.4 | 178.3 | -175 | 0 | 108.3 | G2 | G2-K4 VanDerWaalsContact C-N 3.25Å; G2-K4 PolarHBondContact O-N 2.61Å |
| 5 | K | 94.6 | Very high | 93 | Very high | 193 Ų | 193 | 141.3 Ų | 141.3 | 84% | 0.839 | 67% | 0.672 | S | S | * | * | | | trans | -66.6 | 140.9 | 163.6 | -172.5 | 179 | -179.9 | -176.5 | 0 | 107.5 | | |
| 6 | I | 94.3 | Very high | 93.2 | Very high | 90 Ų | 90 | 138.3 Ų | 138.3 | 46% | 0.462 | 66% | 0.662 | S | S | . | * | | | trans | -120 | 151.9 | 171.7 | 66.9 | 168.3 | 0 | 0 | 0 | 109.5 | | |
| 7 | L | 94.8 | Very high | 93.4 | Very high | 131 Ų | 131 | 134 Ų | 134 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | | | trans | -72.6 | 149.1 | 171.1 | -59.6 | 175.9 | 0 | 0 | 0 | 109.8 | K9 | L7-K9 HydrophobicContact CB-CG 4.4Å; L7-K9 PolarHBondContact O-N 2.9Å |
| 8 | I | 94.6 | Very high | 93.6 | Very high | 147 Ų | 147 | 132.1 Ų | 132.1 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -83.9 | 93 | 172.1 | -54.3 | -55 | 0 | 0 | 0 | 107.7 | | |
| 9 | K | 94.9 | Very high | 93.7 | Very high | 158 Ų | 158 | 128.6 Ų | 128.6 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -154.4 | 166.2 | 173.3 | 65.8 | 178.2 | -173.5 | 174.1 | 0 | 110.5 | L7 I11 | L7-K9 HydrophobicContact CB-CG 4.4Å; L7-K9 PolarHBondContact O-N 2.9Å; K9-I11 PolarHBondContact O-N 3.04Å |
| 10 | K | 95.4 | Very high | 93.9 | Very high | 110 Ų | 110 | 123.9 Ų | 123.9 | 48% | 0.478 | 60% | 0.596 | S | S | . | * | | | trans | -52.8 | 121.7 | 176.1 | -164.7 | 164.7 | -176.6 | 171.2 | 0 | 109.9 | T12 V625 | K10-T12 PolarHBondContact O-N 3.45Å; K10-V625 PolarHBondContact NZ-O 3.47Å |
| 11 | I | 96.5 | Very high | 94 | Very high | 49 Ų | 49 | 120.1 Ų | 120.1 | 25% | 0.251 | 58% | 0.577 | S | S | . | * | | | trans | -73.9 | 122.8 | 176.4 | -61.8 | 173.1 | 0 | 0 | 0 | 107.2 | K9 N16 R17 T20 | K9-I11 PolarHBondContact O-N 3.04Å; I11-N16 HydrophobicContact CG2-CB 4.23Å; I11-R17 HydrophobicContact CB-CB 4.1Å; I11-R17 HydrophobicContact CG2-CB 4.07Å; I11-R17 PolarHBondContact O-NH1 2.9Å; I11-T20 HydrophobicContact CD1-CG2 3.77Å |
| 12 | T | 96.5 | Very high | 95.3 | Very high | 132 Ų | 132 | 111.6 Ų | 111.6 | 81% | 0.81 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -71.8 | -51.4 | -173.8 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | K10 E14 R17 | K10-T12 PolarHBondContact O-N 3.45Å; T12-E14 PolarHBondContact O-N 3.2Å; T12-R17 PolarHBondContact O-NH1 2.79Å |
| 13 | D | 95.9 | Very high | 95.8 | Very high | 71 Ų | 71 | 116 Ų | 116 | 38% | 0.38 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -67.8 | 119.1 | 176.9 | 166.7 | 21.8 | 0 | 0 | 0 | 111.7 | R15 N16 R17 | D13-R15 VanDerWaalsContact C-N 3.34Å; D13-R15 PolarHBondContact O-N 3.47Å; D13-R15 PolarHBondContact OD1-N 2.74Å; D13-N16 HydrophobicContact CB-CB 4.4Å; D13-N16 PolarHBondContact O-N 2.99Å; D13-N16 WeakPolarHBondContact OD2-CB 3.2Å; D13-N16 PolarHBondContact OD2-N 2.84Å; D13-N16 PolarHBondContact OD2-ND2 3.01Å; D13-R17 VanDerWaalsContact O-CB 3.27Å; D13-R17 WeakPolarHBondContact O-CB 3.17Å; D13-R17 PolarHBondContact O-N 2.98Å |
| 14 | E | 95.8 | Very high | 95.9 | Very high | 97 Ų | 97 | 110 Ų | 110 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -40.7 | 178.9 | -174.6 | 64.2 | -79.3 | 0 | 0 | 113 | T12 N16 R17 Q18 | T12-E14 PolarHBondContact O-N 3.2Å; E14-N16 PolarHBondContact O-N 3.36Å; E14-R17 WeakPolarHBondContact O-CB 3.43Å; E14-R17 PolarHBondContact O-N 3.17Å; E14-R17 IonicContact OE1-CZ 3.67Å; E14-R17 IonicContact OE1-NE 3.54Å; E14-R17 PolarHBondContact OE1-NE 3.48Å; E14-R17 IonicContact OE1-NH2 2.98Å; E14-R17 PolarHBondContact OE1-NH2 2.8Å; E14-R17 IonicContact OE2-CZ 3.13Å; E14-R17 IonicContact OE2-NE 2.74Å; E14-R17 IonicContact OE2-NH2 2.78Å; E14-R17 PolarHBondContact OE2-NH2 3.26Å; E14-Q18 PolarHBondContact O-N 3.46Å |
| 15 | R | 96.5 | Very high | 96 | Very high | 204 Ų | 204 | 102.9 Ų | 102.9 | 77% | 0.77 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -43.4 | -176.4 | -172.5 | -179.2 | -67 | 171.7 | 0 | 110.7 | D13 V19 | D13-R15 VanDerWaalsContact C-N 3.34Å; D13-R15 PolarHBondContact O-N 3.47Å; D13-R15 PolarHBondContact OD1-N 2.74Å; R15-V19 WeakPolarHBondContact O-CB 3.19Å; R15-V19 VanDerWaalsContact O-CG2 3.28Å; R15-V19 WeakPolarHBondContact O-CG2 3.45Å; R15-V19 PolarHBondContact O-N 3.24Å |
| 16 | N | 96.3 | Very high | 96.1 | Very high | 94 Ų | 94 | 97.9 Ų | 97.9 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.2 | -32.1 | 173.7 | -84 | -59 | 0 | 0 | 0 | 112.6 | I11 D13 E14 T20 | I11-N16 HydrophobicContact CG2-CB 4.23Å; D13-N16 HydrophobicContact CB-CB 4.4Å; D13-N16 PolarHBondContact O-N 2.99Å; D13-N16 WeakPolarHBondContact OD2-CB 3.2Å; D13-N16 PolarHBondContact OD2-N 2.84Å; D13-N16 PolarHBondContact OD2-ND2 3.01Å; E14-N16 PolarHBondContact O-N 3.36Å; N16-T20 WeakPolarHBondContact O-CB 3.1Å; N16-T20 PolarHBondContact O-N 3.45Å; N16-T20 PolarHBondContact O-OG1 3Å |
| 17 | R | 96.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 95.5 Ų | 95.5 | 25% | 0.245 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -61.5 | -55.6 | 173.4 | 176.3 | 166.2 | 59.3 | -129.3 | 13.7 | 111 | I11 T12 D13 E14 V19 T20 F21 | I11-R17 HydrophobicContact CB-CB 4.1Å; I11-R17 HydrophobicContact CG2-CB 4.07Å; I11-R17 PolarHBondContact O-NH1 2.9Å; T12-R17 PolarHBondContact O-NH1 2.79Å; D13-R17 VanDerWaalsContact O-CB 3.27Å; D13-R17 WeakPolarHBondContact O-CB 3.17Å; D13-R17 PolarHBondContact O-N 2.98Å; E14-R17 WeakPolarHBondContact O-CB 3.43Å; E14-R17 PolarHBondContact O-N 3.17Å; E14-R17 IonicContact OE1-CZ 3.67Å; E14-R17 IonicContact OE1-NE 3.54Å; E14-R17 PolarHBondContact OE1-NE 3.48Å; E14-R17 IonicContact OE1-NH2 2.98Å; E14-R17 PolarHBondContact OE1-NH2 2.8Å; E14-R17 IonicContact OE2-CZ 3.13Å; E14-R17 IonicContact OE2-NE 2.74Å; E14-R17 IonicContact OE2-NH2 2.78Å; E14-R17 PolarHBondContact OE2-NH2 3.26Å; R17-V19 PolarHBondContact O-N 3.04Å; R17-T20 CarbonylContact O-C 3.57Å; R17-T20 PolarHBondContact O-N 3.43Å; R17-T20 VanDerWaalsContact O-N 3.14Å; R17-F21 WeakPolarHBondContact O-CB 3.39Å; R17-F21 PolarHBondContact O-N 3.28Å |
| 18 | Q | 95.8 | Very high | 96.4 | Very high | 99 Ų | 99 | 92.1 Ų | 92.1 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | -179.2 | -176.2 | 63.4 | -7.6 | 0 | 0 | 112.4 | E14 T20 F21 T22 | E14-Q18 PolarHBondContact O-N 3.46Å; Q18-T20 PolarHBondContact O-N 2.69Å; Q18-F21 PolarHBondContact O-N 2.86Å; Q18-F21 VanDerWaalsContact O-N 3.16Å; Q18-T22 PolarHBondContact O-N 3.13Å; Q18-T22 PolarHBondContact O-OG1 3.4Å; Q18-T22 VanDerWaalsContact O-OG1 3.1Å |
| 19 | V | 96.7 | Very high | 96.5 | Very high | 67 Ų | 67 | 85.2 Ų | 85.2 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.3 | -32.6 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 112 | R15 R17 K23 | R15-V19 WeakPolarHBondContact O-CB 3.19Å; R15-V19 VanDerWaalsContact O-CG2 3.28Å; R15-V19 WeakPolarHBondContact O-CG2 3.45Å; R15-V19 PolarHBondContact O-N 3.24Å; R17-V19 PolarHBondContact O-N 3.04Å; V19-K23 HydrophobicContact CG1-CD 4.16Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CD 3.48Å; V19-K23 WeakPolarHBondContact O-CG 3.44Å; V19-K23 PolarHBondContact O-N 2.95Å |
| 20 | T | 96.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 83.6 Ų | 83.6 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -74.6 | -40.7 | 174.6 | -60 | 0 | 0 | 0 | 0 | 111.5 | I11 N16 R17 Q18 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.77Å; N16-T20 WeakPolarHBondContact O-CB 3.1Å; N16-T20 PolarHBondContact O-N 3.45Å; N16-T20 PolarHBondContact O-OG1 3Å; R17-T20 CarbonylContact O-C 3.57Å; R17-T20 PolarHBondContact O-N 3.43Å; R17-T20 VanDerWaalsContact O-N 3.14Å; Q18-T20 PolarHBondContact O-N 2.69Å; T20-K23 PolarHBondContact O-N 3.04Å; T20-R24 HydrophobicContact CG2-CG 4.07Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.25Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 2.89Å |
| 21 | F | 97 | Very high | 96.8 | Very high | 45 Ų | 45 | 84 Ų | 84 | 20% | 0.197 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59 | -56 | 176.4 | 175.5 | -103.7 | 0 | 0 | 0 | 111 | R17 Q18 K23 R24 K25 V47 T49 F55 | R17-F21 WeakPolarHBondContact O-CB 3.39Å; R17-F21 PolarHBondContact O-N 3.28Å; Q18-F21 PolarHBondContact O-N 2.86Å; Q18-F21 VanDerWaalsContact O-N 3.16Å; F21-K23 VanDerWaalsContact C-N 3.28Å; F21-K23 PolarHBondContact O-N 2.83Å; F21-R24 PolarHBondContact O-N 3.48Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-K25 HydrophobicContact CE1-CD 3.97Å; F21-K25 HydrophobicContact CZ-CD 3.84Å; F21-K25 VanDerWaalsContact O-CB 3.26Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 PolarHBondContact O-N 3.27Å; F21-V47 HydrophobicContact CE2-CG1 3.8Å; F21-V47 HydrophobicContact CZ-CG1 4.08Å; F21-T49 HydrophobicContact CD1-CG2 4.45Å; F21-T49 HydrophobicContact CE1-CG2 3.68Å; F21-T49 HydrophobicContact CE2-CG2 3.88Å; F21-T49 HydrophobicContact CZ-CG2 3.34Å; F21-F55 HydrophobicContact CE1-CD2 4.02Å; F21-F55 AromaticContact CE1-CE2 3.68Å; F21-F55 HydrophobicContact CE1-CE2 3.68Å; F21-F55 HydrophobicContact CE1-CZ 4.12Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.86Å; F21-F55 HydrophobicContact CZ-CE2 3.86Å |
| 22 | T | 96.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 81.7 Ų | 81.7 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -54 | -44.6 | 179.2 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | Q18 L26 | Q18-T22 PolarHBondContact O-N 3.13Å; Q18-T22 PolarHBondContact O-OG1 3.4Å; Q18-T22 VanDerWaalsContact O-OG1 3.1Å; T22-L26 HydrophobicContact CG2-CD1 4.45Å; T22-L26 WeakPolarHBondContact O-CG 3.16Å; T22-L26 PolarHBondContact O-N 3.14Å |
| 23 | K | 96.6 | Very high | 96.9 | Very high | 147 Ų | 147 | 79.9 Ų | 79.9 | 64% | 0.639 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -72 | -36.9 | -179.2 | -70.7 | 174 | -177.6 | 171.3 | 0 | 113.2 | V19 T20 F21 G27 | V19-K23 HydrophobicContact CG1-CD 4.16Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CD 3.48Å; V19-K23 WeakPolarHBondContact O-CG 3.44Å; V19-K23 PolarHBondContact O-N 2.95Å; T20-K23 PolarHBondContact O-N 3.04Å; F21-K23 VanDerWaalsContact C-N 3.28Å; F21-K23 PolarHBondContact O-N 2.83Å; K23-G27 PolarHBondContact O-N 3.12Å; K23-G27 VanDerWaalsContact O-N 3.09Å |
| 24 | R | 97.4 | Very high | 97 | Very high | 136 Ų | 136 | 79.4 Ų | 79.4 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -75.1 | -38.3 | 176.9 | -75 | -173.6 | 176 | -163.2 | -5.6 | 112.3 | T20 F21 G27 L28 | T20-R24 HydrophobicContact CG2-CG 4.07Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.25Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 2.89Å; F21-R24 PolarHBondContact O-N 3.48Å; F21-R24 VanDerWaalsContact O-N 3.15Å; R24-G27 CarbonylContact O-C 3.55Å; R24-G27 PolarHBondContact O-N 2.88Å; R24-L28 WeakPolarHBondContact O-CB 3.46Å; R24-L28 PolarHBondContact O-N 3.05Å |
| 25 | K | 97.1 | Very high | 97.1 | Very high | 31 Ų | 31 | 78.2 Ų | 78.2 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.5 | -53.4 | 173.6 | -176.3 | 175.1 | 84.6 | 84.5 | 0 | 110.8 | F21 G27 L28 M29 F55 | F21-K25 HydrophobicContact CE1-CD 3.97Å; F21-K25 HydrophobicContact CZ-CD 3.84Å; F21-K25 VanDerWaalsContact O-CB 3.26Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 PolarHBondContact O-N 3.27Å; K25-G27 PolarHBondContact O-N 3.22Å; K25-L28 PolarHBondContact O-N 3.42Å; K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CD-SD 4.45Å; K25-M29 HydrophobicContact CG-CE 3.84Å; K25-M29 HydrophobicContact CG-SD 3.75Å; K25-M29 WeakPolarHBondContact O-CB 3.49Å; K25-M29 VanDerWaalsContact O-CG 3.3Å; K25-M29 WeakPolarHBondContact O-CG 3.38Å; K25-M29 PolarHBondContact O-N 3.46Å; K25-F55 HydrophobicContact CD-CB 3.78Å; K25-F55 HydrophobicContact CD-CD1 3.84Å; K25-F55 HydrophobicContact CD-CD2 4.24Å; K25-F55 HydrophobicContact CD-CE1 4.45Å; K25-F55 HydrophobicContact CD-CG 3.69Å; K25-F55 VanDerWaalsContact CE-CD1 3.49Å; K25-F55 VanDerWaalsContact NZ-CD1 3.32Å |
| 26 | L | 97 | Very high | 97.2 | Very high | 87 Ų | 87 | 68.9 Ų | 68.9 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.1 | -67.9 | 171.5 | 0 | 0 | 0 | 112.3 | T22 L28 K30 | T22-L26 HydrophobicContact CG2-CD1 4.45Å; T22-L26 WeakPolarHBondContact O-CG 3.16Å; T22-L26 PolarHBondContact O-N 3.14Å; L26-L28 VanDerWaalsContact C-N 3.35Å; L26-L28 PolarHBondContact O-N 2.74Å; L26-K30 WeakPolarHBondContact O-CB 3.26Å; L26-K30 PolarHBondContact O-N 2.99Å |
| 27 | G | 97.5 | Very high | 97.2 | Very high | 41 Ų | 41 | 70 Ų | 70 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K23 R24 K25 K31 | K23-G27 PolarHBondContact O-N 3.12Å; K23-G27 VanDerWaalsContact O-N 3.09Å; R24-G27 CarbonylContact O-C 3.55Å; R24-G27 PolarHBondContact O-N 2.88Å; K25-G27 PolarHBondContact O-N 3.22Å; G27-K31 WeakPolarHBondContact O-CG 3.3Å; G27-K31 PolarHBondContact O-N 2.98Å |
| 28 | L | 98 | Very high | 97.3 | Very high | 59 Ų | 59 | 73.7 Ų | 73.7 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -75.2 | -46.6 | 178 | -179.2 | 63.7 | 0 | 0 | 0 | 111.6 | R24 K25 L26 K30 K31 A32 L45 L630 | R24-L28 WeakPolarHBondContact O-CB 3.46Å; R24-L28 PolarHBondContact O-N 3.05Å; K25-L28 PolarHBondContact O-N 3.42Å; L26-L28 VanDerWaalsContact C-N 3.35Å; L26-L28 PolarHBondContact O-N 2.74Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.13Å; L28-K31 CarbonylContact O-C 3.57Å; L28-K31 WeakPolarHBondContact O-CA 3.42Å; L28-K31 WeakPolarHBondContact O-CB 3.44Å; L28-K31 PolarHBondContact O-N 3.11Å; L28-A32 PolarHBondContact O-N 3.02Å; L28-L45 HydrophobicContact CD2-CD1 4.06Å; L28-L45 HydrophobicContact CD2-CD2 3.92Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; L28-L630 HydrophobicContact CD2-CD1 3.75Å |
| 29 | M | 97.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 175.5 | -71.6 | 170.3 | 162.8 | 0 | 0 | 111.3 | K25 K31 A32 Y33 L45 F55 Q56 Y57 Y199 | K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CD-SD 4.45Å; K25-M29 HydrophobicContact CG-CE 3.84Å; K25-M29 HydrophobicContact CG-SD 3.75Å; K25-M29 WeakPolarHBondContact O-CB 3.49Å; K25-M29 VanDerWaalsContact O-CG 3.3Å; K25-M29 WeakPolarHBondContact O-CG 3.38Å; K25-M29 PolarHBondContact O-N 3.46Å; M29-K31 VanDerWaalsContact C-N 3.27Å; M29-K31 PolarHBondContact O-N 3.42Å; M29-A32 PolarHBondContact O-N 3.41Å; M29-Y33 PolarHBondContact O-N 3.27Å; M29-L45 HydrophobicContact CG-CD2 4.16Å; M29-F55 HydrophobicContact CE-CB 4.33Å; M29-Q56 WeakPolarHBondContact CE-O 3.47Å; M29-Y57 HydrophobicContact CG-CG 4.44Å; M29-Y199 HydrophobicContact CB-CE1 4.48Å; M29-Y199 HydrophobicContact SD-CD1 4.28Å; M29-Y199 HydrophobicContact SD-CE1 3.92Å |
| 30 | K | 97.9 | Very high | 97.4 | Very high | 124 Ų | 124 | 75.7 Ų | 75.7 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -35.1 | 171.8 | 175 | 160.9 | 176.4 | 150.2 | 0 | 112.5 | L26 L28 E34 | L26-K30 WeakPolarHBondContact O-CB 3.26Å; L26-K30 PolarHBondContact O-N 2.99Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.13Å; K30-E34 WeakPolarHBondContact CE-OE1 3.44Å; K30-E34 HydrophobicContact CG-CG 4.36Å; K30-E34 IonicContact NZ-OE1 3.88Å; K30-E34 WeakPolarHBondContact O-CB 3.33Å; K30-E34 VanDerWaalsContact O-CG 3.26Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 3.22Å |
| 31 | K | 98.1 | Very high | 97.3 | Very high | 119 Ų | 119 | 74.6 Ų | 74.6 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -74.8 | -35.2 | 176.8 | -72.5 | -147.3 | 152.4 | -63.7 | 0 | 113.8 | G27 L28 M29 Y33 E34 L35 | G27-K31 WeakPolarHBondContact O-CG 3.3Å; G27-K31 PolarHBondContact O-N 2.98Å; L28-K31 CarbonylContact O-C 3.57Å; L28-K31 WeakPolarHBondContact O-CA 3.42Å; L28-K31 WeakPolarHBondContact O-CB 3.44Å; L28-K31 PolarHBondContact O-N 3.11Å; M29-K31 VanDerWaalsContact C-N 3.27Å; M29-K31 PolarHBondContact O-N 3.42Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; K31-E34 IonicContact NZ-OE2 3.59Å; K31-E34 PolarHBondContact NZ-OE2 3.14Å; K31-E34 PolarHBondContact O-N 3.42Å; K31-L35 WeakPolarHBondContact O-CB 3.45Å; K31-L35 VanDerWaalsContact O-CG 3.25Å; K31-L35 WeakPolarHBondContact O-CG 3.46Å; K31-L35 PolarHBondContact O-N 3.23Å |
| 32 | A | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 3.02Å; M29-A32 PolarHBondContact O-N 3.41Å; A32-L35 PolarHBondContact O-N 3.33Å; A32-S36 PolarHBondContact O-N 3.42Å; A32-S36 PolarHBondContact O-OG 3.27Å; A32-I43 HydrophobicContact CB-CG2 4.23Å; A32-I43 WeakPolarHBondContact O-CD1 3.35Å; A32-Y57 HydrophobicContact CB-CD1 3.69Å; A32-Y57 HydrophobicContact CB-CE1 3.46Å; A32-Y57 VanDerWaalsContact CB-CE1 3.46Å |
| 33 | Y | 97.3 | Very high | 97.3 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 37% | 0.365 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 173.6 | 177.4 | -96 | 0 | 0 | 0 | 113.6 | M29 K31 L35 S36 I37 Y57 L197 | M29-Y33 PolarHBondContact O-N 3.27Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-L35 VanDerWaalsContact C-N 3.26Å; Y33-L35 PolarHBondContact O-N 3.1Å; Y33-S36 PolarHBondContact O-N 3.17Å; Y33-S36 PolarHBondContact O-OG 3.41Å; Y33-S36 VanDerWaalsContact O-OG 3.14Å; Y33-I37 HydrophobicContact CD2-CG1 4.26Å; Y33-I37 HydrophobicContact CE1-CG1 4.31Å; Y33-I37 HydrophobicContact CE2-CD1 4.26Å; Y33-I37 HydrophobicContact CE2-CG1 3.9Å; Y33-I37 WeakPolarHBondContact O-CG1 3.11Å; Y33-I37 PolarHBondContact O-N 3.09Å; Y33-I37 VanDerWaalsContact O-N 3.17Å; Y33-Y57 VanDerWaalsContact CA-OH 3.26Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.37Å; Y33-Y57 WeakPolarHBondContact CB-OH 3.42Å; Y33-L197 HydrophobicContact CD2-CD2 4.48Å; Y33-L197 HydrophobicContact CE2-CD2 4.42Å |
| 34 | E | 98 | Very high | 97.3 | Very high | 62 Ų | 62 | 64.8 Ų | 64.8 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.8 | -41.8 | 174.2 | -76.6 | 168.4 | 178.3 | 0 | 0 | 111.2 | K30 K31 L38 | K30-E34 WeakPolarHBondContact CE-OE1 3.44Å; K30-E34 HydrophobicContact CG-CG 4.36Å; K30-E34 IonicContact NZ-OE1 3.88Å; K30-E34 WeakPolarHBondContact O-CB 3.33Å; K30-E34 VanDerWaalsContact O-CG 3.26Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 3.22Å; K31-E34 IonicContact NZ-OE2 3.59Å; K31-E34 PolarHBondContact NZ-OE2 3.14Å; K31-E34 PolarHBondContact O-N 3.42Å; E34-L38 WeakPolarHBondContact O-CB 3.22Å; E34-L38 WeakPolarHBondContact O-CD1 3.37Å; E34-L38 WeakPolarHBondContact O-CG 3.44Å; E34-L38 PolarHBondContact O-N 3.24Å; E34-L38 VanDerWaalsContact O-N 3.1Å |
| 35 | L | 98 | Very high | 97.3 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 37% | 0.372 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -73.1 | -42.9 | -179.9 | -72.4 | 168.9 | 0 | 0 | 0 | 113.4 | K31 A32 Y33 I37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.45Å; K31-L35 VanDerWaalsContact O-CG 3.25Å; K31-L35 WeakPolarHBondContact O-CG 3.46Å; K31-L35 PolarHBondContact O-N 3.23Å; A32-L35 PolarHBondContact O-N 3.33Å; Y33-L35 VanDerWaalsContact C-N 3.26Å; Y33-L35 PolarHBondContact O-N 3.1Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 2.88Å; L35-L38 PolarHBondContact O-N 3.26Å; L35-C39 WeakPolarHBondContact O-CB 2.85Å; L35-C39 PolarHBondContact O-N 2.88Å; L35-C39 VanDerWaalsContact O-N 3.11Å; L35-I43 HydrophobicContact CB-CD1 3.88Å |
| 36 | S | 97.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 179.5 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | A32 Y33 D40 C41 | A32-S36 PolarHBondContact O-N 3.42Å; A32-S36 PolarHBondContact O-OG 3.27Å; Y33-S36 PolarHBondContact O-N 3.17Å; Y33-S36 PolarHBondContact O-OG 3.41Å; Y33-S36 VanDerWaalsContact O-OG 3.14Å; S36-D40 WeakPolarHBondContact O-CA 3.25Å; S36-D40 PolarHBondContact O-N 2.81Å; S36-D40 VanDerWaalsContact O-N 3.09Å; S36-C41 WeakPolarHBondContact CA-O 3.26Å; S36-C41 WeakPolarHBondContact CB-O 3.33Å; S36-C41 PolarHBondContact O-N 3.36Å |
| 37 | I | 97.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -75.5 | -36.9 | 178.9 | -59.5 | -61.2 | 0 | 0 | 0 | 112.5 | Y33 L35 | Y33-I37 HydrophobicContact CD2-CG1 4.26Å; Y33-I37 HydrophobicContact CE1-CG1 4.31Å; Y33-I37 HydrophobicContact CE2-CD1 4.26Å; Y33-I37 HydrophobicContact CE2-CG1 3.9Å; Y33-I37 WeakPolarHBondContact O-CG1 3.11Å; Y33-I37 PolarHBondContact O-N 3.09Å; Y33-I37 VanDerWaalsContact O-N 3.17Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 2.88Å |
| 38 | L | 98.2 | Very high | 97.2 | Very high | 143 Ų | 143 | 58.7 Ų | 58.7 | 75% | 0.749 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -77.6 | -20.5 | -178.1 | -73.1 | 171.7 | 0 | 0 | 0 | 114.2 | E34 L35 | E34-L38 WeakPolarHBondContact O-CB 3.22Å; E34-L38 WeakPolarHBondContact O-CD1 3.37Å; E34-L38 WeakPolarHBondContact O-CG 3.44Å; E34-L38 PolarHBondContact O-N 3.24Å; E34-L38 VanDerWaalsContact O-N 3.1Å; L35-L38 PolarHBondContact O-N 3.26Å |
| 39 | C | 97.5 | Very high | 97 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 51% | 0.507 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -123.2 | 0.7 | -174.2 | -61.1 | 0 | 0 | 0 | 0 | 114.5 | L35 C41 | L35-C39 WeakPolarHBondContact O-CB 2.85Å; L35-C39 PolarHBondContact O-N 2.88Å; L35-C39 VanDerWaalsContact O-N 3.11Å; C39-C41 VanDerWaalsContact C-N 3.29Å; C39-C41 HydrophobicContact CB-CB 4.48Å; C39-C41 PolarHBondContact O-N 3.33Å |
| 40 | D | 96.9 | Very high | 96.7 | Very high | 132 Ų | 132 | 59.9 Ų | 59.9 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 46.8 | -171.5 | -159.3 | 27.3 | 0 | 0 | 0 | 113 | S36 | S36-D40 WeakPolarHBondContact O-CA 3.25Å; S36-D40 PolarHBondContact O-N 2.81Å; S36-D40 VanDerWaalsContact O-N 3.09Å |
| 41 | C | 94.9 | Very high | 96.4 | Very high | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.081 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.7 | -177.3 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | S36 C39 I43 L634 S635 | S36-C41 WeakPolarHBondContact CA-O 3.26Å; S36-C41 WeakPolarHBondContact CB-O 3.33Å; S36-C41 PolarHBondContact O-N 3.36Å; C39-C41 VanDerWaalsContact C-N 3.29Å; C39-C41 HydrophobicContact CB-CB 4.48Å; C39-C41 PolarHBondContact O-N 3.33Å; C41-I43 HydrophobicContact CB-CG1 4.43Å; C41-L634 HydrophobicContact CB-CD2 3.7Å; C41-S635 WeakPolarHBondContact CA-O 3.4Å |
| 42 | E | 96.2 | Very high | 96.1 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 129.5 | 165.1 | -74.1 | -177.7 | -152.7 | 0 | 0 | 110.1 | S59 K64 I65 R68 S635 | E42-S59 WeakPolarHBondContact CA-OG 3.21Å; E42-K64 IonicContact OE1-NZ 2.76Å; E42-K64 PolarHBondContact OE1-NZ 3.49Å; E42-K64 IonicContact OE2-NZ 3.7Å; E42-I65 HydrophobicContact CB-CD1 4.27Å; E42-I65 HydrophobicContact CB-CG1 4.36Å; E42-R68 IonicContact OE1-CZ 2.72Å; E42-R68 IonicContact OE1-NH1 3.57Å; E42-R68 IonicContact OE1-NH2 2.7Å; E42-R68 PolarHBondContact OE1-NH2 3.17Å; E42-R68 IonicContact OE2-CZ 3.51Å; E42-R68 IonicContact OE2-NE 3.28Å; E42-R68 IonicContact OE2-NH1 3.33Å; E42-R68 PolarHBondContact OE2-NH1 3.34Å; E42-R68 IonicContact OE2-NH2 2.68Å; E42-R68 PolarHBondContact OE2-NH2 3.38Å; E42-S635 PolarHBondContact N-O 3.19Å; E42-S635 PolarHBondContact O-N 2.58Å |
| 43 | I | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | | | trans | -134.4 | 127.1 | -177.9 | -58.3 | 174.4 | 0 | 0 | 0 | 109.5 | A32 L35 C41 A58 S59 I65 L632 L634 | A32-I43 HydrophobicContact CB-CG2 4.23Å; A32-I43 WeakPolarHBondContact O-CD1 3.35Å; L35-I43 HydrophobicContact CB-CD1 3.88Å; C41-I43 HydrophobicContact CB-CG1 4.43Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.47Å; I43-S59 PolarHBondContact N-OG 2.95Å; I43-S59 PolarHBondContact O-N 2.87Å; I43-S59 PolarHBondContact O-OG 3.23Å; I43-I65 WeakPolarHBondContact O-CD1 3.33Å; I43-L632 HydrophobicContact CG2-CD1 4.43Å; I43-L632 HydrophobicContact CG2-CG 4.3Å; I43-L634 HydrophobicContact CD1-CD2 3.53Å; I43-L634 HydrophobicContact CG1-CD2 3.67Å |
| 44 | A | 97.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 61 Ų | 61 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M62 I65 | A44-M62 HydrophobicContact CB-SD 3.8Å; A44-I65 HydrophobicContact CB-CB 4.19Å; A44-I65 HydrophobicContact CB-CD1 4.35Å; A44-I65 HydrophobicContact CB-CG2 3.68Å |
| 45 | L | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 117.8 | 177.6 | 172.3 | 64.6 | 0 | 0 | 0 | 109.1 | L28 M29 V47 Q56 Y57 L630 | L28-L45 HydrophobicContact CD2-CD1 4.06Å; L28-L45 HydrophobicContact CD2-CD2 3.92Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; M29-L45 HydrophobicContact CG-CD2 4.16Å; L45-V47 HydrophobicContact CD1-CG2 4.11Å; L45-V47 HydrophobicContact CD2-CG2 4.48Å; L45-V47 HydrophobicContact CG-CG2 4.04Å; L45-Q56 CarbonylContact O-C 3.42Å; L45-Q56 WeakPolarHBondContact O-CA 3.43Å; L45-Y57 HydrophobicContact CB-CD1 4.27Å; L45-Y57 PolarHBondContact N-O 2.93Å; L45-Y57 PolarHBondContact O-N 3.35Å; L45-L630 HydrophobicContact CD1-CD2 4.23Å |
| 46 | I | 97.1 | Very high | 95.8 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 32% | 0.323 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.2 | 178.9 | -68 | 173 | 0 | 0 | 0 | 108 | F48 L54 L66 L630 | I46-F48 HydrophobicContact CG2-CD2 4.06Å; I46-F48 HydrophobicContact CG2-CE2 3.52Å; I46-F48 HydrophobicContact CG2-CZ 4.09Å; I46-L54 HydrophobicContact CG2-CD1 3.79Å; I46-L66 HydrophobicContact CD1-CD2 4.24Å; I46-L630 WeakPolarHBondContact O-CD2 3.4Å |
| 47 | V | 96.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 107.6 | -176.1 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | F21 L45 F55 L630 | F21-V47 HydrophobicContact CE2-CG1 3.8Å; F21-V47 HydrophobicContact CZ-CG1 4.08Å; L45-V47 HydrophobicContact CD1-CG2 4.11Å; L45-V47 HydrophobicContact CD2-CG2 4.48Å; L45-V47 HydrophobicContact CG-CG2 4.04Å; V47-F55 WeakPolarHBondContact CA-O 3.3Å; V47-F55 HydrophobicContact CB-CB 4.32Å; V47-F55 WeakPolarHBondContact CB-O 3.43Å; V47-F55 PolarHBondContact N-O 3.27Å; V47-F55 PolarHBondContact O-N 2.72Å; V47-L630 HydrophobicContact CB-CD2 4.15Å; V47-L630 HydrophobicContact CG1-CD2 4.18Å; V47-L630 HydrophobicContact CG2-CD2 3.75Å |
| 48 | F | 96.3 | Very high | 95.8 | Very high | 93 Ų | 93 | 54 Ų | 54 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | | | trans | -85 | 163.6 | 167.1 | -67 | -78.2 | 0 | 0 | 0 | 111.3 | I46 L54 P628 | I46-F48 HydrophobicContact CG2-CD2 4.06Å; I46-F48 HydrophobicContact CG2-CE2 3.52Å; I46-F48 HydrophobicContact CG2-CZ 4.09Å; F48-L54 HydrophobicContact CD1-CB 4.4Å; F48-L54 HydrophobicContact CD1-CD1 4.41Å; F48-L54 HydrophobicContact CE1-CB 4.1Å; F48-L54 HydrophobicContact CE1-CD1 3.92Å; F48-L54 HydrophobicContact CZ-CD1 4Å; F48-P628 HydrophobicContact CB-CB 4.43Å; F48-P628 WeakPolarHBondContact O-CB 3.49Å; F48-P628 WeakPolarHBondContact O-CG 3.24Å |
| 49 | T | 93.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | | | trans | -118.7 | 166.9 | 172.8 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | F21 S51 Q52 K53 F55 | F21-T49 HydrophobicContact CD1-CG2 4.45Å; F21-T49 HydrophobicContact CE1-CG2 3.68Å; F21-T49 HydrophobicContact CE2-CG2 3.88Å; F21-T49 HydrophobicContact CZ-CG2 3.34Å; T49-S51 PolarHBondContact O-N 3.23Å; T49-S51 PolarHBondContact OG1-N 3.15Å; T49-S51 PolarHBondContact OG1-OG 3.47Å; T49-Q52 WeakPolarHBondContact O-CA 3.35Å; T49-Q52 PolarHBondContact O-N 3.35Å; T49-Q52 PolarHBondContact O-OE1 3.41Å; T49-K53 PolarHBondContact N-O 2.79Å; T49-K53 PolarHBondContact OG1-N 3.13Å; T49-K53 PolarHBondContact OG1-O 3.01Å; T49-F55 HydrophobicContact CG2-CD2 4.03Å; T49-F55 HydrophobicContact CG2-CE2 3.64Å |
| 50 | S | 90.8 | Very high | 95.5 | Very high | 73 Ų | 73 | 47.8 Ų | 47.8 | 51% | 0.51 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -3.3 | 169.8 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 51 | S | 91.6 | Very high | 95.4 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 59% | 0.594 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 15.3 | 171.2 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | T49 K53 | T49-S51 PolarHBondContact O-N 3.23Å; T49-S51 PolarHBondContact OG1-N 3.15Å; T49-S51 PolarHBondContact OG1-OG 3.47Å; S51-K53 PolarHBondContact O-N 3.46Å; S51-K53 VanDerWaalsContact O-N 3.07Å |
| 52 | Q | 92.2 | Very high | 95.5 | Very high | 148 Ų | 148 | 47 Ų | 47 | 69% | 0.692 | 26% | 0.259 | S | S | * | . | | | trans | 52.1 | 24.2 | -177 | -52.5 | -65.1 | 34.9 | 0 | 0 | 115.5 | T49 | T49-Q52 WeakPolarHBondContact O-CA 3.35Å; T49-Q52 PolarHBondContact O-N 3.35Å; T49-Q52 PolarHBondContact O-OE1 3.41Å |
| 53 | K | 95 | Very high | 95.5 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | | | trans | -76.7 | 127 | 167 | -73 | -154.6 | 176.1 | -160.1 | 0 | 109.7 | T49 S51 F55 D203 | T49-K53 PolarHBondContact N-O 2.79Å; T49-K53 PolarHBondContact OG1-N 3.13Å; T49-K53 PolarHBondContact OG1-O 3.01Å; S51-K53 PolarHBondContact O-N 3.46Å; S51-K53 VanDerWaalsContact O-N 3.07Å; K53-F55 HydrophobicContact CB-CE2 3.86Å; K53-F55 HydrophobicContact CB-CZ 4.38Å; K53-D203 IonicContact NZ-OD1 2.79Å; K53-D203 PolarHBondContact NZ-OD1 2.82Å |
| 54 | L | 95.9 | Very high | 95.4 | Very high | 45 Ų | 45 | 56.1 Ų | 56.1 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | | | trans | -78.9 | 134.4 | 171.8 | 173.4 | 60.7 | 0 | 0 | 0 | 110.4 | I46 F48 | I46-L54 HydrophobicContact CG2-CD1 3.79Å; F48-L54 HydrophobicContact CD1-CB 4.4Å; F48-L54 HydrophobicContact CD1-CD1 4.41Å; F48-L54 HydrophobicContact CE1-CB 4.1Å; F48-L54 HydrophobicContact CE1-CD1 3.92Å; F48-L54 HydrophobicContact CZ-CD1 4Å |
| 55 | F | 96.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.8 | 162.9 | -59.9 | -91.6 | 0 | 0 | 0 | 109.1 | F21 K25 M29 V47 T49 K53 E201 | F21-F55 HydrophobicContact CE1-CD2 4.02Å; F21-F55 AromaticContact CE1-CE2 3.68Å; F21-F55 HydrophobicContact CE1-CE2 3.68Å; F21-F55 HydrophobicContact CE1-CZ 4.12Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.86Å; F21-F55 HydrophobicContact CZ-CE2 3.86Å; K25-F55 HydrophobicContact CD-CB 3.78Å; K25-F55 HydrophobicContact CD-CD1 3.84Å; K25-F55 HydrophobicContact CD-CD2 4.24Å; K25-F55 HydrophobicContact CD-CE1 4.45Å; K25-F55 HydrophobicContact CD-CG 3.69Å; K25-F55 VanDerWaalsContact CE-CD1 3.49Å; K25-F55 VanDerWaalsContact NZ-CD1 3.32Å; M29-F55 HydrophobicContact CE-CB 4.33Å; V47-F55 WeakPolarHBondContact CA-O 3.3Å; V47-F55 HydrophobicContact CB-CB 4.32Å; V47-F55 WeakPolarHBondContact CB-O 3.43Å; V47-F55 PolarHBondContact N-O 3.27Å; V47-F55 PolarHBondContact O-N 2.72Å; T49-F55 HydrophobicContact CG2-CD2 4.03Å; T49-F55 HydrophobicContact CG2-CE2 3.64Å; K53-F55 HydrophobicContact CB-CE2 3.86Å; K53-F55 HydrophobicContact CB-CZ 4.38Å; F55-E201 HydrophobicContact CE1-CG 3.98Å; F55-E201 WeakPolarHBondContact CE1-OE1 3.25Å |
| 56 | Q | 96.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.9 | -175 | 77.6 | -170.6 | 40.3 | 0 | 0 | 112.8 | M29 L45 M62 | M29-Q56 WeakPolarHBondContact CE-O 3.47Å; L45-Q56 CarbonylContact O-C 3.42Å; L45-Q56 WeakPolarHBondContact O-CA 3.43Å; Q56-M62 HydrophobicContact CB-CE 3.69Å; Q56-M62 HydrophobicContact CG-CE 3.92Å |
| 57 | Y | 97.6 | Very high | 95.2 | Very high | 20 Ų | 20 | 61.1 Ų | 61.1 | 8% | 0.078 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 139.2 | 169.9 | 165.7 | -88.4 | 0 | 0 | 0 | 108.7 | M29 A32 Y33 L45 M62 | M29-Y57 HydrophobicContact CG-CG 4.44Å; A32-Y57 HydrophobicContact CB-CD1 3.69Å; A32-Y57 HydrophobicContact CB-CE1 3.46Å; A32-Y57 VanDerWaalsContact CB-CE1 3.46Å; Y33-Y57 VanDerWaalsContact CA-OH 3.26Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.37Å; Y33-Y57 WeakPolarHBondContact CB-OH 3.42Å; L45-Y57 HydrophobicContact CB-CD1 4.27Å; L45-Y57 PolarHBondContact N-O 2.93Å; L45-Y57 PolarHBondContact O-N 3.35Å; Y57-M62 WeakPolarHBondContact O-CE 3.42Å |
| 58 | A | 97.4 | Very high | 95 | Very high | 25 Ų | 25 | 63 Ų | 63 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 152 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I43 S60 M62 I65 | I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.47Å; A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 WeakPolarHBondContact CB-O 3.32Å; A58-M62 HydrophobicContact CB-CB 4.3Å; A58-M62 HydrophobicContact CB-CE 3.82Å; A58-M62 HydrophobicContact CB-SD 4.19Å; A58-I65 HydrophobicContact CB-CD1 3.99Å |
| 59 | S | 96.4 | Very high | 94.8 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -75.2 | -21.8 | 173.2 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | E42 I43 | E42-S59 WeakPolarHBondContact CA-OG 3.21Å; I43-S59 PolarHBondContact N-OG 2.95Å; I43-S59 PolarHBondContact O-N 2.87Å; I43-S59 PolarHBondContact O-OG 3.23Å |
| 60 | S | 93.8 | Very high | 94.8 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -137.1 | -153.9 | 172.8 | 61 | 0 | 0 | 0 | 0 | 108.6 | A58 M62 | A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 WeakPolarHBondContact CB-O 3.32Å; S60-M62 PolarHBondContact O-N 2.83Å |
| 61 | D | 94.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 68 Ų | 68 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | | | trans | -62.9 | 132.6 | 174.1 | -43.1 | -72.6 | 0 | 0 | 0 | 111.1 | K64 I65 | D61-K64 HydrophobicContact CB-CB 4.03Å; D61-I65 PolarHBondContact O-N 3.45Å |
| 62 | M | 96.4 | Very high | 94.7 | Very high | 15 Ų | 15 | 70.2 Ų | 70.2 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | -178.3 | -178.3 | 65.6 | 71.7 | 0 | 0 | 111.3 | A44 Q56 Y57 A58 S60 K64 I65 L66 | A44-M62 HydrophobicContact CB-SD 3.8Å; Q56-M62 HydrophobicContact CB-CE 3.69Å; Q56-M62 HydrophobicContact CG-CE 3.92Å; Y57-M62 WeakPolarHBondContact O-CE 3.42Å; A58-M62 HydrophobicContact CB-CB 4.3Å; A58-M62 HydrophobicContact CB-CE 3.82Å; A58-M62 HydrophobicContact CB-SD 4.19Å; S60-M62 PolarHBondContact O-N 2.83Å; M62-K64 PolarHBondContact O-N 3.45Å; M62-I65 PolarHBondContact O-N 3.47Å; M62-L66 HydrophobicContact CG-CD1 3.74Å; M62-L66 HydrophobicContact CG-CG 4.21Å; M62-L66 WeakPolarHBondContact O-CG 3.42Å; M62-L66 PolarHBondContact O-N 2.97Å; M62-L66 HydrophobicContact SD-CD1 4.19Å; M62-L66 HydrophobicContact SD-CG 4.22Å |
| 63 | D | 95.8 | Very high | 94.1 | Very high | 125 Ų | 125 | 70.6 Ų | 70.6 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -31.5 | -173.9 | -46.5 | -52.9 | 0 | 0 | 0 | 111.7 | L67 | D63-L67 WeakPolarHBondContact O-CB 3.43Å; D63-L67 PolarHBondContact O-N 3.31Å |
| 64 | K | 95.1 | Very high | 93.6 | Very high | 94 Ų | 94 | 74.5 Ų | 74.5 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 173.2 | -175.5 | -155.8 | 178 | -154.5 | 0 | 111.9 | E42 D61 M62 R68 | E42-K64 IonicContact OE1-NZ 2.76Å; E42-K64 PolarHBondContact OE1-NZ 3.49Å; E42-K64 IonicContact OE2-NZ 3.7Å; D61-K64 HydrophobicContact CB-CB 4.03Å; M62-K64 PolarHBondContact O-N 3.45Å; K64-R68 WeakPolarHBondContact O-CB 3.43Å; K64-R68 PolarHBondContact O-N 3.24Å |
| 65 | I | 95.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 75.3 Ų | 75.3 | 9% | 0.087 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.2 | -39 | 179.4 | -56.6 | 175.6 | 0 | 0 | 0 | 110.2 | E42 I43 A44 A58 D61 M62 R68 Y69 | E42-I65 HydrophobicContact CB-CD1 4.27Å; E42-I65 HydrophobicContact CB-CG1 4.36Å; I43-I65 WeakPolarHBondContact O-CD1 3.33Å; A44-I65 HydrophobicContact CB-CB 4.19Å; A44-I65 HydrophobicContact CB-CD1 4.35Å; A44-I65 HydrophobicContact CB-CG2 3.68Å; A58-I65 HydrophobicContact CB-CD1 3.99Å; D61-I65 PolarHBondContact O-N 3.45Å; M62-I65 PolarHBondContact O-N 3.47Å; I65-R68 PolarHBondContact O-N 2.88Å; I65-Y69 WeakPolarHBondContact O-CB 3.4Å; I65-Y69 PolarHBondContact O-N 3.39Å |
| 66 | L | 95.8 | Very high | 92.8 | Very high | 67 Ų | 67 | 84 Ų | 84 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 176.1 | -66.1 | 176.9 | 0 | 0 | 0 | 112.2 | I46 M62 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.24Å; M62-L66 HydrophobicContact CG-CD1 3.74Å; M62-L66 HydrophobicContact CG-CG 4.21Å; M62-L66 WeakPolarHBondContact O-CG 3.42Å; M62-L66 PolarHBondContact O-N 2.97Å; M62-L66 HydrophobicContact SD-CD1 4.19Å; M62-L66 HydrophobicContact SD-CG 4.22Å; L66-Y69 WeakPolarHBondContact O-CB 3.33Å; L66-Y69 PolarHBondContact O-N 3.3Å; L66-T70 PolarHBondContact O-N 3Å |
| 67 | L | 94.6 | Very high | 92.6 | Very high | 103 Ų | 103 | 87.1 Ų | 87.1 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -51.2 | 172.6 | 179.7 | 61.7 | 0 | 0 | 0 | 110.6 | D63 Y69 T70 E71 | D63-L67 WeakPolarHBondContact O-CB 3.43Å; D63-L67 PolarHBondContact O-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.46Å; L67-T70 PolarHBondContact O-N 2.87Å; L67-T70 PolarHBondContact O-OG1 2.84Å; L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 2.82Å; L67-E71 VanDerWaalsContact O-N 3.12Å |
| 68 | R | 93.4 | Very high | 92.4 | Very high | 50 Ų | 50 | 89 Ų | 89 | 19% | 0.189 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -54.3 | -41.9 | 173.5 | -178.6 | -173.6 | -66 | 174 | 13.2 | 111.6 | E42 K64 I65 T70 E71 F72 S635 | E42-R68 IonicContact OE1-CZ 2.72Å; E42-R68 IonicContact OE1-NH1 3.57Å; E42-R68 IonicContact OE1-NH2 2.7Å; E42-R68 PolarHBondContact OE1-NH2 3.17Å; E42-R68 IonicContact OE2-CZ 3.51Å; E42-R68 IonicContact OE2-NE 3.28Å; E42-R68 IonicContact OE2-NH1 3.33Å; E42-R68 PolarHBondContact OE2-NH1 3.34Å; E42-R68 IonicContact OE2-NH2 2.68Å; E42-R68 PolarHBondContact OE2-NH2 3.38Å; K64-R68 WeakPolarHBondContact O-CB 3.43Å; K64-R68 PolarHBondContact O-N 3.24Å; I65-R68 PolarHBondContact O-N 2.88Å; R68-T70 VanDerWaalsContact C-N 3.31Å; R68-T70 PolarHBondContact O-N 3.39Å; R68-E71 WeakPolarHBondContact O-CB 3.35Å; R68-E71 PolarHBondContact O-N 3.22Å; R68-E71 VanDerWaalsContact O-N 3.14Å; R68-F72 HydrophobicContact CG-CD2 4.17Å; R68-F72 HydrophobicContact CG-CE2 3.71Å; R68-F72 VanDerWaalsContact O-CD2 3.25Å; R68-F72 WeakPolarHBondContact O-CD2 3.46Å; R68-F72 PolarHBondContact O-N 3.05Å; R68-S635 PolarHBondContact NH1-OG 3.07Å; R68-S635 VanDerWaalsContact NH1-OG 3.13Å |
| 69 | Y | 93.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 91.2 Ų | 91.2 | 31% | 0.31 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 177 | -177.7 | -98.1 | 0 | 0 | 0 | 111.9 | I65 L66 L67 E71 F72 L218 F633 | I65-Y69 WeakPolarHBondContact O-CB 3.4Å; I65-Y69 PolarHBondContact O-N 3.39Å; L66-Y69 WeakPolarHBondContact O-CB 3.33Å; L66-Y69 PolarHBondContact O-N 3.3Å; L67-Y69 PolarHBondContact O-N 3.46Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 3.32Å; Y69-F72 PolarHBondContact O-N 2.93Å; Y69-L218 HydrophobicContact CE1-CD1 4.41Å; Y69-F633 HydrophobicContact CD2-CD2 4.12Å; Y69-F633 HydrophobicContact CD2-CE2 4.22Å; Y69-F633 AromaticContact CE2-CD2 3.71Å; Y69-F633 HydrophobicContact CE2-CD2 3.71Å; Y69-F633 HydrophobicContact CE2-CE1 4.42Å; Y69-F633 AromaticContact CE2-CE2 3.36Å; Y69-F633 HydrophobicContact CE2-CE2 3.36Å; Y69-F633 HydrophobicContact CE2-CG 4.37Å; Y69-F633 AromaticContact CE2-CZ 3.76Å; Y69-F633 HydrophobicContact CE2-CZ 3.76Å; Y69-F633 AromaticContact CZ-CE2 3.9Å |
| 70 | T | 91.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 91.3 Ų | 91.3 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74.1 | -12.4 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 115.3 | L66 L67 R68 | L66-T70 PolarHBondContact O-N 3Å; L67-T70 PolarHBondContact O-N 2.87Å; L67-T70 PolarHBondContact O-OG1 2.84Å; R68-T70 VanDerWaalsContact C-N 3.31Å; R68-T70 PolarHBondContact O-N 3.39Å |
| 71 | E | 93.1 | Very high | 92.2 | Very high | 131 Ų | 131 | 93.6 Ų | 93.6 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -81.9 | -20.1 | 172.5 | -67.4 | 167.6 | 170.1 | 0 | 0 | 112.3 | L67 R68 Y69 | L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 2.82Å; L67-E71 VanDerWaalsContact O-N 3.12Å; R68-E71 WeakPolarHBondContact O-CB 3.35Å; R68-E71 PolarHBondContact O-N 3.22Å; R68-E71 VanDerWaalsContact O-N 3.14Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 3.32Å |
| 72 | F | 87.9 | Confident | 92.2 | Very high | 132 Ų | 132 | 93.7 Ų | 93.7 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | | | trans | -91.4 | 123.7 | 173.9 | -73.2 | -72.5 | 0 | 0 | 0 | 111.3 | R68 Y69 | R68-F72 HydrophobicContact CG-CD2 4.17Å; R68-F72 HydrophobicContact CG-CE2 3.71Å; R68-F72 VanDerWaalsContact O-CD2 3.25Å; R68-F72 WeakPolarHBondContact O-CD2 3.46Å; R68-F72 PolarHBondContact O-N 3.05Å; Y69-F72 PolarHBondContact O-N 2.93Å |
| 73 | N | 79.8 | Confident | 92.1 | Very high | 156 Ų | 156 | 95.6 Ų | 95.6 | 83% | 0.834 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -72 | -31.7 | 176.8 | -63.7 | -41.9 | 0 | 0 | 0 | 113 | | |
| 74 | E | 84.5 | Confident | 92 | Very high | 165 Ų | 165 | 93.2 Ų | 93.2 | 77% | 0.771 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -139.5 | 138.5 | -177.4 | -66.5 | -177.7 | 173.8 | 0 | 0 | 110.7 | | |
| 75 | P | 88.6 | Confident | 91.8 | Very high | 61 Ų | 61 | 91 Ų | 91 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | | | trans | -78.7 | 128.7 | 174.1 | 30.6 | -32.8 | 0 | 0 | 0 | 111.6 | E77 F633 | P75-E77 PolarHBondContact O-N 3.46Å; P75-E77 VanDerWaalsContact O-N 3.13Å; P75-F633 HydrophobicContact CB-CE1 3.64Å; P75-F633 HydrophobicContact CB-CZ 4.16Å |
| 76 | H | 87.6 | Confident | 91.7 | Very high | 195 Ų | 195 | 95.1 Ų | 95.1 | 90% | 0.903 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -51.2 | -37.2 | 174.6 | 171.3 | -79 | 0 | 0 | 0 | 113.3 | | |
| 77 | E | 92.1 | Very high | 91.4 | Very high | 120 Ų | 120 | 96 Ų | 96 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -142 | 119.4 | 168.7 | -178.5 | 166.8 | -146.8 | 0 | 0 | 109.9 | P75 K79 F633 | P75-E77 PolarHBondContact O-N 3.46Å; P75-E77 VanDerWaalsContact O-N 3.13Å; E77-K79 HydrophobicContact CG-CG 4.38Å; E77-K79 VanDerWaalsContact CG-NZ 3.27Å; E77-K79 WeakPolarHBondContact OE1-CE 3.34Å; E77-K79 IonicContact OE1-NZ 3.67Å; E77-K79 PolarHBondContact OE1-NZ 3.25Å; E77-F633 WeakPolarHBondContact O-CE1 3.5Å |
| 78 | S | 92.4 | Very high | 91.2 | Very high | 59 Ų | 59 | 95.3 Ų | 95.3 | 41% | 0.413 | 48% | 0.476 | S | S | . | . | | | trans | -98.6 | 152.7 | 164.9 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 79 | K | 93.3 | Very high | 90.9 | Very high | 72 Ų | 72 | 98 Ų | 98 | 31% | 0.313 | 49% | 0.494 | S | S | . | . | | | trans | -149.6 | 120.2 | 174.4 | -71.4 | -65.2 | 166.6 | -76.7 | 0 | 110.9 | E77 D83 L87 L631 | E77-K79 HydrophobicContact CG-CG 4.38Å; E77-K79 VanDerWaalsContact CG-NZ 3.27Å; E77-K79 WeakPolarHBondContact OE1-CE 3.34Å; E77-K79 IonicContact OE1-NZ 3.67Å; E77-K79 PolarHBondContact OE1-NZ 3.25Å; K79-D83 HydrophobicContact CD-CB 3.59Å; K79-L87 HydrophobicContact CD-CD1 4.35Å; K79-L631 WeakPolarHBondContact O-CD2 3.27Å |
| 80 | T | 96.1 | Very high | 90.5 | Very high | 47 Ų | 47 | 100.2 Ų | 100.2 | 29% | 0.288 | 50% | 0.502 | S | S | . | . | | | trans | -90.8 | 173.3 | 172.4 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | R82 D83 I84 | T80-R82 PolarHBondContact O-N 3.23Å; T80-R82 WeakPolarHBondContact OG1-CB 3.26Å; T80-R82 PolarHBondContact OG1-N 3.39Å; T80-D83 WeakPolarHBondContact CB-OD2 3.45Å; T80-D83 PolarHBondContact N-OD2 3.02Å; T80-D83 PolarHBondContact O-N 2.86Å; T80-D83 PolarHBondContact OG1-N 3.32Å; T80-D83 PolarHBondContact OG1-OD2 2.89Å; T80-I84 WeakPolarHBondContact O-CG1 3.48Å; T80-I84 PolarHBondContact O-N 3.46Å |
| 81 | N | 95.2 | Very high | 89.7 | Confident | 91 Ų | 91 | 104.5 Ų | 104.5 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -29.3 | 167.8 | -85.1 | -52.7 | 0 | 0 | 0 | 113.1 | A85 E629 | N81-A85 WeakPolarHBondContact O-CB 3.46Å; N81-A85 PolarHBondContact O-N 3.22Å; N81-E629 WeakPolarHBondContact CB-OE1 3.5Å; N81-E629 PolarHBondContact ND2-OE1 2.69Å |
| 82 | R | 94.1 | Very high | 88.3 | Confident | 115 Ų | 115 | 104.9 Ų | 104.9 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -50.2 | 178.2 | -64 | 176.9 | 169.3 | -166.4 | 0.8 | 111.3 | T80 I84 A85 E86 D225 | T80-R82 PolarHBondContact O-N 3.23Å; T80-R82 WeakPolarHBondContact OG1-CB 3.26Å; T80-R82 PolarHBondContact OG1-N 3.39Å; R82-I84 VanDerWaalsContact C-N 3.26Å; R82-I84 PolarHBondContact O-N 3.45Å; R82-A85 PolarHBondContact O-N 3.09Å; R82-A85 VanDerWaalsContact O-N 3.16Å; R82-E86 PolarHBondContact O-N 3.24Å; R82-D225 IonicContact CZ-OD1 2.69Å; R82-D225 IonicContact CZ-OD2 2.71Å; R82-D225 IonicContact NE-OD2 3.59Å; R82-D225 IonicContact NH1-OD1 3.13Å; R82-D225 PolarHBondContact NH1-OD1 3.44Å; R82-D225 IonicContact NH1-OD2 2.76Å; R82-D225 PolarHBondContact NH1-OD2 3.27Å; R82-D225 PolarHBondContact NH2-O 2.82Å; R82-D225 IonicContact NH2-OD1 3Å; R82-D225 PolarHBondContact NH2-OD1 2.88Å; R82-D225 IonicContact NH2-OD2 3.85Å |
| 83 | D | 94.4 | Very high | 86.6 | Confident | 55 Ų | 55 | 101.2 Ų | 101.2 | 29% | 0.294 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -54.5 | -44.4 | 176.3 | -64.1 | -80.4 | 0 | 0 | 0 | 112 | K79 T80 E86 L87 | K79-D83 HydrophobicContact CD-CB 3.59Å; T80-D83 WeakPolarHBondContact CB-OD2 3.45Å; T80-D83 PolarHBondContact N-OD2 3.02Å; T80-D83 PolarHBondContact O-N 2.86Å; T80-D83 PolarHBondContact OG1-N 3.32Å; T80-D83 PolarHBondContact OG1-OD2 2.89Å; D83-E86 PolarHBondContact O-N 3.5Å; D83-L87 WeakPolarHBondContact O-CB 3.33Å; D83-L87 VanDerWaalsContact O-CG 3.26Å; D83-L87 WeakPolarHBondContact O-CG 3.45Å; D83-L87 PolarHBondContact O-N 2.78Å |
| 84 | I | 93.4 | Very high | 85.3 | Confident | 75 Ų | 75 | 101.8 Ų | 101.8 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | -178 | -64.8 | 167.7 | 0 | 0 | 0 | 110.5 | T80 R82 L87 I88 | T80-I84 WeakPolarHBondContact O-CG1 3.48Å; T80-I84 PolarHBondContact O-N 3.46Å; R82-I84 VanDerWaalsContact C-N 3.26Å; R82-I84 PolarHBondContact O-N 3.45Å; I84-L87 PolarHBondContact O-N 3.22Å; I84-I88 HydrophobicContact CG2-CD1 4.15Å; I84-I88 WeakPolarHBondContact O-CD1 3.17Å; I84-I88 VanDerWaalsContact O-CG1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.33Å; I84-I88 PolarHBondContact O-N 3.15Å; I84-I88 VanDerWaalsContact O-N 3.08Å |
| 85 | A | 91.6 | Very high | 83.3 | Confident | 46 Ų | 46 | 100.3 Ų | 100.3 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N81 R82 L87 I88 N89 | N81-A85 WeakPolarHBondContact O-CB 3.46Å; N81-A85 PolarHBondContact O-N 3.22Å; R82-A85 PolarHBondContact O-N 3.09Å; R82-A85 VanDerWaalsContact O-N 3.16Å; A85-L87 PolarHBondContact O-N 2.85Å; A85-I88 PolarHBondContact O-N 3.1Å; A85-N89 VanDerWaalsContact O-CG 3.23Å; A85-N89 PolarHBondContact O-N 3.13Å; A85-N89 PolarHBondContact O-ND2 3.39Å |
| 86 | E | 92.4 | Very high | 80.7 | Confident | 105 Ų | 105 | 101.2 Ų | 101.2 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 174.9 | -71.8 | -166.8 | 178.5 | 0 | 0 | 113.4 | R82 D83 I88 N89 R90 | R82-E86 PolarHBondContact O-N 3.24Å; D83-E86 PolarHBondContact O-N 3.5Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 2.94Å; E86-N89 PolarHBondContact O-N 2.86Å; E86-R90 VanDerWaalsContact O-CB 3.24Å; E86-R90 WeakPolarHBondContact O-CB 3.31Å; E86-R90 VanDerWaalsContact O-CG 3.27Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 2.98Å; E86-R90 PolarHBondContact O-NE 2.87Å; E86-R90 IonicContact OE2-CZ 3.44Å; E86-R90 IonicContact OE2-NE 3.28Å; E86-R90 IonicContact OE2-NH2 2.79Å; E86-R90 PolarHBondContact OE2-NH2 3.4Å |
| 87 | L | 90 | Very high | 78.8 | Confident | 86 Ų | 86 | 101.4 Ų | 101.4 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -33.4 | 177.3 | -77 | 167.1 | 0 | 0 | 0 | 111.7 | K79 D83 I84 A85 K91 | K79-L87 HydrophobicContact CD-CD1 4.35Å; D83-L87 WeakPolarHBondContact O-CB 3.33Å; D83-L87 VanDerWaalsContact O-CG 3.26Å; D83-L87 WeakPolarHBondContact O-CG 3.45Å; D83-L87 PolarHBondContact O-N 2.78Å; I84-L87 PolarHBondContact O-N 3.22Å; A85-L87 PolarHBondContact O-N 2.85Å; L87-K91 WeakPolarHBondContact O-CB 3.36Å; L87-K91 PolarHBondContact O-N 3.26Å |
| 88 | I | 89.8 | Confident | 76.9 | Confident | 87 Ų | 87 | 103.3 Ų | 103.3 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -52.1 | 172.3 | -68.2 | 163.7 | 0 | 0 | 0 | 110.1 | I84 A85 E86 R90 K91 E92 | I84-I88 HydrophobicContact CG2-CD1 4.15Å; I84-I88 WeakPolarHBondContact O-CD1 3.17Å; I84-I88 VanDerWaalsContact O-CG1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.33Å; I84-I88 PolarHBondContact O-N 3.15Å; I84-I88 VanDerWaalsContact O-N 3.08Å; A85-I88 PolarHBondContact O-N 3.1Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 2.94Å; I88-R90 PolarHBondContact O-N 3.16Å; I88-K91 WeakPolarHBondContact O-CA 3.38Å; I88-K91 WeakPolarHBondContact O-CB 3.41Å; I88-K91 PolarHBondContact O-N 3.28Å; I88-E92 PolarHBondContact O-N 2.78Å |
| 89 | N | 87.6 | Confident | 74.4 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 58% | 0.578 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | -178 | -65.7 | -16.6 | 0 | 0 | 0 | 112 | A85 E86 K91 E92 G93 | A85-N89 VanDerWaalsContact O-CG 3.23Å; A85-N89 PolarHBondContact O-N 3.13Å; A85-N89 PolarHBondContact O-ND2 3.39Å; E86-N89 PolarHBondContact O-N 2.86Å; N89-K91 PolarHBondContact O-N 3.08Å; N89-E92 PolarHBondContact O-N 2.88Å; N89-G93 PolarHBondContact O-N 3.23Å; N89-G93 VanDerWaalsContact O-N 3.08Å |
| 90 | R | 84.7 | Confident | 72.1 | Confident | 125 Ų | 125 | 108.9 Ų | 108.9 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.7 | -21.6 | 174.7 | -75.5 | -177.7 | -82.8 | -176.3 | -14 | 113.4 | E86 I88 K94 | E86-R90 VanDerWaalsContact O-CB 3.24Å; E86-R90 WeakPolarHBondContact O-CB 3.31Å; E86-R90 VanDerWaalsContact O-CG 3.27Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 2.98Å; E86-R90 PolarHBondContact O-NE 2.87Å; E86-R90 IonicContact OE2-CZ 3.44Å; E86-R90 IonicContact OE2-NE 3.28Å; E86-R90 IonicContact OE2-NH2 2.79Å; E86-R90 PolarHBondContact OE2-NH2 3.4Å; I88-R90 PolarHBondContact O-N 3.16Å; R90-K94 WeakPolarHBondContact O-CB 3.48Å; R90-K94 WeakPolarHBondContact O-CG 3.36Å |
| 91 | K | 75.8 | Confident | 69.5 | Low | 164 Ų | 164 | 110.3 Ų | 110.3 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -89.6 | -36.5 | 178.8 | -172.4 | 173.8 | -176.7 | 173.4 | 0 | 112.6 | L87 I88 N89 | L87-K91 WeakPolarHBondContact O-CB 3.36Å; L87-K91 PolarHBondContact O-N 3.26Å; I88-K91 WeakPolarHBondContact O-CA 3.38Å; I88-K91 WeakPolarHBondContact O-CB 3.41Å; I88-K91 PolarHBondContact O-N 3.28Å; N89-K91 PolarHBondContact O-N 3.08Å |
| 92 | E | 63 | Low | 67.1 | Low | 139 Ų | 139 | 113.4 Ų | 113.4 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.8 | -37.3 | 172.8 | -62.9 | -161.5 | 153.2 | 0 | 0 | 110.9 | I88 N89 K94 | I88-E92 PolarHBondContact O-N 2.78Å; N89-E92 PolarHBondContact O-N 2.88Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 3.42Å |
| 93 | G | 52.7 | Low | 64.5 | Low | 55 Ų | 55 | 112.9 Ų | 112.9 | 57% | 0.567 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 1.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | N89 | N89-G93 PolarHBondContact O-N 3.23Å; N89-G93 VanDerWaalsContact O-N 3.08Å |
| 94 | K | 51.5 | Low | 62.4 | Low | 167 Ų | 167 | 116.9 Ų | 116.9 | 73% | 0.726 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 12.4 | -175.8 | -71.9 | -173 | 176.8 | -173 | 0 | 115.2 | R90 E92 | R90-K94 WeakPolarHBondContact O-CB 3.48Å; R90-K94 WeakPolarHBondContact O-CG 3.36Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 3.42Å |
| 95 | F | 42.3 | Very low | 59.9 | Low | 134 Ų | 134 | 117.5 Ų | 117.5 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -104.8 | 6.9 | 179.8 | -160.2 | -106.8 | 0 | 0 | 0 | 114.1 | | |
| 96 | S | 35.6 | Very low | 57.6 | Low | 80 Ų | 80 | 123 Ų | 123 | 56% | 0.559 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -98.6 | 7 | -170.7 | 55.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 97 | Y | 46.1 | Very low | 55 | Low | 200 Ų | 200 | 124.6 Ų | 124.6 | 78% | 0.784 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -136.1 | 22.4 | -173.2 | -65 | -75 | 0 | 0 | 0 | 114 | | |
| 98 | L | 52.4 | Low | 52.8 | Low | 159 Ų | 159 | 127.1 Ų | 127.1 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -135.5 | 33.5 | 179.9 | -67.8 | 175.2 | 0 | 0 | 0 | 112.4 | | |
| 99 | S | 41.3 | Very low | 50.9 | Low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -141.3 | 146.8 | 162.6 | -70.6 | 0 | 0 | 0 | 0 | 106.2 | | |
| 100 | D | 44.7 | Very low | 48.6 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | | | trans | 63.6 | 121.6 | -166 | -46.2 | -33.1 | 0 | 0 | 0 | 111.8 | | |
| 101 | G | 40.2 | Very low | 46 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | | | cis | 137.2 | -18.9 | 6.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 102 | D | 46.7 | Very low | 43.8 | Very low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | | | trans | -110.6 | 139.8 | -176.4 | -73.5 | -61.7 | 0 | 0 | 0 | 112.2 | | |
| 103 | A | 38.8 | Very low | 42.2 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | -112.8 | 99.9 | -179 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 104 | V | 50 | Low | 41.1 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | | | trans | -133 | 126.6 | 168.9 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 105 | S | 41.2 | Very low | 40.4 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | trans | -69.3 | 140.2 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 106 | N | 43.7 | Very low | 39.8 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | trans | -157.3 | 121.4 | 140.3 | -92.5 | -35.8 | 0 | 0 | 0 | 108.9 | | |
| 107 | N | 36.8 | Very low | 39.5 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | -88.9 | 147.6 | 174 | -60.8 | -47.1 | 0 | 0 | 0 | 109.9 | | |
| 108 | N | 45 | Very low | 38.9 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | 167.2 | 132.3 | 156.5 | -102.7 | 51.4 | 0 | 0 | 0 | 106.7 | | |
| 109 | D | 49.1 | Very low | 38.1 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | | | cis | -126.7 | -119.4 | -8 | -73.6 | -71.1 | 0 | 0 | 0 | 110.7 | | |
| 110 | P | 40.1 | Very low | 37.6 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | trans | -135.4 | 138.6 | -139.6 | 37.7 | -15.1 | 0 | 0 | 0 | 118 | | |
| 111 | F | 29.7 | Very low | 37 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | S | Bend | | 176.7 | 67.9 | 124.1 | -119 | -97 | 0 | 0 | 0 | 113.1 | | |
| 112 | F | 28.5 | Very low | 36.8 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | | | trans | -165 | 96.7 | 153.9 | -112.2 | -70.3 | 0 | 0 | 0 | 110.6 | | |
| 113 | S | 30.8 | Very low | 36.2 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -153.2 | 104 | 169.6 | 54.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 114 | N | 29.4 | Very low | 36.4 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | | 64 | 94 | 77.3 | -67.9 | 2.8 | 0 | 0 | 0 | 112.4 | | |
| 115 | T | 35.2 | Very low | 35.6 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -132.1 | 81.1 | 154.6 | -44 | 0 | 0 | 0 | 0 | 108.4 | | |
| 116 | T | 30 | Very low | 35.4 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -113.2 | 118.8 | 161.4 | -46.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 117 | D | 30.9 | Very low | 35.1 | Very low | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | 162.7 | 143.9 | 134.9 | -84.6 | -18.5 | 0 | 0 | 0 | 112.1 | | |
| 118 | Q | 32.5 | Very low | 34.9 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 60.5 | 115.2 | 165.8 | -21.7 | -166 | 33.5 | 0 | 0 | 118.3 | | |
| 119 | L | 34.9 | Very low | 34.1 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | | -170.9 | 137 | 106.1 | -98 | 166.3 | 0 | 0 | 0 | 112.6 | | |
| 120 | S | 31 | Very low | 33.3 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | trans | 14.4 | 116.2 | 158.6 | 58.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 121 | E | 32.6 | Very low | 33.1 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | | 62 | 151.3 | 127.4 | -60.4 | -169.2 | 149.4 | 0 | 0 | 122.7 | | |
| 122 | A | 36.6 | Very low | 33.3 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 61.3 | 102 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 123 | D | 33.7 | Very low | 33.7 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | -134.3 | 135.4 | 138.7 | -149.7 | -16.4 | 0 | 0 | 0 | 110.4 | | |
| 124 | V | 41.7 | Very low | 33.8 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -132.8 | 110.6 | -166.8 | 167.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 125 | S | 34.5 | Very low | 33.8 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | 79.7 | 109.4 | 148.4 | -134.5 | 0 | 0 | 0 | 0 | 119 | | |
| 126 | I | 36.1 | Very low | 33.7 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | | | | 87.1 | 126.3 | 116.2 | -82.1 | -176 | 0 | 0 | 0 | 120.9 | | |
| 127 | R | 36.9 | Very low | 33.8 | Very low | 208 Ų | 208 | 135 Ų | 135 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | 70.4 | 102.9 | 149.1 | -77.7 | 166.7 | -145.5 | -136.6 | 1.6 | 121.3 | | |
| 128 | T | 32.5 | Very low | 33.8 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | | 38.3 | 117.6 | 114.8 | 60.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 129 | G | 29.8 | Very low | 33.8 | Very low | 63 Ų | 63 | 131.8 Ų | 131.8 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | 161.1 | 81 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 130 | T | 32.2 | Very low | 33.7 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | 73.7 | 154 | 149.2 | 78.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 131 | K | 34.8 | Very low | 33.7 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | | | trans | 75.9 | 98.9 | 159.1 | -62.9 | 156.3 | -172.9 | 170.5 | 0 | 119.5 | | |
| 132 | T | 34.5 | Very low | 33.7 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | | 23.4 | 156.5 | 111.3 | 58.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 133 | P | 37.2 | Very low | 33.4 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | cis | -140.3 | -158.6 | -1.4 | 25 | 2.6 | 0 | 0 | 0 | 114 | | |
| 134 | I | 32.2 | Very low | 33.6 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | 118.3 | 121.3 | 145.4 | -62.1 | 162.7 | 0 | 0 | 0 | 115.5 | | |
| 135 | T | 29.1 | Very low | 33.4 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -105.6 | 157.3 | 172.3 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | S | 33.5 | Very low | 33.6 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | trans | -133.6 | 140.1 | 154.9 | 59.8 | 0 | 0 | 0 | 0 | 111 | | |
| 137 | S | 31.5 | Very low | 33.5 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -145.1 | 152 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 138 | V | 32.3 | Very low | 33.5 | Very low | 144 Ų | 144 | 133 Ų | 133 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | | | trans | -137.2 | 130.3 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 139 | S | 31.6 | Very low | 33.7 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -120 | 166 | -179.9 | -53.4 | 0 | 0 | 0 | 0 | 110 | | |
| 140 | M | 32.5 | Very low | 34.1 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 95% | 0.946 | 79% | 0.789 | S | S | * | * | | | trans | -138.5 | 141.2 | 158.1 | -98.4 | -177.6 | -83.1 | 0 | 0 | 109.8 | | |
| 141 | A | 31.2 | Very low | 34.3 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -156.3 | 153 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 142 | L | 33.2 | Very low | 34.5 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -160.7 | 160.9 | 173.7 | -80.6 | 175.5 | 0 | 0 | 0 | 108.7 | | |
| 143 | E | 31.3 | Very low | 34.5 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | | -157.9 | 160.9 | -67.2 | -121.4 | 179.2 | 173.5 | 0 | 0 | 110 | | |
| 144 | F | 36.4 | Very low | 34.4 | Very low | 205 Ų | 205 | 137 Ų | 137 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | | | trans | -150.5 | 137.3 | -179.3 | -93.7 | -74.6 | 0 | 0 | 0 | 113 | | |
| 145 | P | 38.4 | Very low | 34.5 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -118.9 | 161.2 | 156.8 | 36.8 | -26.1 | 0 | 0 | 0 | 112.1 | | |
| 146 | G | 38.3 | Very low | 34.9 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | cis | 113.3 | 128.7 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 147 | S | 35.2 | Very low | 34.8 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | -150.9 | -146.9 | -0.1 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 148 | I | 36.1 | Very low | 35 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | cis | -166.9 | 152.4 | 12.8 | -153.8 | 168.9 | 0 | 0 | 0 | 112.7 | | |
| 149 | S | 37 | Very low | 34.8 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | | | trans | 46 | 173.5 | 153.8 | 86.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 150 | D | 38.7 | Very low | 35 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | cis | -162.8 | 142.3 | 10.7 | -126.7 | -33 | 0 | 0 | 0 | 117.3 | | |
| 151 | I | 35 | Very low | 34.8 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | 51.4 | 160.6 | 152.8 | 47.9 | -179.5 | 0 | 0 | 0 | 127.1 | | |
| 152 | P | 39.1 | Very low | 34.9 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | trans | -138.2 | -151.7 | -153.3 | 44.8 | -23.8 | 0 | 0 | 0 | 117.4 | | |
| 153 | K | 35.6 | Very low | 34.8 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | | | trans | 109.3 | 156.3 | 166.5 | -66.2 | 169.3 | -175.3 | 174.3 | 0 | 116.3 | | |
| 154 | H | 34.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | cis | -169.8 | 125.6 | -6.2 | 151.6 | -61.1 | 0 | 0 | 0 | 115.6 | | |
| 155 | I | 33.9 | Very low | 35 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | 59.8 | -167.5 | 139.5 | -26 | 179.1 | 0 | 0 | 0 | 120.4 | | |
| 156 | P | 38.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | | -128.1 | -178.1 | -112.8 | 42.5 | -26 | 0 | 0 | 0 | 120.3 | | |
| 157 | G | 31.4 | Very low | 34.6 | Very low | 66 Ų | 66 | 130.4 Ų | 130.4 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | | | | 141.6 | 165.4 | 124.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 158 | I | 35 | Very low | 34.7 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | trans | 74.7 | 103.6 | 159.1 | -54.9 | 169.3 | 0 | 0 | 0 | 115.4 | | |
| 159 | T | 28.2 | Very low | 34.6 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | | | | 58.3 | 135.2 | 75.2 | 63.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 160 | H | 35 | Very low | 34.7 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | | -158.1 | -176.8 | 54.2 | -79.7 | -87.4 | 0 | 0 | 0 | 114.6 | | |
| 161 | S | 28.4 | Very low | 34.6 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | -65.6 | 169.6 | 176.3 | 49.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 162 | V | 34.2 | Very low | 34.7 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | | | | -163.7 | 169.9 | 85.8 | 156.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 163 | T | 30.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -86.7 | 166.7 | -162.7 | 47.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 164 | P | 37.5 | Very low | 34.4 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | | | trans | -110.9 | 174.3 | 177.5 | 42.5 | -34.9 | 0 | 0 | 0 | 116.1 | | |
| 165 | E | 34.1 | Very low | 34.2 | Very low | 190 Ų | 190 | 129.7 Ų | 129.7 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | | | trans | -141.2 | 171.1 | 166.1 | -62.1 | -177.3 | 157.8 | 0 | 0 | 108 | | |
| 166 | S | 32.6 | Very low | 34.1 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | | | cis | -167.7 | -161.7 | -43.3 | 67.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 167 | I | 37.4 | Very low | 34 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | 73.7 | 107.6 | 173.5 | -60.1 | 163.7 | 0 | 0 | 0 | 114.2 | | |
| 168 | T | 36.6 | Very low | 34.3 | Very low | 114 Ų | 114 | 136 Ų | 136 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | | 73.7 | 143.3 | 57.3 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 169 | D | 34.7 | Very low | 34 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | cis | -165.4 | -170.7 | -10 | -124.5 | -52.2 | 0 | 0 | 0 | 111.1 | | |
| 170 | Q | 37.5 | Very low | 34.4 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | 86.6 | 151.1 | 154.3 | -48.2 | -168.9 | 19.9 | 0 | 0 | 120.5 | | |
| 171 | H | 37.8 | Very low | 34.2 | Very low | 145 Ų | 145 | 132 Ų | 132 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | | | cis | -170.3 | 164.8 | -38.5 | -147.5 | -82.6 | 0 | 0 | 0 | 111.5 | | |
| 172 | M | 36.6 | Very low | 34.4 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | trans | 74.3 | 161.2 | 162.5 | -54.1 | -63.1 | 178.6 | 0 | 0 | 120.2 | | |
| 173 | N | 32.7 | Very low | 34.4 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | | -167.8 | 173.7 | -53.5 | -140.2 | -19.5 | 0 | 0 | 0 | 112 | | |
| 174 | A | 35 | Very low | 34.3 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | | | trans | 71.3 | 131.1 | 172 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 175 | T | 30.2 | Very low | 34.1 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | cis | 93.1 | 110.9 | 31.5 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 176 | Y | 33.7 | Very low | 34 | Very low | 231 Ų | 231 | 136.2 Ų | 136.2 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | | -175.6 | 151.2 | 129.4 | -106.7 | -68.8 | 0 | 0 | 0 | 112.1 | | |
| 177 | A | 35.2 | Very low | 34.1 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | -152.3 | 146.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 178 | P | 37.9 | Very low | 34.1 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | trans | -122.9 | 151.6 | 166.2 | 37.6 | -26.5 | 0 | 0 | 0 | 113.3 | | |
| 179 | S | 29.6 | Very low | 34.2 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -126.9 | 142.7 | 173.7 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 180 | S | 34.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -176.2 | 156.7 | 160.4 | -93.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 181 | S | 32 | Very low | 34.3 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | 74.6 | 113.4 | 158.9 | -147.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 182 | M | 31.6 | Very low | 34.3 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | | | trans | -93 | 150.2 | 158.5 | -63.7 | -166 | -59.5 | 0 | 0 | 110.2 | F184 | M182-F184 HydrophobicContact CE-CD2 4.37Å; M182-F184 HydrophobicContact CE-CE2 4.01Å; M182-F184 HydrophobicContact SD-CE2 3.95Å |
| 183 | H | 34.6 | Very low | 34.1 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | | | trans | -129.4 | 122.3 | 152.9 | -85.4 | -87.2 | 0 | 0 | 0 | 109.9 | | |
| 184 | F | 28.2 | Very low | 34.2 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 74% | 0.737 | 82% | 0.817 | S | S | * | * | | | trans | -90.9 | 132.6 | 168.1 | -90.7 | -94.1 | 0 | 0 | 0 | 109.7 | M182 | M182-F184 HydrophobicContact CE-CD2 4.37Å; M182-F184 HydrophobicContact CE-CE2 4.01Å; M182-F184 HydrophobicContact SD-CE2 3.95Å |
| 185 | T | 34.2 | Very low | 34.3 | Very low | 140 Ų | 140 | 151.7 Ų | 151.7 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | | | trans | -137.5 | 108 | 158.7 | 52.3 | 0 | 0 | 0 | 0 | 109 | | |
| 186 | T | 30.6 | Very low | 34.6 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | | | trans | -87.2 | 124.6 | 173.6 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 187 | S | 34.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -138.4 | 133.8 | 155.9 | -79.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 188 | A | 38.6 | Very low | 35.2 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | trans | -94.9 | 137.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 189 | E | 38.7 | Very low | 35.3 | Very low | 202 Ų | 202 | 148.7 Ų | 148.7 | 94% | 0.944 | 79% | 0.785 | S | S | * | * | | | trans | -142.6 | 163.1 | 159.4 | -143.3 | 159.4 | -151.2 | 0 | 0 | 111.3 | | |
| 190 | R | 35 | Very low | 36.1 | Very low | 237 Ų | 237 | 147.8 Ų | 147.8 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | | | trans | -91 | 165.2 | -152.8 | -73.5 | -177.9 | 169.6 | 111.5 | -7 | 114.8 | | |
| 191 | E | 37.9 | Very low | 36.4 | Very low | 185 Ų | 185 | 147.1 Ų | 147.1 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | trans | -46.6 | 137 | 172.5 | -57.5 | 158.8 | 97.9 | 0 | 0 | 113.8 | | |
| 192 | K | 38.4 | Very low | 36.7 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | | | trans | -146.1 | 93.6 | 137.5 | -110.9 | 175.8 | -175 | -179.8 | 0 | 109 | A194 | K192-A194 PolarHBondContact O-N 3.46Š|
| 193 | K | 33.1 | Very low | 36.7 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 90% | 0.9 | 73% | 0.727 | S | S | * | * | | | trans | -74.3 | 76.4 | 175.6 | -169.2 | -177.9 | -178.8 | -174.2 | 0 | 109.5 | | |
| 194 | A | 33.3 | Very low | 36.7 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | | | trans | -79.1 | 122.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | K192 N196 | K192-A194 PolarHBondContact O-N 3.46Å; A194-N196 PolarHBondContact O-N 3.25Å |
| 195 | E | 38.8 | Very low | 36.7 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | -69 | 101.5 | 172.5 | -66.4 | -178.1 | 155.9 | 0 | 0 | 109 | L197 | E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.39Å |
| 196 | N | 35.2 | Very low | 36.4 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | | | trans | -80.6 | 77.1 | -173.7 | -154.2 | 12.3 | 0 | 0 | 0 | 109.9 | A194 M198 | A194-N196 PolarHBondContact O-N 3.25Å; N196-M198 VanDerWaalsContact C-N 3.27Å; N196-M198 PolarHBondContact O-N 2.84Å |
| 197 | L | 40.2 | Very low | 36.4 | Very low | 95 Ų | 95 | 136 Ų | 136 | 50% | 0.497 | 72% | 0.723 | S | S | . | * | | | trans | -60.4 | 88.6 | 172.4 | -83 | 168 | 0 | 0 | 0 | 109.6 | Y33 E195 Y199 | Y33-L197 HydrophobicContact CD2-CD2 4.48Å; Y33-L197 HydrophobicContact CE2-CD2 4.42Å; E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.39Å; L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-Y199 PolarHBondContact O-N 2.85Å |
| 198 | M | 42.3 | Very low | 36.2 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | | | trans | -74.8 | 80.5 | -169 | -169.2 | 177.1 | 69.4 | 0 | 0 | 111.7 | N196 H200 | N196-M198 VanDerWaalsContact C-N 3.27Å; N196-M198 PolarHBondContact O-N 2.84Å; M198-H200 HydrophobicContact CG-CB 4.31Å; M198-H200 PolarHBondContact O-N 3.44Å |
| 199 | Y | 40.3 | Very low | 35.8 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 50% | 0.498 | 71% | 0.708 | S | S | . | * | | | trans | -67.5 | 78.4 | 162.5 | -71.4 | -72 | 0 | 0 | 0 | 110 | M29 L197 E201 | M29-Y199 HydrophobicContact CB-CE1 4.48Å; M29-Y199 HydrophobicContact SD-CD1 4.28Å; M29-Y199 HydrophobicContact SD-CE1 3.92Å; L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-Y199 PolarHBondContact O-N 2.85Å; Y199-E201 PolarHBondContact O-N 2.87Å |
| 200 | H | 46.1 | Very low | 35.4 | Very low | 92 Ų | 92 | 134 Ų | 134 | 43% | 0.426 | 70% | 0.701 | S | S | . | * | | | trans | -75.8 | 95.2 | 175.5 | -139.7 | -42.1 | 0 | 0 | 0 | 109.9 | M198 Q202 | M198-H200 HydrophobicContact CG-CB 4.31Å; M198-H200 PolarHBondContact O-N 3.44Å; H200-Q202 PolarHBondContact O-N 2.81Å |
| 201 | E | 40.2 | Very low | 35.3 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 53% | 0.533 | 69% | 0.689 | S | S | . | * | | | trans | -79.6 | 101.3 | 161.4 | -170.3 | 154.5 | 177.9 | 0 | 0 | 106.9 | F55 Y199 D203 | F55-E201 HydrophobicContact CE1-CG 3.98Å; F55-E201 WeakPolarHBondContact CE1-OE1 3.25Å; Y199-E201 PolarHBondContact O-N 2.87Å; E201-D203 PolarHBondContact O-N 3.49Å |
| 202 | Q | 38.6 | Very low | 35 | Very low | 83 Ų | 83 | 121.7 Ų | 121.7 | 39% | 0.388 | 67% | 0.671 | S | S | . | * | | | trans | -87 | 97.5 | 178 | -72.2 | -174.7 | -12.1 | 0 | 0 | 109.5 | H200 T204 | H200-Q202 PolarHBondContact O-N 2.81Å; Q202-T204 HydrophobicContact CB-CG2 4.2Å; Q202-T204 PolarHBondContact O-N 2.92Å |
| 203 | D | 31.9 | Very low | 35 | Very low | 106 Ų | 106 | 117.1 Ų | 117.1 | 57% | 0.567 | 66% | 0.664 | S | S | * | * | | | trans | -72.5 | 100.8 | 158.8 | -87.9 | -38.2 | 0 | 0 | 0 | 108.3 | K53 E201 T205 | K53-D203 IonicContact NZ-OD1 2.79Å; K53-D203 PolarHBondContact NZ-OD1 2.82Å; E201-D203 PolarHBondContact O-N 3.49Å; D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.1Å |
| 204 | T | 34.2 | Very low | 35 | Very low | 119 Ų | 119 | 116 Ų | 116 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | | | trans | -77.1 | 70 | -167.4 | 40.8 | 0 | 0 | 0 | 0 | 113.9 | Q202 | Q202-T204 HydrophobicContact CB-CG2 4.2Å; Q202-T204 PolarHBondContact O-N 2.92Å |
| 205 | T | 29.4 | Very low | 35.3 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 76% | 0.761 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -101.1 | 91.1 | 163.8 | 51 | 0 | 0 | 0 | 0 | 111 | D203 | D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.1Å |
| 206 | S | 27.8 | Very low | 35 | Very low | 127 Ų | 127 | 112.1 Ų | 112.1 | 89% | 0.888 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 65 | 127.2 | -179.8 | 72.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 207 | G | 30.6 | Very low | 35 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 73% | 0.732 | 62% | 0.617 | S | S | * | * | | | trans | 169.1 | 83.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 208 | V | 30.4 | Very low | 34.9 | Very low | 128 Ų | 128 | 109.4 Ų | 109.4 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | | | trans | 32.4 | 104.7 | 154.1 | -173.3 | 0 | 0 | 0 | 0 | 117.8 | I210 | V208-I210 HydrophobicContact CG1-CD1 3.75Å; V208-I210 HydrophobicContact CG1-CG1 3.82Å |
| 209 | V | 29.9 | Very low | 34.4 | Very low | 107 Ų | 107 | 106.1 Ų | 106.1 | 65% | 0.648 | 60% | 0.601 | S | S | * | * | | | trans | -92.6 | 122.7 | 165.2 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | E212 | V209-E212 HydrophobicContact CG1-CG 3.77Š|
| 210 | I | 30 | Very low | 34.2 | Very low | 156 Ų | 156 | 107.7 Ų | 107.7 | 80% | 0.8 | 61% | 0.606 | S | S | * | * | | | trans | -141.7 | 122.1 | 169.5 | -61.3 | 174.9 | 0 | 0 | 0 | 107 | V208 | V208-I210 HydrophobicContact CG1-CD1 3.75Å; V208-I210 HydrophobicContact CG1-CG1 3.82Å |
| 211 | G | 32 | Very low | 33.8 | Very low | 64 Ų | 64 | 110.7 Ų | 110.7 | 66% | 0.66 | 62% | 0.621 | S | S | * | * | | | trans | 135.3 | 1.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | S213 | G211-S213 PolarHBondContact O-N 3.21Š|
| 212 | E | 31.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 110.3 Ų | 110.3 | 47% | 0.467 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | 107 | -176.3 | -65.2 | -176.4 | 148.8 | 0 | 0 | 112.7 | V209 | V209-E212 HydrophobicContact CG1-CG 3.77Š|
| 213 | S | 38.8 | Very low | 33.2 | Very low | 104 Ų | 104 | 112.8 Ų | 112.8 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.7 | -22.5 | 161.9 | -77 | 0 | 0 | 0 | 0 | 115.1 | G211 | G211-S213 PolarHBondContact O-N 3.21Š|
| 214 | R | 33.8 | Very low | 33.2 | Very low | 183 Ų | 183 | 114.7 Ų | 114.7 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -126.2 | -13.7 | 177.1 | -74.2 | 176.3 | 72.4 | 175.5 | -1.2 | 115.5 | N216 E217 | R214-N216 VanDerWaalsContact C-N 3.28Å; R214-N216 PolarHBondContact O-N 2.78Å; R214-E217 PolarHBondContact O-N 3Å |
| 215 | V | 38.5 | Very low | 33 | Very low | 89 Ų | 89 | 113.8 Ų | 113.8 | 54% | 0.539 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63 | -37.1 | 176.6 | -177 | 0 | 0 | 0 | 0 | 111.3 | E217 L218 C219 | V215-E217 VanDerWaalsContact C-N 3.28Å; V215-E217 PolarHBondContact O-N 3.14Å; V215-L218 PolarHBondContact O-N 3.5Å; V215-C219 PolarHBondContact O-N 2.7Å; V215-C219 VanDerWaalsContact O-N 3.17Å; V215-C219 PolarHBondContact O-SG 3.43Å |
| 216 | N | 33 | Very low | 33 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 42% | 0.422 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -69.8 | -21.4 | -178 | -63.6 | -10.5 | 0 | 0 | 0 | 113.7 | R214 R220 | R214-N216 VanDerWaalsContact C-N 3.28Å; R214-N216 PolarHBondContact O-N 2.78Å; N216-R220 WeakPolarHBondContact O-CG 3.45Å |
| 217 | E | 35.5 | Very low | 33.2 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 54% | 0.542 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72.1 | -51.5 | 173.5 | -127.3 | 73.8 | -112.4 | 0 | 0 | 110.4 | R214 V215 C219 R220 E221 | R214-E217 PolarHBondContact O-N 3Å; V215-E217 VanDerWaalsContact C-N 3.28Å; V215-E217 PolarHBondContact O-N 3.14Å; E217-C219 VanDerWaalsContact C-N 3.27Å; E217-C219 PolarHBondContact O-N 3.26Å; E217-R220 WeakPolarHBondContact O-CB 3.43Å; E217-R220 PolarHBondContact O-N 3.4Å; E217-E221 PolarHBondContact O-N 3.18Å |
| 218 | L | 37.4 | Very low | 33.3 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 38% | 0.377 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.3 | -35.7 | 179.4 | -71 | 168.5 | 0 | 0 | 0 | 112.2 | Y69 V215 R220 I222 | Y69-L218 HydrophobicContact CE1-CD1 4.41Å; V215-L218 PolarHBondContact O-N 3.5Å; L218-R220 PolarHBondContact O-N 2.82Å; L218-I222 WeakPolarHBondContact O-CD1 3.17Å; L218-I222 VanDerWaalsContact O-CG1 3.32Å; L218-I222 WeakPolarHBondContact O-CG1 3.34Å; L218-I222 PolarHBondContact O-N 2.67Å |
| 219 | C | 33.2 | Very low | 33.2 | Very low | 67 Ų | 67 | 120 Ų | 120 | 45% | 0.453 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.7 | -15.4 | 174.2 | -69.5 | 0 | 0 | 0 | 0 | 114.2 | V215 E217 I223 | V215-C219 PolarHBondContact O-N 2.7Å; V215-C219 VanDerWaalsContact O-N 3.17Å; V215-C219 PolarHBondContact O-SG 3.43Å; E217-C219 VanDerWaalsContact C-N 3.27Å; E217-C219 PolarHBondContact O-N 3.26Å; C219-I223 WeakPolarHBondContact O-CD1 3.28Å; C219-I223 WeakPolarHBondContact O-CG1 3.29Å |
| 220 | R | 36.1 | Very low | 33.3 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -85.8 | -38.2 | 176.5 | -76.8 | 172.4 | 169.2 | 175 | -3.5 | 112.9 | N216 E217 L218 I222 | N216-R220 WeakPolarHBondContact O-CG 3.45Å; E217-R220 WeakPolarHBondContact O-CB 3.43Å; E217-R220 PolarHBondContact O-N 3.4Å; L218-R220 PolarHBondContact O-N 2.82Å; R220-I222 VanDerWaalsContact C-N 3.34Å |
| 221 | E | 36.5 | Very low | 33.4 | Very low | 155 Ų | 155 | 120.9 Ų | 120.9 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.8 | -33.1 | 176.9 | -65.2 | -169 | 134.4 | 0 | 0 | 112.4 | E217 I223 | E217-E221 PolarHBondContact O-N 3.18Å; E221-I223 PolarHBondContact O-N 2.67Å |
| 222 | I | 33.2 | Very low | 33.1 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 54% | 0.538 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -6.3 | -175.5 | -65.1 | 170.5 | 0 | 0 | 0 | 113.3 | L218 R220 | L218-I222 WeakPolarHBondContact O-CD1 3.17Å; L218-I222 VanDerWaalsContact O-CG1 3.32Å; L218-I222 WeakPolarHBondContact O-CG1 3.34Å; L218-I222 PolarHBondContact O-N 2.67Å; R220-I222 VanDerWaalsContact C-N 3.34Å |
| 223 | I | 34.2 | Very low | 33.2 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 70% | 0.697 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -3.7 | -176 | -68.7 | 177.1 | 0 | 0 | 0 | 113.1 | C219 E221 | C219-I223 WeakPolarHBondContact O-CD1 3.28Å; C219-I223 WeakPolarHBondContact O-CG1 3.29Å; E221-I223 PolarHBondContact O-N 2.67Å |
| 224 | L | 30.1 | Very low | 32.7 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | | | trans | -104 | 59.7 | -172.3 | -67 | 176.7 | 0 | 0 | 0 | 114.3 | | |
| 225 | D | 30.5 | Very low | 32.6 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 54% | 0.535 | 67% | 0.667 | S | S | . | * | | | trans | -157.5 | 56.9 | 173.4 | -137 | 1.1 | 0 | 0 | 0 | 116.6 | R82 | R82-D225 IonicContact CZ-OD1 2.69Å; R82-D225 IonicContact CZ-OD2 2.71Å; R82-D225 IonicContact NE-OD2 3.59Å; R82-D225 IonicContact NH1-OD1 3.13Å; R82-D225 PolarHBondContact NH1-OD1 3.44Å; R82-D225 IonicContact NH1-OD2 2.76Å; R82-D225 PolarHBondContact NH1-OD2 3.27Å; R82-D225 PolarHBondContact NH2-O 2.82Å; R82-D225 IonicContact NH2-OD1 3Å; R82-D225 PolarHBondContact NH2-OD1 2.88Å; R82-D225 IonicContact NH2-OD2 3.85Å |
| 226 | D | 29.9 | Very low | 32.3 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 86% | 0.856 | 68% | 0.68 | S | S | * | * | | | trans | -139.5 | 62.5 | 172.8 | -152.1 | 11.6 | 0 | 0 | 0 | 112.8 | | |
| 227 | E | 32.3 | Very low | 32.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | | | trans | -129 | 141.3 | 173 | -101.4 | -62.2 | 171 | 0 | 0 | 112.3 | | |
| 228 | T | 31.2 | Very low | 31.9 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | | | trans | 52.6 | 113.5 | 177.9 | 67.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 229 | N | 29.5 | Very low | 31.6 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | | | trans | -175.5 | 86.7 | 135.9 | -105.5 | -67.3 | 0 | 0 | 0 | 112.4 | | |
| 230 | Q | 31.4 | Very low | 31.4 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | | | trans | -130.8 | 120.3 | 157.8 | -84.8 | -68.3 | -18.2 | 0 | 0 | 107.8 | F232 | Q230-F232 PolarHBondContact O-N 3.19Š|
| 231 | P | 31.3 | Very low | 31.3 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | -73.3 | 118.5 | -176.7 | 28.6 | -33.1 | 0 | 0 | 0 | 110.4 | N233 | P231-N233 PolarHBondContact O-N 2.76Š|
| 232 | F | 27 | Very low | 30.9 | Very low | 209 Ų | 209 | 142 Ų | 142 | 92% | 0.917 | 74% | 0.743 | S | S | * | * | | | trans | -59.8 | 127.9 | 164.2 | -90.3 | -101 | 0 | 0 | 0 | 109.5 | Q230 | Q230-F232 PolarHBondContact O-N 3.19Š|
| 233 | N | 33.9 | Very low | 30.8 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | | | trans | -128.3 | 135 | 152.3 | -101 | -55 | 0 | 0 | 0 | 107.8 | P231 | P231-N233 PolarHBondContact O-N 2.76Š|
| 234 | S | 28.6 | Very low | 30.5 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -78.9 | 151.8 | -176.9 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 235 | D | 31.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | | -164.8 | 169.5 | 100.7 | -95.8 | -4.1 | 0 | 0 | 0 | 112.5 | | |
| 236 | L | 31.6 | Very low | 30.7 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | -111.1 | 163.7 | -150.9 | -73.8 | 163.8 | 0 | 0 | 0 | 114.4 | | |
| 237 | R | 29.2 | Very low | 30.5 | Very low | 234 Ų | 234 | 146.6 Ų | 146.6 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | trans | 103.4 | 144.6 | 154.9 | -58.7 | 179.3 | 173.8 | -138 | -3.2 | 117.1 | | |
| 238 | S | 30.2 | Very low | 30.3 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | cis | 155.9 | 110.4 | -44.1 | 58.4 | 0 | 0 | 0 | 0 | 111 | | |
| 239 | S | 31.2 | Very low | 30.2 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -177.2 | 133.3 | 142 | -82.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 240 | S | 30.4 | Very low | 30.3 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | | | | 69.2 | 133 | 66.8 | -131.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 241 | R | 33 | Very low | 30.3 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | cis | -160.8 | 146.2 | 16.6 | -157.7 | 170.7 | -67 | 171.2 | -0.7 | 114.2 | | |
| 242 | N | 29 | Very low | 30.4 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | | | trans | 1.7 | 136.6 | 159.7 | -41.6 | -5 | 0 | 0 | 0 | 122 | | |
| 243 | H | 31.7 | Very low | 30.6 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | | | | 176.9 | 178.8 | 102.5 | -96.7 | -68 | 0 | 0 | 0 | 114.6 | | |
| 244 | I | 27.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | trans | -157.3 | 151.5 | -154.2 | -91.3 | 153.4 | 0 | 0 | 0 | 107.4 | | |
| 245 | P | 33.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | | | cis | -147.3 | 170.8 | 39 | 38.1 | -15.1 | 0 | 0 | 0 | 121 | | |
| 246 | Q | 30.7 | Very low | 30.5 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | | | trans | 23.4 | 155.9 | 137.3 | -52.2 | 177 | 1.9 | 0 | 0 | 126.6 | | |
| 247 | I | 26.2 | Very low | 30.8 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | | 137.5 | 125.4 | 124.4 | -65 | -163.4 | 0 | 0 | 0 | 116.8 | | |
| 248 | H | 28.1 | Very low | 30.9 | Very low | 165 Ų | 165 | 136 Ų | 136 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | | | trans | 63.4 | 163.5 | 159.3 | -83.4 | 49.7 | 0 | 0 | 0 | 122 | | |
| 249 | F | 29.2 | Very low | 31.2 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | | | cis | -180 | 157.2 | -46.8 | -117.5 | -69.5 | 0 | 0 | 0 | 109.3 | | |
| 250 | G | 31.2 | Very low | 31.3 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | | | trans | 166.2 | 144.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 251 | S | 30.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | -149.6 | 161.8 | -163.7 | -49.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 252 | Q | 34.5 | Very low | 31.5 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | 176 | 173.7 | 158.5 | -100.8 | -166.3 | -60.6 | 0 | 0 | 108.8 | | |
| 253 | E | 29.7 | Very low | 31.6 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | cis | 179.2 | 165.7 | -39.7 | -102.9 | 174.9 | -166.7 | 0 | 0 | 107.3 | | |
| 254 | F | 31.8 | Very low | 31.6 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | cis | -165.7 | 160.4 | -4.5 | -128.5 | -41.9 | 0 | 0 | 0 | 111 | | |
| 255 | S | 30.5 | Very low | 31.9 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | trans | 73.6 | 145.4 | 135.2 | -172.6 | 0 | 0 | 0 | 0 | 123 | | |
| 256 | T | 31.6 | Very low | 32 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | | | cis | -169.4 | 168.1 | -24.2 | 38.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 257 | H | 37.7 | Very low | 32 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | 84.5 | 153.7 | 148.6 | -65.7 | -48.6 | 0 | 0 | 0 | 123.2 | | |
| 258 | N | 31.5 | Very low | 32.3 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 52% | 0.524 | 76% | 0.758 | S | S | . | * | | | | 170.8 | 142 | -64.6 | 178.4 | -43.2 | 0 | 0 | 0 | 111.7 | | |
| 259 | R | 34.9 | Very low | 32.5 | Very low | 234 Ų | 234 | 138.7 Ų | 138.7 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | 143.4 | 114.9 | 140.2 | -77.6 | -179.9 | 176 | 175.5 | -0.5 | 120.4 | | |
| 260 | G | 32.9 | Very low | 32.6 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | | | trans | 65.3 | 163.6 | 133.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 261 | S | 32.5 | Very low | 32.4 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | | | cis | -175.3 | 170 | -13.9 | 54 | 0 | 0 | 0 | 0 | 113.4 | | |
| 262 | S | 35.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | 75.2 | 153.9 | 163.9 | 79.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 263 | L | 31.4 | Very low | 32.3 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | cis | -172.1 | 173.7 | -22 | -171.6 | 69.3 | 0 | 0 | 0 | 109.1 | | |
| 264 | I | 32.9 | Very low | 32.3 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | 78 | 143.1 | 163.3 | -55.3 | -176.9 | 0 | 0 | 0 | 116.9 | | |
| 265 | D | 32.4 | Very low | 32.2 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | cis | -164.7 | 165.1 | -36 | -95.2 | -39.7 | 0 | 0 | 0 | 110.6 | | |
| 266 | P | 35.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | -117.1 | 111.1 | -168 | 37.4 | -25 | 0 | 0 | 0 | 117.3 | | |
| 267 | N | 31.7 | Very low | 32.4 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -173 | 133.3 | 153.5 | -121.4 | -76.5 | 0 | 0 | 0 | 114.6 | | |
| 268 | M | 33 | Very low | 31.8 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 96% | 0.956 | 76% | 0.76 | S | S | * | * | | | trans | -171.5 | 158.4 | 137.6 | -108.4 | -175 | -175.1 | 0 | 0 | 112 | | |
| 269 | K | 30.7 | Very low | 31.6 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | trans | -131.5 | 152.5 | -170.8 | -65 | -179.3 | -179.7 | 178 | 0 | 113.5 | | |
| 270 | S | 31.7 | Very low | 31.3 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -160.7 | 118 | 157.6 | -150.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 271 | I | 28.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | cis | 56.2 | 109 | 42.1 | -31.6 | 176.3 | 0 | 0 | 0 | 108.6 | | |
| 272 | V | 31 | Very low | 31.3 | Very low | 134 Ų | 134 | 139 Ų | 139 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | | -155.1 | 151 | 56.5 | 162.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 273 | S | 30.8 | Very low | 31.1 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | cis | -167.3 | 178.4 | -19.6 | -85.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 274 | S | 29.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | -86.5 | 161.6 | -178.7 | -48.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 275 | D | 30.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | | -174.4 | 163.9 | 98.7 | -96.2 | -26.6 | 0 | 0 | 0 | 115.7 | | |
| 276 | H | 34.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | trans | 75.7 | 90.2 | 171.9 | -60.8 | -63.1 | 0 | 0 | 0 | 121.2 | | |
| 277 | L | 31.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | | | | 59.5 | 140.2 | 123.2 | -59.3 | 164.7 | 0 | 0 | 0 | 120.9 | | |
| 278 | S | 26.7 | Very low | 31.6 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | | | cis | -173.1 | 141.7 | -17 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 279 | S | 26.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | | | trans | 60 | 112.6 | 160.8 | -174 | 0 | 0 | 0 | 0 | 119.4 | | |
| 280 | F | 28.9 | Very low | 32 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 89% | 0.89 | 69% | 0.689 | S | S | * | * | | | | -164.2 | 156.8 | 108.6 | -98.8 | -68.7 | 0 | 0 | 0 | 109.9 | | |
| 281 | R | 30.9 | Very low | 32.3 | Very low | 205 Ų | 205 | 130.9 Ų | 130.9 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | | | trans | -98.5 | 141.4 | -172.8 | -66.3 | -170.8 | -177.7 | -173.4 | 2.3 | 113.3 | E283 | R281-E283 WeakPolarHBondContact CD-OE1 3.36Å; R281-E283 IonicContact CZ-OE1 3.59Å; R281-E283 IonicContact NE-OE1 2.61Å; R281-E283 IonicContact NH1-OE1 3.92Å; R281-E283 PolarHBondContact NH1-OE1 3.38Å; R281-E283 PolarHBondContact O-N 2.68Å |
| 282 | P | 33.7 | Very low | 32.9 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | | | trans | -97.3 | 66.2 | 172.5 | 37.9 | -33.8 | 0 | 0 | 0 | 113 | N284 | P282-N284 PolarHBondContact O-N 3.28Š|
| 283 | E | 31.9 | Very low | 33.2 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | | | trans | -91.4 | 90.5 | 168.1 | -72.2 | 173.9 | -130.5 | 0 | 0 | 109.1 | R281 | R281-E283 WeakPolarHBondContact CD-OE1 3.36Å; R281-E283 IonicContact CZ-OE1 3.59Å; R281-E283 IonicContact NE-OE1 2.61Å; R281-E283 IonicContact NH1-OE1 3.92Å; R281-E283 PolarHBondContact NH1-OE1 3.38Å; R281-E283 PolarHBondContact O-N 2.68Å |
| 284 | N | 33.7 | Very low | 33.4 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 61% | 0.61 | 64% | 0.643 | S | S | * | * | | | trans | -176.3 | -18.5 | 164.1 | -102.8 | -21.5 | 0 | 0 | 0 | 114.9 | P282 Q286 N287 | P282-N284 PolarHBondContact O-N 3.28Å; N284-Q286 PolarHBondContact O-N 3.5Å; N284-Q286 VanDerWaalsContact O-N 3.13Å; N284-N287 WeakPolarHBondContact O-CB 3.01Å; N284-N287 PolarHBondContact O-N 3.42Å; N284-N287 PolarHBondContact OD1-ND2 2.86Å |
| 285 | I | 38.1 | Very low | 33.6 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -18.9 | -170.4 | -65.4 | 171.3 | 0 | 0 | 0 | 113.9 | | |
| 286 | Q | 34.8 | Very low | 33.8 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 70% | 0.696 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -39.8 | 170.2 | -68.5 | -73.9 | -13.5 | 0 | 0 | 111.9 | N284 F288 R289 S290 | N284-Q286 PolarHBondContact O-N 3.5Å; N284-Q286 VanDerWaalsContact O-N 3.13Å; Q286-F288 PolarHBondContact O-N 3.16Å; Q286-R289 PolarHBondContact O-N 2.98Å; Q286-R289 VanDerWaalsContact O-N 3.15Å; Q286-S290 PolarHBondContact O-N 3.3Å; Q286-S290 VanDerWaalsContact O-N 3.13Å; Q286-S290 PolarHBondContact O-OG 3.48Å |
| 287 | N | 34.2 | Very low | 34 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 47% | 0.465 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.7 | -44.8 | -172.9 | -62.8 | -11.8 | 0 | 0 | 0 | 112 | N284 R289 S290 E291 | N284-N287 WeakPolarHBondContact O-CB 3.01Å; N284-N287 PolarHBondContact O-N 3.42Å; N284-N287 PolarHBondContact OD1-ND2 2.86Å; N287-R289 PolarHBondContact O-N 2.78Å; N287-S290 CarbonylContact O-C 3.56Å; N287-S290 WeakPolarHBondContact O-CA 3.47Å; N287-S290 WeakPolarHBondContact O-CB 3.27Å; N287-S290 PolarHBondContact O-N 2.92Å; N287-E291 PolarHBondContact O-N 3.21Å |
| 288 | F | 33.5 | Very low | 34.3 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 47% | 0.465 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.1 | -32.5 | 177.5 | -167.6 | -92.9 | 0 | 0 | 0 | 112.8 | Q286 V292 | Q286-F288 PolarHBondContact O-N 3.16Å; F288-V292 HydrophobicContact CD1-CG2 4.27Å; F288-V292 HydrophobicContact CE1-CG2 4.08Å; F288-V292 HydrophobicContact CZ-CG2 4.38Å; F288-V292 WeakPolarHBondContact O-CG2 3.3Å; F288-V292 PolarHBondContact O-N 3.38Å |
| 289 | R | 39 | Very low | 34.8 | Very low | 202 Ų | 202 | 118.9 Ų | 118.9 | 76% | 0.762 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.1 | -28.3 | 176.7 | -161.6 | 177.4 | -170.7 | 175.7 | 3.1 | 112.3 | Q286 N287 Q293 | Q286-R289 PolarHBondContact O-N 2.98Å; Q286-R289 VanDerWaalsContact O-N 3.15Å; N287-R289 PolarHBondContact O-N 2.78Å; R289-Q293 WeakPolarHBondContact O-CB 3.45Å |
| 290 | S | 33.9 | Very low | 35.2 | Very low | 58 Ų | 58 | 120 Ų | 120 | 41% | 0.406 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.8 | -56.4 | 168.6 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | Q286 N287 V292 Q293 D294 | Q286-S290 PolarHBondContact O-N 3.3Å; Q286-S290 VanDerWaalsContact O-N 3.13Å; Q286-S290 PolarHBondContact O-OG 3.48Å; N287-S290 CarbonylContact O-C 3.56Å; N287-S290 WeakPolarHBondContact O-CA 3.47Å; N287-S290 WeakPolarHBondContact O-CB 3.27Å; N287-S290 PolarHBondContact O-N 2.92Å; S290-V292 PolarHBondContact O-N 3.28Å; S290-Q293 CarbonylContact O-C 3.53Å; S290-Q293 WeakPolarHBondContact O-CA 3.42Å; S290-Q293 WeakPolarHBondContact O-CB 3.41Å; S290-Q293 PolarHBondContact O-N 3.29Å; S290-D294 WeakPolarHBondContact O-CB 3.48Å; S290-D294 PolarHBondContact O-N 2.69Å |
| 291 | E | 37.3 | Very low | 35.5 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -55.2 | -43.3 | -175.6 | -75.1 | -177 | 102.7 | 0 | 0 | 113.8 | N287 Q293 D294 C295 | N287-E291 PolarHBondContact O-N 3.21Å; E291-Q293 VanDerWaalsContact C-N 3.27Å; E291-Q293 PolarHBondContact O-N 2.68Å; E291-D294 PolarHBondContact O-N 3.04Å; E291-C295 WeakPolarHBondContact O-CB 3.44Å; E291-C295 PolarHBondContact O-N 3.16Å |
| 292 | V | 39.6 | Very low | 35.4 | Very low | 91 Ų | 91 | 110 Ų | 110 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.4 | -30.8 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | F288 S290 | F288-V292 HydrophobicContact CD1-CG2 4.27Å; F288-V292 HydrophobicContact CE1-CG2 4.08Å; F288-V292 HydrophobicContact CZ-CG2 4.38Å; F288-V292 WeakPolarHBondContact O-CG2 3.3Å; F288-V292 PolarHBondContact O-N 3.38Å; S290-V292 PolarHBondContact O-N 3.28Å |
| 293 | Q | 38 | Very low | 35.3 | Very low | 104 Ų | 104 | 108.9 Ų | 108.9 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -82.8 | -31.2 | 175.6 | -168.9 | 65.1 | 66.3 | 0 | 0 | 112.1 | R289 S290 E291 F296 N297 | R289-Q293 WeakPolarHBondContact O-CB 3.45Å; S290-Q293 CarbonylContact O-C 3.53Å; S290-Q293 WeakPolarHBondContact O-CA 3.42Å; S290-Q293 WeakPolarHBondContact O-CB 3.41Å; S290-Q293 PolarHBondContact O-N 3.29Å; E291-Q293 VanDerWaalsContact C-N 3.27Å; E291-Q293 PolarHBondContact O-N 2.68Å; Q293-F296 CarbonylContact O-C 3.59Å; Q293-F296 VanDerWaalsContact O-CB 3.31Å; Q293-F296 WeakPolarHBondContact O-CB 3.34Å; Q293-F296 PolarHBondContact O-N 2.88Å; Q293-N297 PolarHBondContact NE2-OD1 3.39Å; Q293-N297 VanDerWaalsContact NE2-OD1 3.08Å; Q293-N297 WeakPolarHBondContact O-CB 3.48Å; Q293-N297 PolarHBondContact O-N 2.92Å; Q293-N297 PolarHBondContact O-ND2 2.75Å; Q293-N297 PolarHBondContact O-OD1 3.48Å |
| 294 | D | 34.5 | Very low | 35.2 | Very low | 74 Ų | 74 | 109.4 Ų | 109.4 | 40% | 0.396 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -79.1 | -33.8 | -179.4 | -79.5 | -41.5 | 0 | 0 | 0 | 111.7 | S290 E291 F296 N297 N298 | S290-D294 WeakPolarHBondContact O-CB 3.48Å; S290-D294 PolarHBondContact O-N 2.69Å; E291-D294 PolarHBondContact O-N 3.04Å; D294-F296 PolarHBondContact O-N 3.4Å; D294-N297 PolarHBondContact O-N 2.79Å; D294-N298 WeakPolarHBondContact CA-ND2 3.26Å; D294-N298 WeakPolarHBondContact CB-ND2 3.45Å; D294-N298 VanDerWaalsContact O-CB 3.25Å; D294-N298 WeakPolarHBondContact O-CB 3.33Å; D294-N298 PolarHBondContact O-N 3.43Å; D294-N298 PolarHBondContact O-ND2 2.78Å; D294-N298 PolarHBondContact OD1-ND2 3.4Å |
| 295 | C | 35 | Very low | 34.9 | Very low | 84 Ų | 84 | 109.2 Ų | 109.2 | 57% | 0.568 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -28.8 | 164.9 | -76.1 | 0 | 0 | 0 | 0 | 112 | E291 | E291-C295 WeakPolarHBondContact O-CB 3.44Å; E291-C295 PolarHBondContact O-N 3.16Å |
| 296 | F | 34.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 111 Ų | 111 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.5 | -41.5 | 175.3 | -144.6 | -90.9 | 0 | 0 | 0 | 111.9 | Q293 D294 | Q293-F296 CarbonylContact O-C 3.59Å; Q293-F296 VanDerWaalsContact O-CB 3.31Å; Q293-F296 WeakPolarHBondContact O-CB 3.34Å; Q293-F296 PolarHBondContact O-N 2.88Å; D294-F296 PolarHBondContact O-N 3.4Å |
| 297 | N | 38 | Very low | 34.1 | Very low | 79 Ų | 79 | 107.2 Ų | 107.2 | 42% | 0.422 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -83.7 | -42.3 | -174 | -66.4 | -7.1 | 0 | 0 | 0 | 113.5 | Q293 D294 N299 L300 | Q293-N297 PolarHBondContact NE2-OD1 3.39Å; Q293-N297 VanDerWaalsContact NE2-OD1 3.08Å; Q293-N297 WeakPolarHBondContact O-CB 3.48Å; Q293-N297 PolarHBondContact O-N 2.92Å; Q293-N297 PolarHBondContact O-ND2 2.75Å; Q293-N297 PolarHBondContact O-OD1 3.48Å; D294-N297 PolarHBondContact O-N 2.79Å; N297-N299 PolarHBondContact O-N 3.39Å; N297-L300 PolarHBondContact O-N 2.84Å |
| 298 | N | 38.2 | Very low | 33.8 | Very low | 90 Ų | 90 | 110.8 Ų | 110.8 | 48% | 0.481 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | -20.4 | -170.5 | -66.4 | -69.7 | 0 | 0 | 0 | 113.5 | D294 L300 L301 S302 | D294-N298 WeakPolarHBondContact CA-ND2 3.26Å; D294-N298 WeakPolarHBondContact CB-ND2 3.45Å; D294-N298 VanDerWaalsContact O-CB 3.25Å; D294-N298 WeakPolarHBondContact O-CB 3.33Å; D294-N298 PolarHBondContact O-N 3.43Å; D294-N298 PolarHBondContact O-ND2 2.78Å; D294-N298 PolarHBondContact OD1-ND2 3.4Å; N298-L300 PolarHBondContact O-N 3.21Å; N298-L301 PolarHBondContact O-N 2.9Å; N298-L301 VanDerWaalsContact O-N 3.16Å; N298-S302 PolarHBondContact O-N 2.79Å |
| 299 | N | 37.1 | Very low | 33.6 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.6 | -6.4 | 174.8 | -114 | -6.5 | 0 | 0 | 0 | 114 | N297 L301 S302 | N297-N299 PolarHBondContact O-N 3.39Å; N299-L301 VanDerWaalsContact C-N 3.33Å; N299-S302 WeakPolarHBondContact CA-OG 3.39Å; N299-S302 PolarHBondContact O-OG 3.44Å; N299-S302 PolarHBondContact OD1-OG 2.73Å |
| 300 | L | 34.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 112 Ų | 112 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -82.1 | -9.6 | 168.6 | -103.5 | 164.8 | 0 | 0 | 0 | 113.5 | N297 N298 | N297-L300 PolarHBondContact O-N 2.84Å; N298-L300 PolarHBondContact O-N 3.21Å |
| 301 | L | 34.4 | Very low | 33.1 | Very low | 133 Ų | 133 | 115 Ų | 115 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -108.9 | -20.8 | 179.1 | -70.3 | 169.5 | 0 | 0 | 0 | 113.4 | N298 N299 | N298-L301 PolarHBondContact O-N 2.9Å; N298-L301 VanDerWaalsContact O-N 3.16Å; N299-L301 VanDerWaalsContact C-N 3.33Å |
| 302 | S | 30.4 | Very low | 32.9 | Very low | 66 Ų | 66 | 115.4 Ų | 115.4 | 46% | 0.462 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -71.5 | -30.6 | 173.9 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | N298 N299 L304 | N298-S302 PolarHBondContact O-N 2.79Å; N299-S302 WeakPolarHBondContact CA-OG 3.39Å; N299-S302 PolarHBondContact O-OG 3.44Å; N299-S302 PolarHBondContact OD1-OG 2.73Å; S302-L304 VanDerWaalsContact C-N 3.26Å; S302-L304 PolarHBondContact O-N 2.71Å |
| 303 | A | 30.2 | Very low | 32.6 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 304 | L | 29.7 | Very low | 32.4 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | 19.5 | -170.8 | -71.7 | 172.2 | 0 | 0 | 0 | 114.8 | S302 | S302-L304 VanDerWaalsContact C-N 3.26Å; S302-L304 PolarHBondContact O-N 2.71Å |
| 305 | S | 27.4 | Very low | 32.2 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | | | trans | -129.6 | 15.9 | -171.9 | -124.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 306 | I | 28.9 | Very low | 32.2 | Very low | 176 Ų | 176 | 124.4 Ų | 124.4 | 90% | 0.903 | 70% | 0.703 | S | S | * | * | | | trans | -118.2 | 87.9 | 176.4 | -52.2 | 179.9 | 0 | 0 | 0 | 109.1 | | |
| 307 | G | 27.7 | Very low | 32.2 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | trans | -179.3 | 39.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 308 | N | 27.4 | Very low | 32.4 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | | | trans | -158 | 173.5 | 171.7 | -106.1 | -46.8 | 0 | 0 | 0 | 110.4 | | |
| 309 | Q | 30.4 | Very low | 32.2 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | | | trans | 75.7 | 78.9 | -174.6 | -46.7 | -82.6 | 24.8 | 0 | 0 | 114.3 | | |
| 310 | N | 32.7 | Very low | 32.1 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | | -176.1 | 141.7 | 110.2 | -85.5 | -22.4 | 0 | 0 | 0 | 110.3 | | |
| 311 | T | 28.5 | Very low | 32 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -105.3 | -172.9 | -177.8 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 312 | D | 34.9 | Very low | 32.1 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | 83.2 | 138.7 | 162 | -56.7 | 3.8 | 0 | 0 | 0 | 117.5 | | |
| 313 | N | 31.9 | Very low | 32.2 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | | | cis | -164.7 | 145.5 | -31.6 | -134 | -37.1 | 0 | 0 | 0 | 110.9 | | |
| 314 | F | 34.3 | Very low | 32.6 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | 60 | 151.7 | 176 | -47.5 | -77 | 0 | 0 | 0 | 117.4 | | |
| 315 | G | 31.1 | Very low | 32.8 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | cis | 177.2 | 167.1 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 316 | N | 34.8 | Very low | 33.4 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | trans | 77.8 | 76.5 | 159 | -56.4 | -18.6 | 0 | 0 | 0 | 122.9 | | |
| 317 | R | 34 | Very low | 33.6 | Very low | 233 Ų | 233 | 130.8 Ų | 130.8 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | | -11.9 | 171.5 | 122 | -88.9 | -172.9 | 150.6 | -133.8 | 0.7 | 119.3 | | |
| 318 | P | 41 | Very low | 33.8 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | cis | -151.4 | -166.9 | -43.2 | 45.1 | -25 | 0 | 0 | 0 | 115.9 | | |
| 319 | A | 34.4 | Very low | 34.1 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | 70.6 | 158.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 320 | T | 36.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | cis | -143.4 | -172.3 | 20.2 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 321 | S | 32.4 | Very low | 34.2 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | cis | -170.8 | 164.9 | -41.7 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 322 | A | 35.3 | Very low | 34.8 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | 69.9 | 154.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 323 | H | 33.6 | Very low | 34.7 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | cis | -170.6 | 173.5 | -17.1 | 179.9 | -140.7 | 0 | 0 | 0 | 110.3 | | |
| 324 | L | 37.5 | Very low | 34.6 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 71% | 0.707 | 78% | 0.782 | S | S | * | * | | | trans | 81.6 | 85.3 | 167.6 | -58 | 177.3 | 0 | 0 | 0 | 121.7 | | |
| 325 | S | 35.4 | Very low | 34.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | | 35.9 | 152.3 | 116.4 | -52.9 | 0 | 0 | 0 | 0 | 124.9 | | |
| 326 | P | 38.8 | Very low | 34.6 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -111.9 | 178.6 | -168.1 | 43.6 | -34.4 | 0 | 0 | 0 | 116.1 | | |
| 327 | G | 34.4 | Very low | 34.5 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -128.3 | 158.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 328 | S | 31.4 | Very low | 34.5 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -115.5 | 164.1 | -171.9 | 54.1 | 0 | 0 | 0 | 0 | 113 | | |
| 329 | F | 32.4 | Very low | 33.8 | Very low | 185 Ų | 185 | 135.8 Ų | 135.8 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | | 163.7 | 165.6 | 106.5 | -146.3 | -104.8 | 0 | 0 | 0 | 113.8 | | |
| 330 | S | 33.5 | Very low | 33.9 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | 71.7 | 130.9 | 160.7 | 26.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 331 | E | 33.1 | Very low | 33.5 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -113.5 | -144.3 | -175.5 | -158 | -159.6 | -146.1 | 0 | 0 | 109.3 | | |
| 332 | P | 40.4 | Very low | 33.7 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | | | | -124.7 | 175.1 | -123 | 43.4 | -26.8 | 0 | 0 | 0 | 117.1 | | |
| 333 | S | 33.1 | Very low | 33.7 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -164 | 134.5 | 145.9 | 39 | 0 | 0 | 0 | 0 | 108.7 | | |
| 334 | S | 29.9 | Very low | 33.6 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | cis | 84 | 103.9 | 47.8 | -168.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 335 | Y | 32.7 | Very low | 33.3 | Very low | 244 Ų | 244 | 135.7 Ų | 135.7 | 96% | 0.957 | 80% | 0.801 | S | S | * | * | | | trans | -142 | 151.9 | 156.1 | -104.1 | -81.5 | 0 | 0 | 0 | 109.6 | | |
| 336 | A | 33.1 | Very low | 33.4 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 66% | 0.661 | 81% | 0.805 | S | S | * | * | | | trans | -135.9 | -161 | -161.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 337 | T | 31.1 | Very low | 33.1 | Very low | 134 Ų | 134 | 147 Ų | 147 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | trans | 71.4 | 148.5 | 175.5 | 13.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 338 | Q | 34.3 | Very low | 33.3 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | cis | -129 | 154.7 | 11.1 | -62.2 | -179.5 | 1.4 | 0 | 0 | 113.9 | | |
| 339 | R | 27.7 | Very low | 33.6 | Very low | 252 Ų | 252 | 154.5 Ų | 154.5 | 95% | 0.951 | 81% | 0.81 | S | S | * | * | | | trans | -105.7 | 138.1 | 153.4 | -95 | -172.3 | 171.4 | -158.8 | 0.5 | 108.3 | | |
| 340 | S | 34.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -139.7 | 144.6 | 157.3 | 51 | 0 | 0 | 0 | 0 | 109.5 | | |
| 341 | S | 29.6 | Very low | 33.8 | Very low | 107 Ų | 107 | 157.1 Ų | 157.1 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | -93.4 | 168.9 | 175.6 | 50.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 342 | L | 36.4 | Very low | 33.9 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | trans | -178.4 | 153.4 | 131.2 | -97.5 | 164.4 | 0 | 0 | 0 | 113.8 | | |
| 343 | T | 34.4 | Very low | 33.6 | Very low | 115 Ų | 115 | 158.5 Ų | 158.5 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | | | trans | 66.5 | 115.6 | 150.3 | 48.2 | 0 | 0 | 0 | 0 | 123.6 | | |
| 344 | S | 31.7 | Very low | 33.5 | Very low | 106 Ų | 106 | 160.7 Ų | 160.7 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | | | | 81.1 | 101.2 | 118.5 | -57.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 345 | S | 31.3 | Very low | 33.9 | Very low | 127 Ų | 127 | 159.4 Ų | 159.4 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -55.9 | 135.2 | 155 | -48.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 346 | R | 36.9 | Very low | 33.9 | Very low | 228 Ų | 228 | 158.3 Ų | 158.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -123.2 | 114.7 | 152.9 | -76.2 | -166.3 | 176.8 | -159.9 | 0.3 | 110.1 | I348 | R346-I348 PolarHBondContact O-N 2.76Å; R346-I348 VanDerWaalsContact O-N 3.16Å |
| 347 | R | 32.9 | Very low | 33.9 | Very low | 252 Ų | 252 | 161.2 Ų | 161.2 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | | | trans | -71.4 | 98.6 | 173.2 | 176.5 | -169 | -80.1 | 171.3 | -7.3 | 108.7 | | |
| 348 | I | 39.4 | Very low | 33.9 | Very low | 148 Ų | 148 | 162.4 Ų | 162.4 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | | | trans | -109.3 | 141.1 | 171.8 | -61.5 | -177.7 | 0 | 0 | 0 | 109.1 | R346 | R346-I348 PolarHBondContact O-N 2.76Å; R346-I348 VanDerWaalsContact O-N 3.16Å |
| 349 | K | 37.9 | Very low | 33.9 | Very low | 201 Ų | 201 | 165 Ų | 165 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 144.5 | -168.5 | -60.7 | 175.1 | -178.8 | 177.8 | 0 | 111.4 | | |
| 350 | R | 35.4 | Very low | 34.2 | Very low | 235 Ų | 235 | 161.6 Ų | 161.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 136.8 | 163.4 | -65.7 | -179.5 | -179.6 | 175.9 | 0.5 | 108.3 | V352 | R350-V352 PolarHBondContact O-N 3.21Š|
| 351 | P | 34 | Very low | 34.1 | Very low | 115 Ų | 115 | 166.7 Ų | 166.7 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.9 | 159 | 29.2 | -31.3 | 0 | 0 | 0 | 108.2 | | |
| 352 | V | 35.3 | Very low | 34.5 | Very low | 121 Ų | 121 | 166.6 Ų | 166.6 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 137.7 | 159.6 | 176.6 | 0 | 0 | 0 | 0 | 106.4 | R350 E354 | R350-V352 PolarHBondContact O-N 3.21Å; V352-E354 HydrophobicContact CG1-CG 4.37Å |
| 353 | F | 34.3 | Very low | 34.4 | Very low | 197 Ų | 197 | 168.9 Ų | 168.9 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -137 | 83.2 | 175.8 | -134.6 | -77.1 | 0 | 0 | 0 | 108.7 | | |
| 354 | E | 29.9 | Very low | 34.5 | Very low | 161 Ų | 161 | 169.4 Ų | 169.4 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -96.9 | 164.6 | 154.6 | -65.1 | 172.7 | 164.5 | 0 | 0 | 107.3 | V352 | V352-E354 HydrophobicContact CG1-CG 4.37Š|
| 355 | P | 38.9 | Very low | 34.6 | Very low | 81 Ų | 81 | 170 Ų | 170 | 53% | 0.526 | 81% | 0.806 | S | S | . | * | | | cis | -116.1 | -171.7 | -7.7 | 40.3 | -27.1 | 0 | 0 | 0 | 111.4 | | |
| 356 | Y | 33.5 | Very low | 35.3 | Very low | 221 Ų | 221 | 170 Ų | 170 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | | 179.7 | 128.5 | 113.7 | -90.3 | -61.6 | 0 | 0 | 0 | 108.8 | | |
| 357 | D | 33 | Very low | 35.2 | Very low | 141 Ų | 141 | 165.8 Ų | 165.8 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | -90.6 | 172.9 | -166 | -64.6 | -77.5 | 0 | 0 | 0 | 114.8 | | |
| 358 | E | 30.9 | Very low | 35.3 | Very low | 159 Ų | 159 | 160.3 Ų | 160.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | 46 | 93.8 | 161.3 | -64.7 | -162 | 114.8 | 0 | 0 | 119.5 | | |
| 359 | Y | 33.8 | Very low | 35 | Very low | 229 Ų | 229 | 162 Ų | 162 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -128.7 | 131.9 | 136.1 | -78.9 | -79 | 0 | 0 | 0 | 111 | | |
| 360 | F | 33.6 | Very low | 34.8 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -71.5 | 131.6 | -166.5 | -115.3 | -117.6 | 0 | 0 | 0 | 113.1 | | |
| 361 | Y | 33.6 | Very low | 34.9 | Very low | 220 Ų | 220 | 158.7 Ų | 158.7 | 86% | 0.863 | 79% | 0.79 | S | S | * | * | | | trans | -108.7 | 108.3 | 162.1 | -87 | -80.7 | 0 | 0 | 0 | 109.8 | K363 | Y361-K363 PolarHBondContact O-N 3.16Š|
| 362 | P | 37.5 | Very low | 35 | Very low | 105 Ų | 105 | 158.2 Ų | 158.2 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | | | trans | -72.1 | 113.4 | 174.6 | 28.7 | -32.4 | 0 | 0 | 0 | 110.6 | | |
| 363 | K | 35 | Very low | 35.1 | Very low | 203 Ų | 203 | 164.1 Ų | 164.1 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -99.4 | 107.2 | 162.2 | -75.9 | -175.6 | 176.8 | -179.7 | 0 | 108.8 | Y361 | Y361-K363 PolarHBondContact O-N 3.16Š|
| 364 | T | 36.4 | Very low | 35.2 | Very low | 126 Ų | 126 | 160.4 Ų | 160.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -119 | 99.7 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 365 | S | 33.8 | Very low | 35.6 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -77.9 | 128.2 | 158.4 | -61.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 366 | P | 45 | Very low | 35.7 | Very low | 127 Ų | 127 | 161.6 Ų | 161.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -77.1 | 138.8 | 176.9 | 31.4 | -33.6 | 0 | 0 | 0 | 110.4 | | |
| 367 | N | 35.1 | Very low | 36 | Very low | 141 Ų | 141 | 158.7 Ų | 158.7 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | | | trans | -152.6 | 107.6 | 170.9 | -159.1 | 21.6 | 0 | 0 | 0 | 112.8 | | |
| 368 | I | 35.1 | Very low | 36.2 | Very low | 136 Ų | 136 | 157 Ų | 157 | 70% | 0.697 | 80% | 0.804 | S | S | * | * | | | trans | 65.8 | 148.3 | 153.2 | -70.1 | 170.2 | 0 | 0 | 0 | 119 | | |
| 369 | E | 32.9 | Very low | 36.5 | Very low | 184 Ų | 184 | 157.2 Ų | 157.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | 66.3 | 142.7 | 169.8 | -81.7 | 166.2 | 151.8 | 0 | 0 | 118.4 | | |
| 370 | S | 33.1 | Very low | 36.8 | Very low | 113 Ų | 113 | 155.4 Ų | 155.4 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | cis | -146.9 | 157.6 | -2.2 | 53.3 | 0 | 0 | 0 | 0 | 111 | | |
| 371 | R | 37.9 | Very low | 36.8 | Very low | 254 Ų | 254 | 155.5 Ų | 155.5 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | | | trans | -115.1 | 136.5 | 170.5 | -120.7 | -174.6 | -176.9 | -164.1 | 1.2 | 109.8 | | |
| 372 | S | 36.2 | Very low | 36.9 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | trans | -103.1 | 132.8 | -164.9 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 373 | R | 36.9 | Very low | 36.7 | Very low | 244 Ų | 244 | 152.8 Ų | 152.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | 55.7 | 121.1 | 145.5 | -63.1 | -179 | 173.8 | -156 | -1.8 | 120.4 | | |
| 374 | S | 36.3 | Very low | 37.1 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | -142.7 | 140 | 131.8 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 375 | P | 39.7 | Very low | 37.2 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | -111.7 | -170.1 | -178.9 | 40.2 | -32 | 0 | 0 | 0 | 113.7 | | |
| 376 | I | 40.5 | Very low | 37.5 | Very low | 154 Ų | 154 | 149 Ų | 149 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | 82.3 | 130.5 | 172.1 | -57.8 | 162.8 | 0 | 0 | 0 | 113.9 | | |
| 377 | L | 38.9 | Very low | 37.9 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | cis | -155.4 | 161.2 | -15.5 | -101.9 | 174.5 | 0 | 0 | 0 | 108.3 | | |
| 378 | P | 38.2 | Very low | 38.2 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | | | trans | -108.2 | 166.1 | -173.7 | 40.4 | -34.1 | 0 | 0 | 0 | 116 | | |
| 379 | L | 37.2 | Very low | 38.6 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | 144.5 | 143.3 | 163.2 | -82.5 | 158.8 | 0 | 0 | 0 | 107.9 | | |
| 380 | K | 40.9 | Very low | 38.9 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | | | cis | -141.7 | 171.3 | 13 | -113.2 | 171 | -176.3 | 176.3 | 0 | 111 | | |
| 381 | Q | 32.7 | Very low | 39.2 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -87.5 | 154.1 | -179.3 | -54.9 | 146.8 | -65 | 0 | 0 | 113.6 | | |
| 382 | T | 36 | Very low | 39.2 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -145.7 | 148.4 | 143.6 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 383 | T | 32.6 | Very low | 39.4 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | | | trans | -92.3 | 159.8 | -173.3 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 384 | V | 42.8 | Very low | 39.5 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | | -168.3 | 161.8 | 129.8 | 140.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 385 | S | 38.6 | Very low | 39.5 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -117.7 | 164.9 | -157.2 | 51.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 386 | P | 41 | Very low | 39.5 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | trans | -108.2 | 163.3 | -179.7 | 40.6 | -34.6 | 0 | 0 | 0 | 116.1 | | |
| 387 | P | 52.4 | Low | 39.4 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -102.6 | 152.8 | 158.6 | 37.1 | -29.6 | 0 | 0 | 0 | 112 | | |
| 388 | T | 41.6 | Very low | 39.5 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | cis | 96.7 | 97.6 | 16.8 | 69.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 389 | S | 44.8 | Very low | 39.3 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -174.6 | 131 | 148.4 | 34 | 0 | 0 | 0 | 0 | 109.6 | | |
| 390 | Y | 38.2 | Very low | 39.4 | Very low | 215 Ų | 215 | 141.3 Ų | 141.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | | 62.6 | 132.2 | 79.9 | -95.5 | -69.7 | 0 | 0 | 0 | 113.5 | | |
| 391 | C | 40.3 | Very low | 39 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | cis | -144.9 | -174.8 | 14.5 | -57.7 | 0 | 0 | 0 | 0 | 110 | | |
| 392 | D | 37.3 | Very low | 39.1 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | -173.5 | 171.1 | -46.1 | -179.2 | 36.1 | 0 | 0 | 0 | 109 | | |
| 393 | S | 39.8 | Very low | 39.2 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 56% | 0.559 | 77% | 0.766 | S | S | * | * | | | trans | 83.8 | 95.6 | 153.9 | -81.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 394 | N | 38.8 | Very low | 39.4 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | | 64.5 | 107.9 | 110.4 | -64.1 | -49 | 0 | 0 | 0 | 123.1 | | |
| 395 | R | 36.7 | Very low | 38.9 | Very low | 236 Ų | 236 | 138.8 Ų | 138.8 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | | | | -169.5 | 128.9 | 114.6 | -97.1 | -168.3 | 165.7 | 177.6 | -4.8 | 109.3 | | |
| 396 | V | 40.5 | Very low | 38.7 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | | | | 72 | 119.8 | 64.7 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 397 | T | 38.6 | Very low | 38.2 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | cis | -165.6 | 161.1 | 1.3 | 19.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 398 | H | 39.8 | Very low | 37.6 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | trans | 69.9 | 122.2 | 146.1 | -96.7 | -88.9 | 0 | 0 | 0 | 124.3 | | |
| 399 | L | 35.1 | Very low | 37 | Very low | 143 Ų | 143 | 143 Ų | 143 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | -64.6 | 158.3 | 144.2 | -86 | 101.9 | 0 | 0 | 0 | 111.3 | | |
| 400 | P | 39.1 | Very low | 36.6 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | | | | -154.5 | -173.3 | 78.6 | 43.3 | -22 | 0 | 0 | 0 | 118.7 | | |
| 401 | L | 33 | Very low | 36.3 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | trans | -76.9 | 155.2 | -174.1 | -131.3 | 70.6 | 0 | 0 | 0 | 115.1 | | |
| 402 | S | 33.3 | Very low | 36.2 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | 64.8 | 127.5 | 148.7 | -54.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 403 | K | 38.9 | Very low | 36.2 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | | 173.6 | 144.2 | 109.2 | -91.3 | 163.1 | -176.5 | 177.7 | 0 | 114.1 | | |
| 404 | H | 36.8 | Very low | 36.2 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | 45 | 120.1 | 146.5 | -73.7 | -111.5 | 0 | 0 | 0 | 122.5 | | |
| 405 | L | 32.9 | Very low | 36 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | | 28.4 | 125.1 | 121.1 | -62.1 | 169.3 | 0 | 0 | 0 | 119 | | |
| 406 | N | 33.7 | Very low | 36.3 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | | -155.7 | 163.4 | 117.1 | -118.8 | -24.1 | 0 | 0 | 0 | 114 | | |
| 407 | I | 30.9 | Very low | 36.2 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | -107 | 135.4 | -175.7 | -62.4 | 164.2 | 0 | 0 | 0 | 109.9 | | |
| 408 | T | 38.8 | Very low | 36.1 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -146.5 | 125.7 | 151.8 | 46.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 409 | S | 30.5 | Very low | 36.1 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -85.1 | 145.3 | 174.4 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 410 | W | 35.3 | Very low | 36.2 | Very low | 253 Ų | 253 | 141 Ų | 141 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | | | trans | -131.9 | 118.4 | 154.6 | -90.6 | 68 | 0 | 0 | 0 | 108.8 | | |
| 411 | E | 31.8 | Very low | 36.2 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -86.2 | 162 | 171.7 | -63.9 | 177.2 | 105.1 | 0 | 0 | 110.5 | | |
| 412 | G | 39.3 | Very low | 36.5 | Very low | 63 Ų | 63 | 137.5 Ų | 137.5 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | trans | -177.3 | 64.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 413 | N | 37.3 | Very low | 37.1 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | 65.7 | 155.9 | 153.7 | -56.8 | -46.2 | 0 | 0 | 0 | 118.1 | | |
| 414 | Q | 38.7 | Very low | 37.2 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | cis | -153.1 | 159.6 | -19.5 | -114 | 163.4 | 42.8 | 0 | 0 | 109.3 | | |
| 415 | T | 34.7 | Very low | 37.1 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -104.1 | -169.4 | 176.8 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 416 | P | 42.5 | Very low | 37.3 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | -134 | -170.6 | -20.8 | 25.4 | -1.4 | 0 | 0 | 0 | 114.1 | | |
| 417 | A | 38.1 | Very low | 37.4 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | 72.6 | 169 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 418 | I | 36.9 | Very low | 37.7 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | cis | -129.4 | 174.2 | 13.4 | -70.1 | 173.6 | 0 | 0 | 0 | 111.2 | | |
| 419 | A | 41.2 | Very low | 37.6 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | trans | -55.7 | -174.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 420 | D | 36.6 | Very low | 37.7 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | cis | -164.7 | 166.1 | 21.4 | -151.5 | -19.4 | 0 | 0 | 0 | 113.5 | | |
| 421 | S | 38.8 | Very low | 37.8 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | 62.8 | 156.4 | 159.3 | 74.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 422 | S | 39.2 | Very low | 37.9 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | cis | -159.7 | 122 | -21 | 46.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 423 | R | 45.2 | Very low | 37.7 | Very low | 239 Ų | 239 | 132 Ų | 132 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | | | | 83.7 | 162.9 | 93.5 | -118.8 | -161.9 | -179.9 | -162.5 | 1.4 | 113.6 | | |
| 424 | P | 42.6 | Very low | 37.6 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 56% | 0.558 | 73% | 0.731 | S | S | * | * | | | | -135 | -169.3 | -96.7 | 46.8 | -31.9 | 0 | 0 | 0 | 115.8 | | |
| 425 | N | 33.5 | Very low | 37.4 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | 10.3 | 149.2 | 141 | -49 | -8.7 | 0 | 0 | 0 | 119.6 | | |
| 426 | Q | 38 | Very low | 37.5 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | | | | -171.6 | 163.5 | 105.6 | -103.3 | 167.1 | 29.7 | 0 | 0 | 115.2 | | |
| 427 | S | 35.5 | Very low | 37.1 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | | | trans | 64.8 | 143.3 | 146.4 | 56.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 428 | E | 37.7 | Very low | 36.9 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | | | cis | -166.3 | 155.8 | -12 | -111.2 | 171.2 | -162.1 | 0 | 0 | 109.8 | | |
| 429 | L | 35.2 | Very low | 36.8 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | | | trans | 48.3 | 152.1 | 141.7 | -51.6 | 168.1 | 0 | 0 | 0 | 120 | | |
| 430 | Y | 33.6 | Very low | 36.3 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | | | cis | -157.1 | 147.5 | 13.7 | -149.1 | -140.6 | 0 | 0 | 0 | 110.6 | | |
| 431 | N | 36.4 | Very low | 36.6 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 55% | 0.551 | 72% | 0.717 | S | S | * | * | | | | 17.8 | 148.4 | 128.9 | -59 | -1.4 | 0 | 0 | 0 | 119.4 | | |
| 432 | N | 34.7 | Very low | 36.4 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | cis | -172.6 | 175.1 | 8.7 | -103.9 | 2 | 0 | 0 | 0 | 107.1 | | |
| 433 | S | 34.6 | Very low | 36.1 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 54% | 0.538 | 72% | 0.719 | S | S | . | * | | | cis | -171.7 | -176.1 | -13.4 | -90.3 | 0 | 0 | 0 | 0 | 108 | | |
| 434 | F | 36.2 | Very low | 35.5 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 84% | 0.842 | 71% | 0.711 | S | S | * | * | | | trans | 72.5 | 140.5 | 166.7 | -64.5 | -81.8 | 0 | 0 | 0 | 117.2 | | |
| 435 | N | 33.7 | Very low | 34.9 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | | | cis | -162.2 | 165.7 | -21.5 | -147.5 | 0.7 | 0 | 0 | 0 | 112.7 | | |
| 436 | L | 36.1 | Very low | 34.8 | Very low | 137 Ų | 137 | 134 Ų | 134 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | | | trans | 64.4 | 128.3 | 151.9 | -72.7 | 159.8 | 0 | 0 | 0 | 123.1 | | |
| 437 | S | 34.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | 66.1 | 145.5 | 143.3 | 59.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 438 | S | 35 | Very low | 34.3 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | cis | -168.3 | 142 | -20 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 439 | T | 35.4 | Very low | 34.1 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 87% | 0.865 | 73% | 0.731 | S | S | * | * | | | trans | 61.1 | 130.3 | 150.9 | 46.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 440 | S | 30 | Very low | 33.8 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | -91.1 | -150 | 159.5 | 53.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 441 | P | 42.9 | Very low | 33.8 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | cis | -143.3 | -167.8 | -3.5 | 41.1 | -19.6 | 0 | 0 | 0 | 116.5 | | |
| 442 | S | 34.3 | Very low | 33.5 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | 75.6 | 172.8 | 144.9 | -69.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 443 | N | 32.6 | Very low | 33.5 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | cis | -176.5 | 141.7 | -49.5 | -158.9 | -8 | 0 | 0 | 0 | 107.7 | | |
| 444 | R | 32.7 | Very low | 33.4 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | trans | 34.9 | 125.1 | 161.2 | -79.7 | 178.7 | -175 | -136 | 2.2 | 122.2 | | |
| 445 | Q | 31 | Very low | 33.3 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | | | | 95 | 132.7 | 124.3 | -83 | -176 | -6.6 | 0 | 0 | 123.2 | | |
| 446 | L | 30.7 | Very low | 33.2 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | 88.7 | 153.9 | 148 | -70 | 164.8 | 0 | 0 | 0 | 121.2 | | |
| 447 | L | 34.4 | Very low | 33 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | 77 | 96.8 | 168.8 | -66.6 | 130.7 | 0 | 0 | 0 | 119.3 | | |
| 448 | S | 28.5 | Very low | 32.9 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | -21.2 | 140 | 146.2 | 52.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 449 | G | 33.1 | Very low | 32.7 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -174.3 | 129.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 450 | S | 29.9 | Very low | 32.7 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -110.2 | 173.2 | 178.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 451 | Y | 32.4 | Very low | 32.9 | Very low | 219 Ų | 219 | 135 Ų | 135 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | | | trans | 103.4 | 95.8 | 165.9 | -64 | -75.2 | 0 | 0 | 0 | 119.1 | | |
| 452 | D | 31.4 | Very low | 32.6 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | | | | 66.7 | 121.9 | 113.9 | -111 | 25.9 | 0 | 0 | 0 | 122.5 | | |
| 453 | R | 34.8 | Very low | 32.4 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 75% | 0.751 | 76% | 0.761 | S | S | * | * | | | | 100.4 | 132.9 | 125.1 | -102.1 | -170.1 | -93.8 | -165.5 | -7.6 | 123.5 | | |
| 454 | N | 32.5 | Very low | 32.5 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | | | trans | 97.5 | 119.6 | 138.9 | -69.3 | -12.3 | 0 | 0 | 0 | 121.8 | | |
| 455 | L | 33.2 | Very low | 32.8 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | 50.8 | 144.9 | 131.2 | -78.9 | 81.1 | 0 | 0 | 0 | 119.9 | | |
| 456 | S | 32.6 | Very low | 32.9 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | cis | -172.9 | 170.4 | 13 | 38.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 457 | S | 31.7 | Very low | 33.4 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | 64.6 | 145.8 | 163.2 | 58.7 | 0 | 0 | 0 | 0 | 117 | | |
| 458 | C | 31.4 | Very low | 33.2 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | | | cis | -137.1 | 175.3 | 32.7 | -71.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 459 | S | 31.9 | Very low | 33.4 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | trans | -120.6 | 159.6 | -177.2 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 460 | N | 34.2 | Very low | 33.2 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | | 161.4 | 135.2 | 125 | -82.7 | -18.8 | 0 | 0 | 0 | 115.7 | | |
| 461 | L | 35.9 | Very low | 33.3 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | 64.3 | 142.6 | 143.9 | -60.2 | 166.2 | 0 | 0 | 0 | 119.9 | | |
| 462 | K | 35.3 | Very low | 33.1 | Very low | 193 Ų | 193 | 138 Ų | 138 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | | | cis | -159.6 | 158.2 | -16 | -171.6 | 164.1 | -178.7 | 174.6 | 0 | 109.8 | | |
| 463 | C | 30.5 | Very low | 33 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -97.4 | 171.3 | -167.4 | -42.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 464 | K | 35.2 | Very low | 32.7 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | | | trans | -141.2 | 115.8 | 147.4 | -84.7 | -163.1 | 149.4 | -111.5 | 0 | 109.3 | | |
| 465 | D | 37.6 | Very low | 32.5 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 61% | 0.61 | 75% | 0.752 | S | S | * | * | | | | 89.7 | 76.5 | 102.7 | -58 | -12.7 | 0 | 0 | 0 | 110.1 | | |
| 466 | D | 33.7 | Very low | 32.6 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | | 73.3 | 156.7 | 78.8 | -89.3 | -3.5 | 0 | 0 | 0 | 116 | | |
| 467 | P | 41 | Very low | 32.5 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | cis | -127.3 | -149.2 | -19.2 | 37 | -15.9 | 0 | 0 | 0 | 109.7 | | |
| 468 | Y | 31.4 | Very low | 32.5 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | | | cis | -156.7 | 127.7 | -7.6 | -150 | -63.6 | 0 | 0 | 0 | 108.8 | | |
| 469 | V | 31 | Very low | 32.3 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | | | trans | -147.2 | 132.1 | 169.2 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 470 | T | 30.1 | Very low | 32.4 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | | | trans | 58.7 | 123.5 | 163.5 | -59.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 471 | L | 30.9 | Very low | 32.2 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | | | trans | -137.3 | 134.4 | 141.1 | -84.6 | 178.5 | 0 | 0 | 0 | 109.9 | | |
| 472 | I | 29.9 | Very low | 32 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 64% | 0.641 | 74% | 0.737 | S | S | * | * | | | trans | -144.5 | 135.4 | 174 | -82.4 | -176.5 | 0 | 0 | 0 | 107.8 | | |
| 473 | R | 28.1 | Very low | 31.7 | Very low | 216 Ų | 216 | 139.4 Ų | 139.4 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | | | trans | 72.7 | 146.9 | -175.1 | -61.1 | 167.2 | -152.9 | 118.5 | 3.3 | 112.4 | | |
| 474 | D | 29 | Very low | 31.5 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | | | cis | -146.6 | 150.5 | 43.7 | -109.1 | -40 | 0 | 0 | 0 | 118.1 | | |
| 475 | T | 29 | Very low | 31.2 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | | | trans | 56.1 | 129.4 | 150.1 | 64.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 476 | Q | 34.2 | Very low | 30.8 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | | 154.8 | 115.7 | 109.1 | -78.1 | -151 | 32 | 0 | 0 | 114.8 | | |
| 477 | N | 30.4 | Very low | 30.8 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | trans | 64 | 137.6 | 131.1 | -58.7 | -27.3 | 0 | 0 | 0 | 124.3 | | |
| 478 | S | 31.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | trans | 69.8 | 100 | 151.5 | -162.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 479 | S | 28.3 | Very low | 30.8 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | | | | 88.8 | 133.7 | 60.5 | -68.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 480 | H | 33.9 | Very low | 30.7 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | | | trans | 69.6 | 145.8 | 174.7 | -56 | -62.7 | 0 | 0 | 0 | 115.7 | | |
| 481 | N | 30.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | | | cis | -154.8 | -175.3 | -7.6 | -115.3 | -1.1 | 0 | 0 | 0 | 110.8 | | |
| 482 | L | 30.1 | Very low | 31.1 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | | | trans | -25.3 | 157.6 | 162.8 | -64.2 | 78.2 | 0 | 0 | 0 | 116.2 | | |
| 483 | Q | 30.2 | Very low | 31.2 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | | | cis | -166.3 | 144.5 | 33.5 | -139.1 | 143.6 | -19.7 | 0 | 0 | 113.7 | | |
| 484 | T | 25.3 | Very low | 31.2 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | 28.1 | 155.2 | 142.6 | 62.3 | 0 | 0 | 0 | 0 | 124.6 | | |
| 485 | S | 30.1 | Very low | 31.2 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | | | trans | 79.7 | 146.9 | 153.2 | 79.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 486 | S | 29.3 | Very low | 31.1 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | cis | -167.4 | -169.7 | -15.9 | 46.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 487 | S | 33.8 | Very low | 31 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | | | trans | 65.2 | 102.3 | 163.6 | 54.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 488 | T | 33.9 | Very low | 31.1 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | | | trans | -79.8 | 157.4 | 131.5 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 489 | P | 37.3 | Very low | 31.1 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | | | | -127 | 148 | 95.3 | 4.5 | 18.3 | 0 | 0 | 0 | 111.4 | | |
| 490 | S | 29.7 | Very low | 31.1 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | | 84.6 | 158.7 | 55.8 | 90.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 491 | M | 33.5 | Very low | 31 | Very low | 168 Ų | 168 | 135 Ų | 135 | 83% | 0.828 | 73% | 0.732 | S | S | * | * | | | trans | 78.1 | 128.4 | -163.7 | -46.9 | -85.7 | -78.7 | 0 | 0 | 112.6 | | |
| 492 | Q | 35.4 | Very low | 30.9 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 60% | 0.603 | 74% | 0.735 | S | S | * | * | | | cis | -153.3 | 150.7 | -8.3 | -164.4 | 66.8 | 0.9 | 0 | 0 | 110.4 | | |
| 493 | E | 30.9 | Very low | 30.8 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | | | trans | 12.4 | 130.7 | 162.3 | -63.7 | 160.6 | 133.6 | 0 | 0 | 120.3 | F495 | E493-F495 HydrophobicContact CG-CE2 4.49Š|
| 494 | R | 28.7 | Very low | 30.7 | Very low | 216 Ų | 216 | 135.1 Ų | 135.1 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | | | | 57.4 | 142.3 | 58.7 | -56.5 | -172.1 | -177.5 | -175.1 | 2.5 | 112.2 | | |
| 495 | F | 30.5 | Very low | 31 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | | | cis | -153 | 150.3 | 39.2 | -85.6 | -86.4 | 0 | 0 | 0 | 110.1 | E493 | E493-F495 HydrophobicContact CG-CE2 4.49Š|
| 496 | S | 26.9 | Very low | 31 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | | | | 51.6 | 145.3 | 93.6 | 101.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 497 | H | 30.5 | Very low | 31.2 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | | | cis | -162.7 | 164.5 | 35.5 | -130 | 95.8 | 0 | 0 | 0 | 111.2 | | |
| 498 | F | 33.3 | Very low | 31.4 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | | | trans | -70.6 | 154 | 151.6 | -97.1 | -96.1 | 0 | 0 | 0 | 109 | | |
| 499 | P | 31.1 | Very low | 31.5 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | | | | -146.8 | 165.9 | 111.3 | 37.1 | -22.3 | 0 | 0 | 0 | 115.4 | | |
| 500 | V | 27.7 | Very low | 31.2 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | | | trans | -63.4 | 143.5 | 165.2 | 174 | 0 | 0 | 0 | 0 | 110.5 | | |
| 501 | I | 32.5 | Very low | 31.1 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | | | trans | -120.5 | 130 | 157.3 | -58.5 | -179.9 | 0 | 0 | 0 | 107.5 | | |
| 502 | H | 27.4 | Very low | 31.1 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | -109.6 | 170.2 | 175.5 | -170.8 | -93.9 | 0 | 0 | 0 | 108.3 | | |
| 503 | E | 28.9 | Very low | 31 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | 70.4 | 154 | 176 | -61.3 | -142.9 | 84.7 | 0 | 0 | 116.7 | | |
| 504 | S | 27.8 | Very low | 31.1 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | | | cis | -168.5 | -168.2 | -20.1 | -96.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 505 | I | 31.7 | Very low | 31.2 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | 78.4 | 96.3 | 168.2 | -47.6 | 164.4 | 0 | 0 | 0 | 113.1 | | |
| 506 | A | 31.2 | Very low | 31.4 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | cis | 93 | 106.7 | 39.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 507 | S | 32.9 | Very low | 31.6 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -177 | 137.4 | 164.4 | -85.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 508 | L | 38.2 | Very low | 31.8 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | cis | -150.1 | 151 | 0.6 | -94.9 | 151.7 | 0 | 0 | 0 | 110.8 | | |
| 509 | N | 35.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | 60.2 | 95.6 | 147.3 | -60.3 | -14 | 0 | 0 | 0 | 122.2 | | |
| 510 | S | 30.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | | 55.2 | 107.2 | 115.6 | -57.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 511 | C | 29.3 | Very low | 31.8 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | | | | -146.9 | 133.7 | 120.7 | -145.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 512 | K | 31.9 | Very low | 31.8 | Very low | 194 Ų | 194 | 148 Ų | 148 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -117 | 128.7 | 178 | -74.3 | 179.1 | 175.7 | 178.2 | 0 | 109.7 | | |
| 513 | I | 35 | Very low | 32.1 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | | | trans | -134.1 | 139.2 | 143.9 | -64.5 | -171.1 | 0 | 0 | 0 | 109.5 | | |
| 514 | Q | 32.5 | Very low | 32.6 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | trans | -50.1 | 145.9 | -171.6 | -144.6 | 72.8 | -1.2 | 0 | 0 | 117.1 | | |
| 515 | Q | 31.1 | Very low | 33.4 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -90.2 | 152.1 | 155.9 | -65.1 | 176 | -7.4 | 0 | 0 | 110.8 | | |
| 516 | Q | 33.6 | Very low | 33.4 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -138.5 | 147 | 153 | -81.4 | -165.7 | -18.2 | 0 | 0 | 111.4 | | |
| 517 | P | 31.3 | Very low | 33.4 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -85.6 | 168.3 | -174.1 | 35.9 | -37.1 | 0 | 0 | 0 | 113.4 | | |
| 518 | P | 34.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | trans | -82 | 155.1 | -164.9 | 32.7 | -37.3 | 0 | 0 | 0 | 114.8 | | |
| 519 | Q | 35.4 | Very low | 32.8 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | trans | -131.6 | 151.1 | 160 | -69.3 | -160.8 | -6.9 | 0 | 0 | 111.2 | | |
| 520 | Q | 26.8 | Very low | 32.6 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -91.5 | 146.6 | 179.8 | -54.6 | 172.8 | -4 | 0 | 0 | 110.3 | | |
| 521 | L | 31.4 | Very low | 32.6 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -167.8 | 139.4 | 132.7 | -129.3 | 60.2 | 0 | 0 | 0 | 115.5 | | |
| 522 | Q | 32.5 | Very low | 32.7 | Very low | 149 Ų | 149 | 151 Ų | 151 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | | | trans | 63.7 | 98.7 | 143 | -86.9 | 162.9 | -15.4 | 0 | 0 | 123.9 | | |
| 523 | N | 32.3 | Very low | 32.5 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | | 83.8 | 138.2 | 118.4 | -66.2 | 10.3 | 0 | 0 | 0 | 122.1 | | |
| 524 | P | 40.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 145 Ų | 145 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | | | trans | -112.8 | 178.7 | 176.6 | 44.1 | -36.2 | 0 | 0 | 0 | 114.2 | | |
| 525 | P | 44.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -101.1 | 128.2 | 138.1 | 33.7 | -24.9 | 0 | 0 | 0 | 109.5 | | |
| 526 | N | 30.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | cis | 61.8 | 113.8 | 48.7 | -76 | -0.2 | 0 | 0 | 0 | 115.8 | | |
| 527 | I | 31.2 | Very low | 31.6 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | | | trans | 153.8 | 98.9 | 141.5 | -81.4 | 159.5 | 0 | 0 | 0 | 106.9 | | |
| 528 | L | 31.6 | Very low | 31.3 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | | | | 63.6 | 127.4 | 89.8 | -83.3 | 74.7 | 0 | 0 | 0 | 111.8 | | |
| 529 | D | 28.6 | Very low | 31.5 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | cis | -149.3 | -161.4 | -7 | -77.9 | -47.5 | 0 | 0 | 0 | 106.9 | | |
| 530 | D | 29.9 | Very low | 31.2 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | | | cis | -161 | 166.9 | 11.1 | -156.7 | 4.1 | 0 | 0 | 0 | 112.4 | | |
| 531 | E | 31.5 | Very low | 31.4 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | 37.3 | 136.5 | 161.6 | -62.3 | -121.6 | 99 | 0 | 0 | 124.7 | | |
| 532 | M | 30.6 | Very low | 31.4 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | | | trans | -117 | 153.8 | 162.5 | -52.1 | 172.6 | -73.3 | 0 | 0 | 110.2 | | |
| 533 | C | 28 | Very low | 31.1 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | | | trans | 177 | 139.9 | 136.9 | -92.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 534 | V | 27.5 | Very low | 31 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | | | cis | 87.2 | 96.8 | 32.6 | -178.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 535 | S | 28 | Very low | 30.4 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | trans | 176.9 | 127.4 | 136.8 | 35.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 536 | N | 26.9 | Very low | 29.7 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | | | | 64.7 | 92 | 58.9 | -72.6 | -16.9 | 0 | 0 | 0 | 114.4 | | |
| 537 | F | 30.2 | Very low | 29.8 | Very low | 221 Ų | 221 | 138 Ų | 138 | 97% | 0.969 | 74% | 0.739 | S | S | * | * | | | trans | -146.9 | 142 | 134.8 | -104.2 | -71.9 | 0 | 0 | 0 | 111.3 | | |
| 538 | S | 25.9 | Very low | 29.7 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | -166.9 | 163.6 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 539 | P | 38.1 | Very low | 29.7 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 60% | 0.597 | 74% | 0.738 | S | S | * | * | | | | -109.7 | -173.3 | -53.4 | 37.4 | -25.8 | 0 | 0 | 0 | 109.6 | | |
| 540 | F | 29.3 | Very low | 29.9 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 79% | 0.789 | 74% | 0.738 | S | S | * | * | | | | 159.8 | 155.5 | 125 | -93.9 | -65.1 | 0 | 0 | 0 | 115.3 | | |
| 541 | H | 30.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | | | trans | 67.4 | 123.1 | 148.4 | -94.2 | -89.6 | 0 | 0 | 0 | 123.5 | | |
| 542 | F | 31 | Very low | 30.3 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | 76.3 | 102.9 | 136.4 | -96.8 | -138.1 | 0 | 0 | 0 | 122 | | |
| 543 | M | 27.3 | Very low | 30.6 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | | | | 50.1 | 122.9 | 110.2 | -67.8 | -174.2 | 67 | 0 | 0 | 120.5 | | |
| 544 | S | 28.5 | Very low | 30.9 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | | | trans | 83.9 | 116.1 | 132 | -73.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 545 | N | 28.8 | Very low | 31.3 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | trans | 83.9 | 109 | 131.1 | -59.6 | 3.5 | 0 | 0 | 0 | 119.7 | | |
| 546 | T | 30.2 | Very low | 31.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | | | | 78 | 154.4 | 129.3 | 56.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 547 | L | 31.9 | Very low | 32.1 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | | | trans | 79.9 | 117.4 | 167.1 | -71.5 | 163.9 | 0 | 0 | 0 | 118.3 | | |
| 548 | N | 28.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | | | trans | -32.4 | 156.3 | 144.4 | -36.2 | -24.3 | 0 | 0 | 0 | 111.6 | | |
| 549 | D | 31.9 | Very low | 32.7 | Very low | 137 Ų | 137 | 128 Ų | 128 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | | | | -173.1 | 161.1 | 74.5 | -114.7 | -27 | 0 | 0 | 0 | 115.8 | | |
| 550 | V | 33.2 | Very low | 32.4 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | | | trans | 76.9 | 154.6 | 143.3 | 166.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 551 | I | 35 | Very low | 32.4 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | | | trans | 88.7 | 86.7 | 175.6 | -43.7 | -162 | 0 | 0 | 0 | 118.1 | | |
| 552 | N | 35 | Very low | 32.7 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | | | | 54.3 | 139.2 | 121 | -50.7 | -8.5 | 0 | 0 | 0 | 119.8 | | |
| 553 | N | 36.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | | | cis | -168.6 | 158.4 | 39.1 | -123.7 | -16.4 | 0 | 0 | 0 | 112.3 | | |
| 554 | N | 34.8 | Very low | 32.9 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | | | trans | 64.7 | 141.4 | 159.7 | -55.7 | -21.4 | 0 | 0 | 0 | 119.1 | | |
| 555 | S | 36.6 | Very low | 33.3 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | cis | -165.5 | 148.6 | -13.6 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 556 | S | 34.7 | Very low | 33.6 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | | | trans | 62.6 | 118 | 147.1 | 59.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 557 | I | 35.3 | Very low | 33.8 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | | | | 82.1 | 134.3 | 123.6 | -68.9 | 172.8 | 0 | 0 | 0 | 118.3 | | |
| 558 | S | 34.1 | Very low | 33.9 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | | | cis | -165.9 | 128 | -16.6 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 559 | S | 34.6 | Very low | 34.4 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | | 87.6 | 145.3 | 106.2 | 71.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 560 | N | 32.7 | Very low | 34.6 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | trans | 73.4 | 111.7 | 167.7 | -51.4 | -12.7 | 0 | 0 | 0 | 115.5 | | |
| 561 | T | 30.2 | Very low | 34.6 | Very low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | | | cis | 78.3 | 101.3 | 28.1 | 83.6 | 0 | 0 | 0 | 0 | 117 | | |
| 562 | Q | 35.3 | Very low | 34.7 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | | | | 171.5 | 118.6 | 129.6 | -91.4 | 165.8 | 18.5 | 0 | 0 | 106 | | |
| 563 | N | 27.9 | Very low | 34.5 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | | | cis | 77.9 | 145 | 48.2 | -163.3 | 22.9 | 0 | 0 | 0 | 112.8 | | |
| 564 | L | 35.6 | Very low | 34.5 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | | | trans | 96.6 | 135 | -179.7 | -62.5 | 165.8 | 0 | 0 | 0 | 117.9 | | |
| 565 | N | 35.8 | Very low | 34.2 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | | | trans | 68.4 | 145.1 | 153.9 | -63.4 | 30.6 | 0 | 0 | 0 | 118.9 | | |
| 566 | D | 35.7 | Very low | 34.4 | Very low | 115 Ų | 115 | 133 Ų | 133 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | | | cis | -159.9 | 158.5 | -9.5 | -114.3 | -25.3 | 0 | 0 | 0 | 113.7 | | |
| 567 | N | 35.3 | Very low | 34.3 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | | | trans | 29.8 | 106.2 | 142.1 | -60.1 | -38.9 | 0 | 0 | 0 | 120.3 | | |
| 568 | T | 34.4 | Very low | 34.2 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | | | | 96.4 | 161.1 | 87.4 | 63.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 569 | N | 37.4 | Very low | 34.2 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | | | trans | 75.8 | 129.5 | 157.3 | -67.3 | -40.3 | 0 | 0 | 0 | 116.8 | | |
| 570 | N | 35.7 | Very low | 34.2 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | | 69.4 | 131.8 | 57.9 | -64.7 | -36.4 | 0 | 0 | 0 | 111.6 | | |
| 571 | N | 33.5 | Very low | 34.3 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | | | cis | -162.9 | -168.9 | -9.7 | -164.8 | 13.1 | 0 | 0 | 0 | 108.2 | | |
| 572 | E | 37 | Very low | 34.4 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | | | trans | 64.6 | 104.5 | 149.1 | -78.3 | 157.7 | -125 | 0 | 0 | 121.2 | | |
| 573 | N | 31.4 | Very low | 34.3 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | | | | 29.2 | 108.3 | 116.3 | -61.1 | -34.4 | 0 | 0 | 0 | 119.3 | | |
| 574 | R | 36.5 | Very low | 34.7 | Very low | 251 Ų | 251 | 134.8 Ų | 134.8 | 95% | 0.947 | 71% | 0.71 | S | S | * | * | | | | -163.2 | 124.3 | 128.3 | -110.3 | 164.2 | -167.1 | -168.9 | 4.5 | 114 | | |
| 575 | S | 29.4 | Very low | 34.6 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | | | trans | -86.4 | -177.4 | 152.6 | -38.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 576 | P | 40.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | | | cis | -142.5 | 176.7 | 0.1 | 42 | -23.8 | 0 | 0 | 0 | 117.2 | | |
| 577 | K | 32.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | | | trans | 68.7 | 149.5 | 137.5 | -89 | 169.8 | 169 | -178.4 | 0 | 122.3 | | |
| 578 | F | 32.2 | Very low | 34.2 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | | | trans | 70.3 | 149.3 | 150 | -69.7 | -40.2 | 0 | 0 | 0 | 117.7 | | |
| 579 | T | 34 | Very low | 34.1 | Very low | 94 Ų | 94 | 135 Ų | 135 | 58% | 0.577 | 73% | 0.731 | S | S | * | * | | | cis | -158.5 | 143.9 | 0.4 | 3.7 | 0 | 0 | 0 | 0 | 111 | | |
| 580 | H | 35.4 | Very low | 33.9 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | | | trans | 58.2 | 171.8 | 152.7 | -59.7 | -44.8 | 0 | 0 | 0 | 116.9 | | |
| 581 | T | 34 | Very low | 33.7 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | cis | -164.4 | 155.3 | -5.8 | 11.3 | 0 | 0 | 0 | 0 | 103.7 | | |
| 582 | T | 32.7 | Very low | 33.9 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | cis | 170.3 | 166.8 | -2.6 | -91.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 583 | T | 33.5 | Very low | 33.8 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | | | trans | 67.8 | 117.8 | 162.3 | 42 | 0 | 0 | 0 | 0 | 122.6 | | |
| 584 | N | 35.8 | Very low | 34.2 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | | | | 97.7 | 109.8 | 119 | -69.9 | -0.1 | 0 | 0 | 0 | 123.4 | | |
| 585 | N | 34 | Very low | 34.3 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | | | | 57.1 | 114.9 | 117.5 | -52.1 | -9.7 | 0 | 0 | 0 | 120.4 | | |
| 586 | G | 33.2 | Very low | 34.9 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | | | | 134.4 | 137.6 | 90.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 587 | N | 34.1 | Very low | 34.8 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | | | trans | 72.9 | 106.6 | 142.8 | -57.7 | -11.8 | 0 | 0 | 0 | 120.8 | | |
| 588 | N | 31.5 | Very low | 35.1 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | | | | 67.5 | 130.2 | 117.7 | -55.9 | -14.3 | 0 | 0 | 0 | 121.6 | | |
| 589 | S | 32.1 | Very low | 35.1 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | | | trans | 73.4 | 156.4 | 138.7 | 81.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 590 | S | 32.6 | Very low | 35.5 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | | | cis | -169.8 | 173.9 | -25.8 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 591 | N | 33.1 | Very low | 35.3 | Very low | 119 Ų | 119 | 123 Ų | 123 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | | | trans | 71.6 | 122 | 149.7 | -76.7 | -59.3 | 0 | 0 | 0 | 120.5 | | |
| 592 | K | 36.7 | Very low | 35.2 | Very low | 175 Ų | 175 | 124 Ų | 124 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | | | trans | 75.7 | 152.9 | 130.5 | -64.2 | 179.1 | -176.3 | 178.2 | 0 | 117.3 | | |
| 593 | N | 34.8 | Very low | 35.1 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 61% | 0.61 | 71% | 0.711 | S | S | * | * | | | cis | -157.8 | 167 | 4.9 | -133.4 | 36.5 | 0 | 0 | 0 | 111.7 | | |
| 594 | D | 39.5 | Very low | 35 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | | | trans | 66.2 | 149.4 | 151.8 | -56.9 | -34.6 | 0 | 0 | 0 | 119.7 | | |
| 595 | S | 38.7 | Very low | 34.7 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | | | cis | -162.3 | 156.5 | -4.9 | -121.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 596 | I | 42.1 | Very low | 34.4 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | 75.6 | 112.5 | 142.4 | -68.3 | 164.9 | 0 | 0 | 0 | 122.4 | | |
| 597 | N | 37.6 | Very low | 34.2 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | | | trans | 47.6 | 126.4 | 137 | -52 | -3.7 | 0 | 0 | 0 | 121.5 | | |
| 598 | N | 39.7 | Very low | 34 | Very low | 160 Ų | 160 | 122.1 Ų | 122.1 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | | | | -161.9 | 165.9 | 58 | -89.7 | -62.9 | 0 | 0 | 0 | 113.3 | | |
| 599 | N | 33.1 | Very low | 33.9 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | -126 | 153.9 | 178.9 | -138.6 | -13.4 | 0 | 0 | 0 | 109.1 | | |
| 600 | P | 42.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | | | | -145.3 | 149.9 | 82.9 | 32.5 | -13 | 0 | 0 | 0 | 117.4 | | |
| 601 | T | 30.9 | Very low | 33.5 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | trans | 23.2 | 134.6 | 131.1 | 0.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 602 | I | 31.1 | Very low | 33.1 | Very low | 141 Ų | 141 | 125 Ų | 125 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | | | cis | -147.9 | 140.8 | 38.4 | -61.4 | 176.1 | 0 | 0 | 0 | 112.3 | | |
| 603 | T | 30.8 | Very low | 32.7 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | trans | 46.3 | 112.4 | 165.1 | 58 | 0 | 0 | 0 | 0 | 122 | | |
| 604 | S | 31.6 | Very low | 32.3 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | | 20.8 | 142.9 | 127.9 | 59.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 605 | G | 29.3 | Very low | 31.7 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | cis | 167.8 | 127.9 | 1.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 606 | V | 28.3 | Very low | 31.3 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | | | trans | -57.9 | 151.4 | 177.2 | -77 | 0 | 0 | 0 | 0 | 114.6 | | |
| 607 | G | 27.6 | Very low | 30.7 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -158.7 | 23 | -170.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 608 | S | 29.8 | Very low | 30.3 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | 67.6 | 143.1 | 160.9 | -59.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 609 | I | 29.7 | Very low | 29.9 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -80.4 | 137 | 177.1 | -66.1 | 157.2 | 0 | 0 | 0 | 110.7 | | |
| 610 | P | 29.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | | -139.6 | 141.8 | 124.6 | 35.6 | -22.6 | 0 | 0 | 0 | 115.8 | | |
| 611 | S | 27.3 | Very low | 28.7 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | | | trans | -7.6 | 140 | 159.1 | 59.7 | 0 | 0 | 0 | 0 | 122 | | |
| 612 | N | 25.4 | Very low | 28.6 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | trans | 48.1 | 106.6 | 135.3 | -60.8 | -27.3 | 0 | 0 | 0 | 119.5 | | |
| 613 | Q | 27.6 | Very low | 28.4 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | | -175.3 | 138.5 | 92 | -96.4 | -176.1 | 61.8 | 0 | 0 | 114.2 | S615 | Q613-S615 PolarHBondContact O-N 3.33Š|
| 614 | R | 26.5 | Very low | 28.3 | Very low | 239 Ų | 239 | 144.4 Ų | 144.4 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -40.5 | 124.5 | 169.1 | 168.9 | -166.1 | -86.4 | -164.3 | -9 | 113.7 | | |
| 615 | S | 26.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -147.9 | 100 | 154.5 | -168.6 | 0 | 0 | 0 | 0 | 110.9 | Q613 | Q613-S615 PolarHBondContact O-N 3.33Š|
| 616 | F | 30.4 | Very low | 28.7 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | -107.6 | 122.1 | 161.9 | -85 | -92.5 | 0 | 0 | 0 | 107.1 | | |
| 617 | K | 29.2 | Very low | 29.1 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | | | trans | -95.5 | 135.1 | 152.6 | -78.1 | -172.1 | 173.7 | -173.5 | 0 | 107.5 | | |
| 618 | P | 29.8 | Very low | 29.5 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 63% | 0.63 | 74% | 0.743 | S | S | * | * | | | | -124.6 | -177 | 126.8 | 38.8 | -34.2 | 0 | 0 | 0 | 111.5 | | |
| 619 | D | 30.4 | Very low | 29.8 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | | | trans | 72.8 | 122.9 | 157.4 | -50.2 | -34.6 | 0 | 0 | 0 | 120.3 | | |
| 620 | Q | 26.1 | Very low | 30.1 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | | | trans | -88.7 | -179.5 | 164.5 | -64.1 | 167.6 | -27.8 | 0 | 0 | 109 | | |
| 621 | F | 24.8 | Very low | 30.3 | Very low | 190 Ų | 190 | 130.8 Ų | 130.8 | 83% | 0.833 | 68% | 0.68 | S | S | * | * | | | trans | 66.5 | 117.1 | 176.5 | -63.4 | -91.2 | 0 | 0 | 0 | 116.6 | | |
| 622 | I | 28.7 | Very low | 30.6 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 88% | 0.877 | 67% | 0.666 | S | S | * | * | | | | -173.6 | 135.5 | 124.6 | -94 | 154.5 | 0 | 0 | 0 | 106.8 | | |
| 623 | E | 27.6 | Very low | 31 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | | | trans | -67 | 144.8 | -174.4 | -69.4 | 146.1 | 89 | 0 | 0 | 113.7 | V625 | E623-V625 PolarHBondContact O-N 2.97Š|
| 624 | S | 28.4 | Very low | 31.3 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | | | trans | -97.8 | 81.3 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 112 | | |
| 625 | V | 35.1 | Very low | 31.6 | Very low | 74 Ų | 74 | 111 Ų | 111 | 45% | 0.448 | 59% | 0.59 | S | S | . | * | | | trans | -48.6 | 134.7 | 173.3 | 180 | 0 | 0 | 0 | 0 | 111.3 | K10 E623 | K10-V625 PolarHBondContact NZ-O 3.47Å; E623-V625 PolarHBondContact O-N 2.97Å |
| 626 | P | 33.1 | Very low | 31.9 | Very low | 99 Ų | 99 | 110.1 Ų | 110.1 | 64% | 0.643 | 58% | 0.584 | S | S | * | * | | | trans | -64 | 174.1 | -175 | 24.6 | -34.8 | 0 | 0 | 0 | 113.9 | | |
| 627 | S | 36.8 | Very low | 32.1 | Very low | 79 Ų | 79 | 104.7 Ų | 104.7 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | | | trans | -104.2 | 145.4 | 178.7 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | E629 | S627-E629 PolarHBondContact O-N 3.33Š|
| 628 | P | 36.9 | Very low | 32.3 | Very low | 64 Ų | 64 | 102.3 Ų | 102.3 | 42% | 0.416 | 56% | 0.561 | S | S | . | * | | | trans | -67.7 | 125.8 | -178.7 | 27.9 | -35.5 | 0 | 0 | 0 | 111.6 | F48 | F48-P628 HydrophobicContact CB-CB 4.43Å; F48-P628 WeakPolarHBondContact O-CB 3.49Å; F48-P628 WeakPolarHBondContact O-CG 3.24Å |
| 629 | E | 36.8 | Very low | 32.5 | Very low | 87 Ų | 87 | 103.3 Ų | 103.3 | 41% | 0.407 | 56% | 0.561 | S | S | . | * | | | trans | -67.9 | 160.8 | 164.6 | -68.9 | -115.6 | 130.9 | 0 | 0 | 110.9 | N81 S627 | N81-E629 WeakPolarHBondContact CB-OE1 3.5Å; N81-E629 PolarHBondContact ND2-OE1 2.69Å; S627-E629 PolarHBondContact O-N 3.33Å |
| 630 | L | 34.7 | Very low | 32.7 | Very low | 76 Ų | 76 | 102.6 Ų | 102.6 | 40% | 0.398 | 56% | 0.557 | S | S | . | * | | | trans | -139.2 | 90.2 | 175.4 | -67.9 | 178.2 | 0 | 0 | 0 | 110.5 | L28 L45 I46 V47 | L28-L630 HydrophobicContact CD2-CD1 3.75Å; L45-L630 HydrophobicContact CD1-CD2 4.23Å; I46-L630 WeakPolarHBondContact O-CD2 3.4Å; V47-L630 HydrophobicContact CB-CD2 4.15Å; V47-L630 HydrophobicContact CG1-CD2 4.18Å; V47-L630 HydrophobicContact CG2-CD2 3.75Å |
| 631 | L | 34.2 | Very low | 33 | Very low | 59 Ų | 59 | 100 Ų | 100 | 31% | 0.309 | 56% | 0.557 | S | S | . | * | | | trans | -69 | 140.2 | 163.1 | -76.9 | 165.6 | 0 | 0 | 0 | 109.6 | K79 F633 | K79-L631 WeakPolarHBondContact O-CD2 3.27Å; L631-F633 HydrophobicContact CB-CE2 4.07Å; L631-F633 HydrophobicContact CD1-CE2 4.2Å; L631-F633 HydrophobicContact CD1-CZ 4.48Å; L631-F633 HydrophobicContact CD2-CE2 4.3Å; L631-F633 HydrophobicContact CD2-CZ 4.1Å; L631-F633 HydrophobicContact CG-CE2 4.43Å |
| 632 | L | 33.2 | Very low | 33.6 | Very low | 64 Ų | 64 | 98.2 Ų | 98.2 | 34% | 0.335 | 56% | 0.557 | S | S | . | * | | | trans | -138.8 | 100.7 | 176.5 | -174.6 | 137 | 0 | 0 | 0 | 108.5 | I43 L634 | I43-L632 HydrophobicContact CG2-CD1 4.43Å; I43-L632 HydrophobicContact CG2-CG 4.3Å; L632-L634 HydrophobicContact CD2-CG 4.35Å |
| 633 | F | 35.1 | Very low | 33.8 | Very low | 58 Ų | 58 | 96.6 Ų | 96.6 | 25% | 0.254 | 55% | 0.55 | S | S | . | . | | | trans | -89.7 | 143.6 | 177.7 | -69.2 | -71.1 | 0 | 0 | 0 | 111.2 | Y69 P75 E77 L631 | Y69-F633 HydrophobicContact CD2-CD2 4.12Å; Y69-F633 HydrophobicContact CD2-CE2 4.22Å; Y69-F633 AromaticContact CE2-CD2 3.71Å; Y69-F633 HydrophobicContact CE2-CD2 3.71Å; Y69-F633 HydrophobicContact CE2-CE1 4.42Å; Y69-F633 AromaticContact CE2-CE2 3.36Å; Y69-F633 HydrophobicContact CE2-CE2 3.36Å; Y69-F633 HydrophobicContact CE2-CG 4.37Å; Y69-F633 AromaticContact CE2-CZ 3.76Å; Y69-F633 HydrophobicContact CE2-CZ 3.76Å; Y69-F633 AromaticContact CZ-CE2 3.9Å; P75-F633 HydrophobicContact CB-CE1 3.64Å; P75-F633 HydrophobicContact CB-CZ 4.16Å; E77-F633 WeakPolarHBondContact O-CE1 3.5Å; L631-F633 HydrophobicContact CB-CE2 4.07Å; L631-F633 HydrophobicContact CD1-CE2 4.2Å; L631-F633 HydrophobicContact CD1-CZ 4.48Å; L631-F633 HydrophobicContact CD2-CE2 4.3Å; L631-F633 HydrophobicContact CD2-CZ 4.1Å; L631-F633 HydrophobicContact CG-CE2 4.43Å |
| 634 | L | 33.1 | Very low | 34 | Very low | 94 Ų | 94 | 97.7 Ų | 97.7 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | | | trans | -119.1 | 106.7 | 174.7 | -77.7 | 160.2 | 0 | 0 | 0 | 108.1 | C41 I43 L632 | C41-L634 HydrophobicContact CB-CD2 3.7Å; I43-L634 HydrophobicContact CD1-CD2 3.53Å; I43-L634 HydrophobicContact CG1-CD2 3.67Å; L632-L634 HydrophobicContact CD2-CG 4.35Å |
| 635 | S | 32.9 | Very low | 34.1 | Very low | 36 Ų | 36 | 101 Ų | 101 | 25% | 0.252 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 107.4 | 172.4 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | C41 E42 R68 | C41-S635 WeakPolarHBondContact CA-O 3.4Å; E42-S635 PolarHBondContact N-O 3.19Å; E42-S635 PolarHBondContact O-N 2.58Å; R68-S635 PolarHBondContact NH1-OG 3.07Å; R68-S635 VanDerWaalsContact NH1-OG 3.13Å |
| 636 | S | 32.8 | Very low | 34 | Very low | 93 Ų | 93 | 104 Ų | 104 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.3 | 177 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 637 | N | 34.7 | Very low | 33.8 | Very low | 81 Ų | 81 | 106.9 Ų | 106.9 | 43% | 0.433 | 59% | 0.589 | S | S | . | * | | | trans | -112.3 | 80.6 | -161.7 | -162.7 | 12.8 | 0 | 0 | 0 | 112.6 | N639 | N637-N639 VanDerWaalsContact CG-ND2 3.31Å; N637-N639 PolarHBondContact ND2-ND2 3.42Å; N637-N639 PolarHBondContact O-N 3.04Å; N637-N639 PolarHBondContact O-ND2 3Å; N637-N639 PolarHBondContact OD1-ND2 3.27Å |
| 638 | N | 34 | Very low | 33.6 | Very low | 146 Ų | 146 | 110.3 Ų | 110.3 | 78% | 0.781 | 61% | 0.607 | S | S | * | * | | | trans | -84.5 | 71.9 | -167.3 | -155.8 | 2 | 0 | 0 | 0 | 113.4 | N640 | N638-N640 PolarHBondContact O-N 3.08Å; N638-N640 VanDerWaalsContact O-N 3.17Å |
| 639 | N | 33 | Very low | 33.2 | Very low | 119 Ų | 119 | 111.5 Ų | 111.5 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | | | trans | -76 | 96.9 | -176 | -75.1 | -67.2 | 0 | 0 | 0 | 113.4 | N637 | N637-N639 VanDerWaalsContact CG-ND2 3.31Å; N637-N639 PolarHBondContact ND2-ND2 3.42Å; N637-N639 PolarHBondContact O-N 3.04Å; N637-N639 PolarHBondContact O-ND2 3Å; N637-N639 PolarHBondContact OD1-ND2 3.27Å |
| 640 | N | 33.9 | Very low | 33.1 | Very low | 137 Ų | 137 | 113.7 Ų | 113.7 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | | | trans | -129 | 64.4 | 174.4 | -116.1 | -29.1 | 0 | 0 | 0 | 111.9 | N638 N642 | N638-N640 PolarHBondContact O-N 3.08Å; N638-N640 VanDerWaalsContact O-N 3.17Å; N640-N642 PolarHBondContact O-N 3.43Å |
| 641 | S | 33.4 | Very low | 33.1 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | | | trans | -91.4 | 94 | 177.4 | -63.1 | 0 | 0 | 0 | 0 | 112 | | |
| 642 | N | 38.2 | Very low | 33 | Very low | 153 Ų | 153 | 117.1 Ų | 117.1 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | | | trans | -78.2 | 144.8 | 169.3 | -86.6 | -48 | 0 | 0 | 0 | 111.9 | N640 | N640-N642 PolarHBondContact O-N 3.43Š|
| 643 | N | 30.8 | Very low | 33.1 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | | | trans | -70.6 | 136.8 | -175.5 | -80.2 | -93.5 | 0 | 0 | 0 | 112.7 | | |
| 644 | L | 33.8 | Very low | 32.8 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | | | trans | -148.1 | 129.7 | 137 | -144.2 | 69.5 | 0 | 0 | 0 | 110.9 | | |
| 645 | K | 29 | Very low | 32.8 | Very low | 181 Ų | 181 | 128.1 Ų | 128.1 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | | | trans | -114.2 | 124.3 | 176.9 | -73.5 | 178.2 | 177.8 | 174.4 | 0 | 110 | | |
| 646 | T | 33.7 | Very low | 32.7 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -145.8 | 124.8 | 155.1 | 41.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 647 | N | 27.8 | Very low | 32.5 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -94.1 | 137.6 | 175.5 | -60.5 | -25.3 | 0 | 0 | 0 | 110.1 | | |
| 648 | T | 32.9 | Very low | 32.4 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | | | trans | -161.3 | 151.5 | 139.3 | 16.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 649 | A | 30.1 | Very low | 32.1 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | trans | -111.2 | 162.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 650 | T | 33.5 | Very low | 32.1 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | | 162.3 | 128.3 | 119.3 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 651 | A | 34.7 | Very low | 32.2 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | | | trans | 53.5 | 135.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 652 | P | 32.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | -96.4 | 152.4 | 168 | 37.6 | -32.4 | 0 | 0 | 0 | 113.2 | | |
| 653 | M | 34.7 | Very low | 32 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | | | trans | -141.2 | 143.8 | 157.5 | -85.1 | -64.2 | 170.1 | 0 | 0 | 109.8 | | |
| 654 | T | 29.2 | Very low | 31.8 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | | | trans | -94.2 | 137.3 | -176 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 655 | T | 32.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | | -175.3 | 142.4 | 127 | 27 | 0 | 0 | 0 | 0 | 114.3 | | |
| 656 | T | 31.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | 48 | 101.1 | 147.2 | 59 | 0 | 0 | 0 | 0 | 121.9 | | |
| 657 | V | 28.7 | Very low | 31.6 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | | 19.1 | 117.1 | 128.3 | -170.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 658 | S | 32.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -168.4 | 157.2 | 133.8 | -75.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 659 | D | 28.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -62.4 | 146.8 | -169.4 | -53.7 | -76.4 | 0 | 0 | 0 | 115.3 | | |
| 660 | L | 32.9 | Very low | 31.5 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | -164.7 | 115.8 | 150.4 | -112.3 | 166.7 | 0 | 0 | 0 | 114.1 | | |
| 661 | A | 36.9 | Very low | 31.3 | Very low | 88 Ų | 88 | 140.1 Ų | 140.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 42.5 | 129.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 662 | H | 30 | Very low | 31.2 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -62 | 162.3 | 162.1 | -62.7 | -89.1 | 0 | 0 | 0 | 113.3 | | |
| 663 | P | 35.6 | Very low | 31.1 | Very low | 101 Ų | 101 | 141 Ų | 141 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | | | | -116.7 | 123.3 | 120.3 | 33 | -31.7 | 0 | 0 | 0 | 111.8 | Y665 | P663-Y665 HydrophobicContact CB-CE2 4.1Å; P663-Y665 HydrophobicContact CG-CE2 4.3Å |
| 664 | S | 28.5 | Very low | 31 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | trans | -72.8 | 139.2 | 170.2 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 665 | Y | 31.3 | Very low | 31 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -128.9 | 127.9 | 167.7 | -81 | -79.2 | 0 | 0 | 0 | 110.1 | P663 | P663-Y665 HydrophobicContact CB-CE2 4.1Å; P663-Y665 HydrophobicContact CG-CE2 4.3Å |
| 666 | D | 28 | Very low | 30.9 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -67.5 | 130.7 | -179.3 | -64.4 | -66.4 | 0 | 0 | 0 | 111.9 | | |
| 667 | L | 32.9 | Very low | 31 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | | | trans | -110.4 | 111.5 | 155.6 | -81.7 | 175.2 | 0 | 0 | 0 | 109 | | |
| 668 | Q | 30.9 | Very low | 31.2 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -64 | 137.1 | -175.8 | -66 | 175.3 | -10.8 | 0 | 0 | 111.3 | Y670 | Q668-Y670 VanDerWaalsContact C-N 3.29Å; Q668-Y670 HydrophobicContact CB-CD2 4.33Å; Q668-Y670 HydrophobicContact CB-CE2 4.44Å; Q668-Y670 PolarHBondContact O-N 3.4Å |
| 669 | S | 25.9 | Very low | 31.6 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -72.1 | 74.9 | -177.6 | 42.5 | 0 | 0 | 0 | 0 | 112.8 | S671 | S669-S671 PolarHBondContact O-N 3.18Š|
| 670 | Y | 30.7 | Very low | 31.8 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -68.8 | 92.2 | 174.3 | -97.4 | -87.4 | 0 | 0 | 0 | 111.9 | Q668 S672 | Q668-Y670 VanDerWaalsContact C-N 3.29Å; Q668-Y670 HydrophobicContact CB-CD2 4.33Å; Q668-Y670 HydrophobicContact CB-CE2 4.44Å; Q668-Y670 PolarHBondContact O-N 3.4Å; Y670-S672 PolarHBondContact O-N 3.22Å |
| 671 | S | 28.9 | Very low | 32 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -55.3 | 105.7 | 172.5 | -176.2 | 0 | 0 | 0 | 0 | 111 | S669 S673 | S669-S671 PolarHBondContact O-N 3.18Å; S671-S673 PolarHBondContact O-N 3.42Å; S671-S673 PolarHBondContact O-OG 2.84Å |
| 672 | S | 32.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | -63.9 | 97.1 | 177.9 | -79.5 | 0 | 0 | 0 | 0 | 110.7 | Y670 | Y670-S672 PolarHBondContact O-N 3.22Š|
| 673 | S | 31.1 | Very low | 32 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | -68.3 | 136.1 | -173.7 | -75.1 | 0 | 0 | 0 | 0 | 112 | S671 M675 | S671-S673 PolarHBondContact O-N 3.42Å; S671-S673 PolarHBondContact O-OG 2.84Å; S673-M675 PolarHBondContact O-N 2.98Å |
| 674 | K | 32.2 | Very low | 31.9 | Very low | 204 Ų | 204 | 147.7 Ų | 147.7 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | | | trans | -63.3 | 96.3 | -173.4 | -63.4 | 161.7 | -175.5 | 162.2 | 0 | 111.5 | C676 | K674-C676 VanDerWaalsContact C-N 3.31Å; K674-C676 PolarHBondContact O-N 3.31Å |
| 675 | M | 29.1 | Very low | 32.1 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | trans | -72.8 | 82.3 | 178.3 | -159.4 | 175.8 | 84.8 | 0 | 0 | 111.9 | S673 V677 | S673-M675 PolarHBondContact O-N 2.98Å; M675-V677 HydrophobicContact CE-CG2 3.81Å; M675-V677 HydrophobicContact CG-CG2 4.41Å; M675-V677 PolarHBondContact O-N 3.45Å; M675-V677 VanDerWaalsContact O-N 3.1Å |
| 676 | C | 30 | Very low | 32.3 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | | | trans | -80.6 | 86.7 | -179.7 | -166.9 | 0 | 0 | 0 | 0 | 111.3 | K674 R678 | K674-C676 VanDerWaalsContact C-N 3.31Å; K674-C676 PolarHBondContact O-N 3.31Å; C676-R678 PolarHBondContact O-N 3.34Å |
| 677 | V | 34.2 | Very low | 32.8 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | | | trans | -70.4 | 81.2 | 173.5 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | M675 T679 | M675-V677 HydrophobicContact CE-CG2 3.81Å; M675-V677 HydrophobicContact CG-CG2 4.41Å; M675-V677 PolarHBondContact O-N 3.45Å; M675-V677 VanDerWaalsContact O-N 3.1Å; V677-T679 HydrophobicContact CG1-CG2 4.18Å; V677-T679 PolarHBondContact O-N 3.32Å |
| 678 | R | 33.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | | | trans | -96.2 | 89.9 | -178.6 | -156.4 | 174 | -164.8 | 146 | 0.5 | 109.6 | C676 N680 | C676-R678 PolarHBondContact O-N 3.34Å; R678-N680 PolarHBondContact O-N 3.08Å |
| 679 | T | 38.8 | Very low | 33.1 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -71.7 | 69.1 | -176.7 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | V677 K681 | V677-T679 HydrophobicContact CG1-CG2 4.18Å; V677-T679 PolarHBondContact O-N 3.32Å; T679-K681 PolarHBondContact O-N 3.28Å |
| 680 | N | 33.5 | Very low | 33.6 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -69.2 | 94.1 | 171.9 | -96.8 | -6.9 | 0 | 0 | 0 | 110.4 | R678 S682 | R678-N680 PolarHBondContact O-N 3.08Å; N680-S682 PolarHBondContact O-N 3.35Å |
| 681 | K | 36.6 | Very low | 33.8 | Very low | 212 Ų | 212 | 140.3 Ų | 140.3 | 92% | 0.922 | 76% | 0.755 | S | S | * | * | | | trans | -71.9 | 69.1 | 163.7 | -78.6 | -169.1 | 170.5 | -174.8 | 0 | 110.6 | T679 | T679-K681 PolarHBondContact O-N 3.28Š|
| 682 | S | 35.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -70.4 | 137.9 | 161.3 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | N680 | N680-S682 PolarHBondContact O-N 3.35Š|
| 683 | K | 32.7 | Very low | 34.1 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -104.5 | 78.3 | -172.2 | -172.2 | -175 | 176.5 | -175.1 | 0 | 110 | | |
| 684 | M | 33.2 | Very low | 34.5 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | -71.9 | 144.9 | 164.6 | -68.3 | -154.9 | 75.6 | 0 | 0 | 110 | F686 | M684-F686 HydrophobicContact CE-CE2 4.22Š|
| 685 | H | 32 | Very low | 34.3 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | | | trans | -133.7 | 111 | -168.8 | -162.3 | 21.2 | 0 | 0 | 0 | 107.4 | | |
| 686 | F | 36 | Very low | 34.5 | Very low | 168 Ų | 168 | 143 Ų | 143 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | | | trans | -120.7 | 149.4 | 166.7 | -83.1 | -82.4 | 0 | 0 | 0 | 108.6 | M684 | M684-F686 HydrophobicContact CE-CE2 4.22Š|
| 687 | P | 38.8 | Very low | 34.7 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -91.7 | 132.8 | -170.5 | 34.2 | -32.7 | 0 | 0 | 0 | 112.7 | | |
| 688 | D | 30.8 | Very low | 34.9 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | | | trans | -73.4 | 130.2 | 162.6 | -61.9 | -56.4 | 0 | 0 | 0 | 109.9 | | |
| 689 | S | 39.7 | Very low | 34.8 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | -154.6 | 138.3 | 168.8 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 690 | F | 35.9 | Very low | 34.6 | Very low | 212 Ų | 212 | 147.2 Ų | 147.2 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | | | trans | 65 | 139.7 | -175.8 | -54.6 | -86.9 | 0 | 0 | 0 | 115.8 | | |
| 691 | G | 35.7 | Very low | 34.9 | Very low | 56 Ų | 56 | 146 Ų | 146 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | | | cis | 142.7 | 120.6 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 692 | Q | 36.5 | Very low | 34.6 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 53.5 | 118.7 | 171.9 | -81.9 | 73.9 | -3.7 | 0 | 0 | 116.4 | | |
| 693 | L | 30.4 | Very low | 34.6 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | | 54.9 | 145.6 | 73.3 | -64.8 | 178.6 | 0 | 0 | 0 | 114.7 | | |
| 694 | P | 38.7 | Very low | 34.7 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -137.7 | 177.6 | 7.7 | 31 | -7 | 0 | 0 | 0 | 117.5 | | |
| 695 | F | 29.3 | Very low | 34.9 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | | | trans | 11.1 | 131.1 | 150.1 | -72.7 | -102.9 | 0 | 0 | 0 | 122.4 | | |
| 696 | S | 32.5 | Very low | 35.1 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | | -172.1 | 162.8 | 115.5 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 697 | Q | 33.9 | Very low | 35.2 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | | | trans | -112.6 | -163.5 | 177.7 | -67 | -169.5 | -31.3 | 0 | 0 | 110.2 | | |
| 698 | P | 38.2 | Very low | 35.2 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | | | | -125.7 | -165.8 | -75.5 | 37.4 | -20.8 | 0 | 0 | 0 | 112.8 | | |
| 699 | N | 32.5 | Very low | 35.7 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | | | trans | 99.2 | 148.3 | 159.4 | -56.2 | -32.8 | 0 | 0 | 0 | 119.6 | | |
| 700 | N | 33.7 | Very low | 35.7 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | | | trans | -75.8 | -177.2 | 175.5 | -54.3 | -41.3 | 0 | 0 | 0 | 110.7 | | |
| 701 | P | 41 | Very low | 36.1 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | | | cis | -153.6 | -170.9 | 17.8 | 46.8 | -25.6 | 0 | 0 | 0 | 119.6 | | |
| 702 | C | 29.6 | Very low | 36.3 | Very low | 110 Ų | 110 | 139 Ų | 139 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | 81.9 | 152.7 | 144.9 | -74.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 703 | L | 36.1 | Very low | 36.5 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | trans | 71.5 | 147.6 | 170.2 | -44.1 | -175.3 | 0 | 0 | 0 | 116.2 | | |
| 704 | E | 35.3 | Very low | 37.7 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | | | cis | -168.4 | 175.3 | -15.8 | -108.2 | -178.7 | 131.1 | 0 | 0 | 106.7 | | |
| 705 | L | 36.1 | Very low | 37.9 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | cis | -161.7 | 164.9 | 2.9 | -126.5 | 177.2 | 0 | 0 | 0 | 108.9 | | |
| 706 | L | 37.5 | Very low | 38.2 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | | | trans | 66.1 | 146.6 | 158.7 | -62.3 | 173.8 | 0 | 0 | 0 | 118.7 | F708 | L706-F708 HydrophobicContact CD2-CE2 4.3Š|
| 707 | S | 38.2 | Very low | 38.5 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | cis | -149.7 | 149.4 | 6.9 | -99.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 708 | F | 38.6 | Very low | 38.5 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | 19.8 | 145.4 | 146.1 | -57.3 | -84.1 | 0 | 0 | 0 | 121.8 | L706 | L706-F708 HydrophobicContact CD2-CE2 4.3Š|
| 709 | D | 41 | Very low | 38.7 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | cis | -151 | 174.6 | 22.9 | -128.8 | -35.5 | 0 | 0 | 0 | 115.4 | | |
| 710 | K | 39.9 | Very low | 38.8 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | | | trans | -108.6 | -177.5 | -176.8 | -121.9 | -178.1 | 172 | -158.1 | 0 | 112 | D712 | K710-D712 WeakPolarHBondContact CD-OD2 3.33Å; K710-D712 WeakPolarHBondContact CE-OD1 3.44Å; K710-D712 IonicContact NZ-OD1 2.58Å; K710-D712 PolarHBondContact NZ-OD1 3.48Å; K710-D712 IonicContact NZ-OD2 3.83Å |
| 711 | P | 44.6 | Very low | 38.8 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | cis | -135.4 | 142.5 | 35.3 | 38.5 | -17.8 | 0 | 0 | 0 | 116.4 | | |
| 712 | D | 38.2 | Very low | 38.4 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | | | | 78.3 | 128.6 | 91.7 | -63.8 | -59.1 | 0 | 0 | 0 | 118.7 | K710 | K710-D712 WeakPolarHBondContact CD-OD2 3.33Å; K710-D712 WeakPolarHBondContact CE-OD1 3.44Å; K710-D712 IonicContact NZ-OD1 2.58Å; K710-D712 PolarHBondContact NZ-OD1 3.48Å; K710-D712 IonicContact NZ-OD2 3.83Å |
| 713 | E | 40.6 | Very low | 38.8 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -118.7 | 140.6 | 170.4 | -173.5 | -165.9 | -115 | 0 | 0 | 109.5 | | |
| 714 | P | 56.5 | Low | 38.8 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | | | trans | -113 | 130.5 | 170.8 | 35.7 | -25.7 | 0 | 0 | 0 | 113.3 | | |
| 715 | P | 41.9 | Very low | 38.9 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | trans | -91.3 | 156.5 | -178.6 | 35.5 | -36 | 0 | 0 | 0 | 114.7 | | |
| 716 | A | 37.3 | Very low | 39.3 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | | | trans | 40.4 | 115.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 717 | N | 38.7 | Very low | 39.3 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 92% | 0.92 | 75% | 0.749 | S | S | * | * | | | | -171.2 | 160.7 | 123.8 | -95.8 | -49.1 | 0 | 0 | 0 | 111.6 | | |
| 718 | S | 33.7 | Very low | 39.5 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -85.2 | 159.7 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 719 | P | 41.8 | Very low | 39.5 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | -154.5 | 153.5 | 84.2 | 39.9 | -20.1 | 0 | 0 | 0 | 118.8 | | |
| 720 | V | 35.6 | Very low | 39.4 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | | | | 48.5 | 125.2 | 129.7 | -173.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 721 | E | 32.6 | Very low | 39.4 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | 62.2 | 145.3 | 158.6 | -68.1 | 168.9 | -169.2 | 0 | 0 | 117.9 | | |
| 722 | F | 33.4 | Very low | 39.2 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | | -153.2 | 161 | 52.1 | -114.5 | -100.9 | 0 | 0 | 0 | 114.1 | | |
| 723 | L | 36.4 | Very low | 39.4 | Very low | 147 Ų | 147 | 150 Ų | 150 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | 3.9 | 135.7 | 160.6 | -59.3 | 173.7 | 0 | 0 | 0 | 119.1 | | |
| 724 | S | 37.2 | Very low | 39.4 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | | -173.5 | 155.1 | 53.7 | 36.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 725 | N | 37.4 | Very low | 38.5 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | -102.3 | 154.7 | 166.3 | -78.8 | -68.1 | 0 | 0 | 0 | 110.1 | | |
| 726 | P | 44.7 | Very low | 38.3 | Very low | 120 Ų | 120 | 152.5 Ų | 152.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | | -143.2 | 132.9 | 96.6 | 35.2 | -19.7 | 0 | 0 | 0 | 113.7 | | |
| 727 | L | 36.2 | Very low | 38.3 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | | 57.1 | 97.4 | 74.2 | -77.8 | 174.4 | 0 | 0 | 0 | 116.7 | | |
| 728 | K | 43 | Very low | 38.3 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | trans | -159.6 | 130.9 | 133.8 | -99.2 | 153.9 | -171.3 | 178.4 | 0 | 107 | | |
| 729 | R | 38.3 | Very low | 38.6 | Very low | 223 Ų | 223 | 158.8 Ų | 158.8 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | | | cis | 66.3 | 130.6 | 49.3 | -73.1 | -165.5 | 176.1 | 174.5 | 0.3 | 112.8 | | |
| 730 | V | 39.4 | Very low | 38.4 | Very low | 127 Ų | 127 | 162.1 Ų | 162.1 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | cis | -154.1 | 168.9 | -3.6 | 97 | 0 | 0 | 0 | 0 | 113.2 | | |
| 731 | R | 39.5 | Very low | 38.6 | Very low | 204 Ų | 204 | 165.6 Ų | 165.6 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | | | trans | -60 | 166.7 | -178.8 | -49.4 | 164.2 | -176.2 | 154.3 | -2.1 | 115.7 | | |
| 732 | H | 40.9 | Very low | 39.1 | Very low | 167 Ų | 167 | 166.3 Ų | 166.3 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | 64.9 | 123.8 | 161.6 | -60.4 | -63.1 | 0 | 0 | 0 | 115.6 | | |
| 733 | L | 43 | Very low | 39.6 | Very low | 240 Ų | 240 | 166 Ų | 166 | 100% | 1.257 | 83% | 0.83 | S | S | * | * | | | cis | -81.6 | 0 | 29.3 | -75.3 | 156 | 0 | 0 | 0 | 116.5 | | |