PRD_000328
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.26Å | |
| C1 | O2 | sing | 1.35Å | 1.41Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| N | CA | sing | 1.46Å | 1.44Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.28Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| N1 | CA1 | sing | 1.46Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | C9 | sing | 1.51Å | 1.52Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.21Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CA2 | CB2 | sing | 1.53Å | 1.58Å | |
| CA2 | N2 | sing | 1.47Å | 1.43Å | |
| CA2 | P | sing | 1.82Å | 1.84Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | CG | sing | 1.53Å | 1.56Å | |
| CB2 | HB12 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.55Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| P | O11 | doub | 1.48Å | 1.42Å | |
| P | O21 | sing | 1.61Å | 1.42Å | |
| O21 | HO2 | sing | 0.97Å | 0.95Å | |
| CA3 | CB3 | sing | 1.53Å | 1.55Å | |
| CA3 | CC | sing | 1.51Å | 1.52Å | |
| CA3 | OP | sing | 1.43Å | 1.47Å | |
| CA3 | HA3 | sing | 1.09Å | 1.10Å | |
| CB3 | CG1 | sing | 1.51Å | 1.51Å | |
| CB3 | HB13 | sing | 1.09Å | 1.10Å | |
| CB3 | HB23 | sing | 1.09Å | 1.10Å | |
| CG1 | CD11 | doub | 1.38Å | 1.42Å | Aromatic |
| CG1 | CD21 | sing | 1.38Å | 1.37Å | Aromatic |
| CD11 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD11 | HD1 | sing | 1.08Å | 1.08Å | |
| CD21 | CE2 | doub | 1.38Å | 1.37Å | Aromatic |
| CD21 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CC | OS | sing | 1.34Å | 1.39Å | |
| CC | O4 | doub | 1.21Å | 1.20Å | |
| CS | OS | sing | 1.45Å | 1.36Å | |
| CS | HS1 | sing | 1.09Å | 1.10Å | |
| CS | HS2 | sing | 1.09Å | 1.10Å | |
| CS | HS3 | sing | 1.09Å | 1.10Å | |
| C1 | N | sing | 1.35Å | 1.29Å | |
| C | N1 | sing | 1.35Å | 1.31Å | |
| C9 | N2 | sing | 1.35Å | 1.37Å | |
| P | OP | sing | 1.61Å | 1.57Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 116.6° | 120.0° |
| O1 | C1 | N | 122.4° | 120.0° |
| C1 | O2 | C2 | 113.6° | 117.0° |
| O2 | C1 | N | 120.9° | 120.0° |
| O2 | C2 | C3 | 106.9° | 109.5° |
| O2 | C2 | H21 | 110.3° | 109.4° |
| O2 | C2 | H22 | 110.3° | 109.5° |
| C3 | C2 | H21 | 110.4° | 109.5° |
| C3 | C2 | H22 | 110.4° | 109.5° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | C8 | 117.2° | 120.0° |
| H21 | C2 | H22 | 108.6° | 109.5° |
| C4 | C3 | C8 | 122.9° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| C3 | C4 | H41 | 120.3° | 120.0° |
| C3 | C8 | C7 | 118.1° | 120.0° |
| C3 | C8 | H81 | 121.0° | 120.0° |
| C5 | C4 | H41 | 120.3° | 120.0° |
| C4 | C5 | C6 | 118.9° | 120.0° |
| C4 | C5 | H51 | 120.6° | 120.0° |
| C6 | C5 | H51 | 120.6° | 120.0° |
| C5 | C6 | C7 | 121.5° | 120.0° |
| C5 | C6 | H61 | 119.2° | 120.0° |
| C7 | C6 | H61 | 119.3° | 120.0° |
| C6 | C7 | C8 | 119.2° | 120.0° |
| C6 | C7 | H71 | 120.4° | 120.0° |
| C8 | C7 | H71 | 120.4° | 119.9° |
| C7 | C8 | H81 | 121.0° | 120.0° |
| CA | N | H | 119.2° | 120.0° |
| N | CA | C | 110.0° | 109.4° |
| N | CA | CB | 103.1° | 109.5° |
| N | CA | HA | 112.5° | 109.5° |
| CA | N | C1 | 121.7° | 120.0° |
| H | N | C1 | 119.1° | 120.0° |
| C | CA | CB | 107.1° | 109.5° |
| C | CA | HA | 108.9° | 109.5° |
| CA | C | O | 119.4° | 120.0° |
| CA | C | N1 | 114.4° | 120.0° |
| CB | CA | HA | 115.2° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.4° |
| CA | CB | HB2 | 109.4° | 109.4° |
| CA | CB | HB3 | 109.5° | 109.5° |
| O | C | N1 | 126.2° | 120.0° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| HB1 | CB | HB3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| CA1 | N1 | H1 | 120.1° | 119.9° |
| N1 | CA1 | C9 | 105.3° | 109.5° |
| N1 | CA1 | CB1 | 113.0° | 109.5° |
| N1 | CA1 | HA1 | 112.3° | 109.4° |
| CA1 | N1 | C | 119.8° | 120.0° |
| H1 | N1 | C | 120.1° | 120.0° |
| C9 | CA1 | CB1 | 115.6° | 109.5° |
| C9 | CA1 | HA1 | 109.6° | 109.4° |
| CA1 | C9 | O3 | 119.8° | 120.0° |
| CA1 | C9 | N2 | 117.7° | 120.0° |
| CB1 | CA1 | HA1 | 101.2° | 109.5° |
| CA1 | CB1 | HB11 | 109.5° | 109.5° |
| CA1 | CB1 | HB21 | 109.4° | 109.5° |
| CA1 | CB1 | HB31 | 109.4° | 109.5° |
| O3 | C9 | N2 | 122.4° | 120.0° |
| HB11 | CB1 | HB21 | 109.5° | 109.5° |
| HB11 | CB1 | HB31 | 109.5° | 109.4° |
| HB21 | CB1 | HB31 | 109.5° | 109.5° |
| CB2 | CA2 | N2 | 110.3° | 109.5° |
| CB2 | CA2 | P | 111.1° | 109.5° |
| CB2 | CA2 | HA2 | 108.3° | 109.5° |
| CA2 | CB2 | CG | 116.0° | 109.5° |
| CA2 | CB2 | HB12 | 107.3° | 109.5° |
| CA2 | CB2 | HB22 | 107.4° | 109.5° |
| N2 | CA2 | P | 111.1° | 109.5° |
| N2 | CA2 | HA2 | 108.4° | 109.4° |
| CA2 | N2 | HN2 | 117.7° | 120.0° |
| CA2 | N2 | C9 | 124.7° | 120.0° |
| P | CA2 | HA2 | 107.5° | 109.4° |
| CA2 | P | O11 | 108.6° | 109.5° |
| CA2 | P | O21 | 106.1° | 109.5° |
| CA2 | P | OP | 97.7° | 109.5° |
| CG | CB2 | HB12 | 107.3° | 109.5° |
| CG | CB2 | HB22 | 107.3° | 109.4° |
| CB2 | CG | CD1 | 106.0° | 109.4° |
| CB2 | CG | CD2 | 111.1° | 109.5° |
| CB2 | CG | HG | 111.7° | 109.4° |
| HB12 | CB2 | HB22 | 111.5° | 109.5° |
| CD1 | CG | CD2 | 112.2° | 109.5° |
| CD1 | CG | HG | 110.6° | 109.4° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.5° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CD2 | CG | HG | 105.4° | 109.5° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.5° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.5° | 109.5° |
| HD12 | CD1 | HD13 | 109.4° | 109.4° |
| HD21 | CD2 | HD22 | 109.4° | 109.4° |
| HD21 | CD2 | HD23 | 109.5° | 109.5° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
| HN2 | N2 | C9 | 117.7° | 120.0° |
| O11 | P | O21 | 123.6° | 109.4° |
| O11 | P | OP | 106.2° | 109.4° |
| P | O21 | HO2 | 109.5° | 114.0° |
| O21 | P | OP | 111.5° | 109.5° |
| CB3 | CA3 | CC | 106.6° | 109.5° |
| CB3 | CA3 | OP | 108.6° | 109.5° |
| CB3 | CA3 | HA3 | 112.2° | 109.4° |
| CA3 | CB3 | CG1 | 114.2° | 109.5° |
| CA3 | CB3 | HB13 | 107.9° | 109.5° |
| CA3 | CB3 | HB23 | 107.9° | 109.5° |
| CC | CA3 | OP | 110.3° | 109.5° |
| CC | CA3 | HA3 | 110.5° | 109.5° |
| CA3 | CC | OS | 122.9° | 120.0° |
| CA3 | CC | O4 | 122.7° | 120.0° |
| OP | CA3 | HA3 | 108.6° | 109.5° |
| CA3 | OP | P | 118.1° | 123.0° |
| CG1 | CB3 | HB13 | 107.9° | 109.5° |
| CG1 | CB3 | HB23 | 107.9° | 109.5° |
| CB3 | CG1 | CD11 | 115.7° | 120.0° |
| CB3 | CG1 | CD21 | 125.1° | 120.0° |
| HB13 | CB3 | HB23 | 111.0° | 109.5° |
| CD11 | CG1 | CD21 | 119.3° | 120.0° |
| CG1 | CD11 | CE1 | 121.8° | 120.0° |
| CG1 | CD11 | HD1 | 119.1° | 120.0° |
| CG1 | CD21 | CE2 | 119.3° | 120.0° |
| CG1 | CD21 | HD2 | 120.3° | 120.1° |
| CE1 | CD11 | HD1 | 119.1° | 120.0° |
| CD11 | CE1 | CZ | 117.4° | 120.1° |
| CD11 | CE1 | HE1 | 121.3° | 120.0° |
| CE2 | CD21 | HD2 | 120.4° | 120.0° |
| CD21 | CE2 | CZ | 121.1° | 120.0° |
| CD21 | CE2 | HE2 | 119.5° | 120.0° |
| CZ | CE1 | HE1 | 121.3° | 120.0° |
| CE1 | CZ | CE2 | 121.2° | 119.9° |
| CE1 | CZ | HZ | 119.4° | 120.0° |
| CZ | CE2 | HE2 | 119.5° | 120.0° |
| CE2 | CZ | HZ | 119.4° | 120.0° |
| OS | CC | O4 | 114.4° | 120.0° |
| CC | OS | CS | 126.8° | 117.0° |
| OS | CS | HS1 | 109.5° | 109.5° |
| OS | CS | HS2 | 109.4° | 109.5° |
| OS | CS | HS3 | 109.5° | 109.5° |
| HS1 | CS | HS2 | 109.4° | 109.5° |
| HS1 | CS | HS3 | 109.5° | 109.5° |
| HS2 | CS | HS3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N | 175.5° | 179.7° |
| O1 | C1 | O2 | C2 | 18.0° | 0.0° |
| O1 | C1 | N | CA | 1.4° | 0.1° |
| O1 | C1 | N | H | 178.6° | 180.0° |
| C1 | O2 | C2 | C3 | 114.7° | 180.0° |
| C1 | O2 | C2 | H21 | 5.3° | 60.0° |
| C1 | O2 | C2 | H22 | 125.3° | 60.0° |
| O2 | C1 | N | CA | 176.7° | 179.7° |
| O2 | C1 | N | H | 3.3° | 0.3° |
| O2 | C2 | C3 | H21 | 120.0° | 120.0° |
| O2 | C2 | C3 | H22 | 120.0° | 120.0° |
| O2 | C2 | H21 | H22 | 121.0° | 120.0° |
| O2 | C2 | C3 | C4 | 138.6° | 90.0° |
| O2 | C2 | C3 | C8 | 42.3° | 90.3° |
| C2 | O2 | C1 | N | 157.5° | 179.7° |
| C3 | C2 | H21 | H22 | 121.1° | 120.0° |
| C2 | C3 | C4 | C8 | 179.1° | 179.8° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C2 | C3 | C4 | H41 | 0.0° | 0.1° |
| C2 | C3 | C8 | C7 | 179.9° | 179.8° |
| C2 | C3 | C8 | H81 | 0.0° | 0.1° |
| H21 | C2 | C3 | C4 | 18.6° | 30.0° |
| H21 | C2 | C3 | C8 | 162.3° | 149.8° |
| H22 | C2 | C3 | C4 | 101.5° | 150.0° |
| H22 | C2 | C3 | C8 | 77.7° | 29.7° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.4° | 0.0° |
| C3 | C4 | C5 | H51 | 178.6° | 180.0° |
| C4 | C3 | C8 | C7 | 0.9° | 0.4° |
| C4 | C3 | C8 | H81 | 179.1° | 179.7° |
| C8 | C3 | C4 | C5 | 0.9° | 0.2° |
| C8 | C3 | C4 | H41 | 179.1° | 179.7° |
| C3 | C8 | C7 | C6 | 1.5° | 0.4° |
| C3 | C8 | C7 | H81 | 180.0° | 179.8° |
| C3 | C8 | C7 | H71 | 178.5° | 179.8° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 2.1° | 0.0° |
| C4 | C5 | C6 | H61 | 177.9° | 180.0° |
| H41 | C4 | C5 | C6 | 178.6° | 179.9° |
| H41 | C4 | C5 | H51 | 1.4° | 0.1° |
| C5 | C6 | C7 | H61 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 2.1° | 0.2° |
| C5 | C6 | C7 | H71 | 177.9° | 180.0° |
| H51 | C5 | C6 | C7 | 177.9° | 180.0° |
| H51 | C5 | C6 | H61 | 2.1° | 0.0° |
| C6 | C7 | C8 | H71 | 180.0° | 179.8° |
| C6 | C7 | C8 | H81 | 178.6° | 179.7° |
| H61 | C6 | C7 | C8 | 177.9° | 179.8° |
| H61 | C6 | C7 | H71 | 2.1° | 0.0° |
| H71 | C7 | C8 | H81 | 1.5° | 0.1° |
| CA | N | H | C1 | 180.0° | 180.0° |
| N | CA | C | CB | 111.3° | 120.0° |
| N | CA | C | HA | 123.6° | 120.0° |
| N | CA | CB | HA | 122.9° | 120.0° |
| N | CA | C | O | 15.9° | 0.0° |
| N | CA | CB | HB1 | 180.0° | 180.0° |
| N | CA | CB | HB2 | 60.0° | 60.0° |
| N | CA | CB | HB3 | 60.0° | 60.0° |
| N | CA | C | N1 | 163.9° | 180.0° |
| H | N | CA | C | 99.6° | 25.0° |
| H | N | CA | CB | 14.3° | 95.0° |
| H | N | CA | HA | 138.9° | 145.0° |
| C | CA | CB | HA | 121.2° | 120.0° |
| CA | C | O | N1 | 179.7° | 180.0° |
| C | CA | CB | HB1 | 64.0° | 60.0° |
| C | CA | CB | HB2 | 176.0° | 180.0° |
| C | CA | CB | HB3 | 56.0° | 60.0° |
| CA | C | N1 | CA1 | 177.8° | 180.0° |
| CA | C | N1 | H1 | 2.2° | 0.0° |
| C | CA | N | C1 | 80.4° | 155.0° |
| CB | CA | C | O | 95.4° | 120.0° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 120.0° | 120.0° |
| CB | CA | N | C1 | 165.7° | 85.0° |
| CB | CA | C | N1 | 84.9° | 60.0° |
| HA | CA | C | O | 139.5° | 120.0° |
| HA | CA | CB | HB1 | 57.2° | 60.0° |
| HA | CA | CB | HB2 | 62.9° | 60.0° |
| HA | CA | CB | HB3 | 177.2° | 180.0° |
| HA | CA | N | C1 | 41.1° | 35.0° |
| HA | CA | C | N1 | 40.2° | 60.0° |
| O | C | N1 | CA1 | 2.4° | 0.0° |
| O | C | N1 | H1 | 177.5° | 180.0° |
| HB1 | CB | HB2 | HB3 | 120.0° | 120.1° |
| CA1 | N1 | H1 | C | 180.0° | 180.0° |
| N1 | CA1 | C9 | CB1 | 125.5° | 120.1° |
| N1 | CA1 | C9 | HA1 | 121.0° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 120.3° | 120.0° |
| N1 | CA1 | C9 | O3 | 92.2° | 0.1° |
| N1 | CA1 | CB1 | HB11 | 180.0° | 60.0° |
| N1 | CA1 | CB1 | HB21 | 60.0° | 179.9° |
| N1 | CA1 | CB1 | HB31 | 60.0° | 59.9° |
| N1 | CA1 | C9 | N2 | 85.7° | 180.0° |
| H1 | N1 | CA1 | C9 | 44.8° | 25.0° |
| H1 | N1 | CA1 | CB1 | 82.3° | 95.1° |
| H1 | N1 | CA1 | HA1 | 164.0° | 145.0° |
| C9 | CA1 | CB1 | HA1 | 118.2° | 120.0° |
| CA1 | C9 | O3 | N2 | 177.9° | 179.9° |
| C9 | CA1 | CB1 | HB11 | 58.6° | 60.0° |
| C9 | CA1 | CB1 | HB21 | 178.6° | 60.0° |
| C9 | CA1 | CB1 | HB31 | 61.4° | 180.0° |
| CA1 | C9 | N2 | CA2 | 177.5° | 180.0° |
| CA1 | C9 | N2 | HN2 | 2.5° | 0.0° |
| C9 | CA1 | N1 | C | 135.2° | 155.0° |
| CB1 | CA1 | C9 | O3 | 33.3° | 120.0° |
| CA1 | CB1 | HB11 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | HB11 | HB31 | 120.0° | 120.0° |
| CA1 | CB1 | HB21 | HB31 | 120.0° | 120.0° |
| CB1 | CA1 | N1 | C | 97.7° | 85.0° |
| CB1 | CA1 | C9 | N2 | 148.7° | 59.9° |
| HA1 | CA1 | C9 | O3 | 146.8° | 120.1° |
| HA1 | CA1 | CB1 | HB11 | 59.7° | 180.0° |
| HA1 | CA1 | CB1 | HB21 | 60.3° | 60.0° |
| HA1 | CA1 | CB1 | HB31 | 179.7° | 60.0° |
| HA1 | CA1 | N1 | C | 16.1° | 35.0° |
| HA1 | CA1 | C9 | N2 | 35.3° | 60.0° |
| O3 | C9 | N2 | CA2 | 0.4° | 0.1° |
| O3 | C9 | N2 | HN2 | 179.6° | 179.9° |
| HB11 | CB1 | HB21 | HB31 | 120.0° | 120.0° |
| CB2 | CA2 | N2 | P | 123.7° | 120.0° |
| CB2 | CA2 | N2 | HA2 | 118.4° | 120.1° |
| CB2 | CA2 | P | HA2 | 118.3° | 120.1° |
| CA2 | CB2 | CG | HB12 | 120.0° | 120.0° |
| CA2 | CB2 | CG | HB22 | 120.0° | 120.0° |
| CA2 | CB2 | HB12 | HB22 | 117.4° | 120.0° |
| CA2 | CB2 | CG | CD1 | 174.7° | 65.0° |
| CA2 | CB2 | CG | CD2 | 63.2° | 175.0° |
| CA2 | CB2 | CG | HG | 54.2° | 55.0° |
| CB2 | CA2 | N2 | HN2 | 58.3° | 45.0° |
| CB2 | CA2 | P | O11 | 55.6° | 55.0° |
| CB2 | CA2 | P | O21 | 79.2° | 175.0° |
| CB2 | CA2 | N2 | C9 | 121.7° | 135.0° |
| CB2 | CA2 | P | OP | 165.6° | 65.0° |
| N2 | CA2 | P | HA2 | 118.5° | 119.9° |
| N2 | CA2 | CB2 | CG | 46.9° | 180.0° |
| N2 | CA2 | CB2 | HB12 | 73.1° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 166.9° | 60.0° |
| CA2 | N2 | HN2 | C9 | 180.0° | 180.0° |
| N2 | CA2 | P | O11 | 178.8° | 65.0° |
| N2 | CA2 | P | O21 | 44.0° | 55.0° |
| N2 | CA2 | P | OP | 71.2° | 175.0° |
| P | CA2 | CB2 | CG | 170.5° | 60.0° |
| P | CA2 | CB2 | HB12 | 50.6° | 180.0° |
| P | CA2 | CB2 | HB22 | 69.5° | 60.0° |
| P | CA2 | N2 | HN2 | 65.4° | 75.0° |
| CA2 | P | O11 | O21 | 125.1° | 120.0° |
| CA2 | P | O11 | OP | 104.2° | 120.0° |
| CA2 | P | O21 | OP | 105.3° | 120.1° |
| CA2 | P | O21 | HO2 | 126.2° | 60.0° |
| CA2 | P | OP | CA3 | 149.5° | 175.0° |
| P | CA2 | N2 | C9 | 114.6° | 105.0° |
| HA2 | CA2 | CB2 | CG | 71.6° | 60.0° |
| HA2 | CA2 | CB2 | HB12 | 168.4° | 60.0° |
| HA2 | CA2 | CB2 | HB22 | 48.4° | 180.0° |
| HA2 | CA2 | N2 | HN2 | 176.7° | 165.1° |
| HA2 | CA2 | P | O11 | 62.7° | 175.0° |
| HA2 | CA2 | P | O21 | 162.4° | 65.0° |
| HA2 | CA2 | N2 | C9 | 3.3° | 14.9° |
| HA2 | CA2 | P | OP | 47.3° | 55.1° |
| CG | CB2 | HB12 | HB22 | 117.3° | 120.0° |
| CB2 | CG | CD1 | CD2 | 121.5° | 120.0° |
| CB2 | CG | CD1 | HG | 121.2° | 119.9° |
| CB2 | CG | CD2 | HG | 121.1° | 120.0° |
| CB2 | CG | CD1 | HD11 | 180.0° | 179.9° |
| CB2 | CG | CD1 | HD12 | 60.0° | 60.0° |
| CB2 | CG | CD1 | HD13 | 60.0° | 60.0° |
| CB2 | CG | CD2 | HD21 | 180.0° | 60.0° |
| CB2 | CG | CD2 | HD22 | 60.0° | 180.0° |
| CB2 | CG | CD2 | HD23 | 60.0° | 60.0° |
| HB12 | CB2 | CG | CD1 | 54.7° | 55.0° |
| HB12 | CB2 | CG | CD2 | 176.9° | 65.0° |
| HB12 | CB2 | CG | HG | 65.8° | 174.9° |
| HB22 | CB2 | CG | CD1 | 65.3° | 175.0° |
| HB22 | CB2 | CG | CD2 | 56.9° | 55.0° |
| HB22 | CB2 | CG | HG | 174.2° | 65.1° |
| CD1 | CG | CD2 | HG | 120.4° | 120.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 61.5° | 180.0° |
| CD1 | CG | CD2 | HD22 | 58.5° | 60.0° |
| CD1 | CG | CD2 | HD23 | 178.5° | 60.0° |
| CD2 | CG | CD1 | HD11 | 58.6° | 60.0° |
| CD2 | CG | CD1 | HD12 | 178.6° | 180.0° |
| CD2 | CG | CD1 | HD13 | 61.5° | 60.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG | CD1 | HD11 | 58.8° | 60.0° |
| HG | CG | CD1 | HD12 | 61.2° | 59.9° |
| HG | CG | CD1 | HD13 | 178.8° | 179.9° |
| HG | CG | CD2 | HD21 | 58.9° | 60.0° |
| HG | CG | CD2 | HD22 | 178.9° | 60.0° |
| HG | CG | CD2 | HD23 | 61.1° | 180.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| O11 | P | O21 | OP | 128.5° | 119.9° |
| O11 | P | O21 | HO2 | 0.0° | 180.0° |
| O11 | P | OP | CA3 | 37.5° | 55.0° |
| O21 | P | OP | CA3 | 99.8° | 65.0° |
| HO2 | O21 | P | OP | 128.5° | 60.1° |
| CB3 | CA3 | CC | OP | 117.7° | 120.0° |
| CB3 | CA3 | CC | HA3 | 122.2° | 119.9° |
| CB3 | CA3 | OP | HA3 | 122.3° | 119.9° |
| CA3 | CB3 | CG1 | HB13 | 120.0° | 120.0° |
| CA3 | CB3 | CG1 | HB23 | 120.0° | 120.0° |
| CA3 | CB3 | HB13 | HB23 | 118.1° | 120.0° |
| CA3 | CB3 | CG1 | CD11 | 104.4° | 90.0° |
| CA3 | CB3 | CG1 | CD21 | 75.6° | 90.3° |
| CB3 | CA3 | CC | OS | 55.6° | 65.0° |
| CB3 | CA3 | CC | O4 | 124.2° | 115.0° |
| CB3 | CA3 | OP | P | 124.2° | 120.0° |
| CC | CA3 | OP | HA3 | 121.2° | 120.1° |
| CC | CA3 | CB3 | CG1 | 61.2° | 175.0° |
| CC | CA3 | CB3 | HB13 | 58.7° | 65.0° |
| CC | CA3 | CB3 | HB23 | 178.8° | 55.0° |
| CA3 | CC | OS | O4 | 179.8° | 180.0° |
| CA3 | CC | OS | CS | 158.5° | 180.0° |
| CC | CA3 | OP | P | 119.3° | 120.0° |
| OP | CA3 | CB3 | CG1 | 57.6° | 65.0° |
| OP | CA3 | CB3 | HB13 | 177.6° | 55.0° |
| OP | CA3 | CB3 | HB23 | 62.4° | 175.0° |
| OP | CA3 | CC | OS | 173.3° | 175.0° |
| OP | CA3 | CC | O4 | 6.5° | 5.0° |
| HA3 | CA3 | CB3 | CG1 | 177.6° | 55.0° |
| HA3 | CA3 | CB3 | HB13 | 62.4° | 175.0° |
| HA3 | CA3 | CB3 | HB23 | 57.7° | 65.0° |
| HA3 | CA3 | CC | OS | 66.6° | 54.9° |
| HA3 | CA3 | CC | O4 | 113.6° | 125.1° |
| HA3 | CA3 | OP | P | 2.0° | 0.1° |
| CG1 | CB3 | HB13 | HB23 | 118.1° | 120.0° |
| CB3 | CG1 | CD11 | CD21 | 179.9° | 179.7° |
| CB3 | CG1 | CD11 | CE1 | 179.8° | 180.0° |
| CB3 | CG1 | CD11 | HD1 | 0.2° | 0.1° |
| CB3 | CG1 | CD21 | CE2 | 179.2° | 180.0° |
| CB3 | CG1 | CD21 | HD2 | 0.8° | 0.0° |
| HB13 | CB3 | CG1 | CD11 | 15.6° | 30.0° |
| HB13 | CB3 | CG1 | CD21 | 164.4° | 149.7° |
| HB23 | CB3 | CG1 | CD11 | 135.6° | 150.0° |
| HB23 | CB3 | CG1 | CD21 | 44.4° | 29.7° |
| CG1 | CD11 | CE1 | HD1 | 180.0° | 179.9° |
| CD11 | CG1 | CD21 | CE2 | 0.7° | 0.3° |
| CD11 | CG1 | CD21 | HD2 | 179.3° | 179.7° |
| CG1 | CD11 | CE1 | CZ | 0.1° | 0.0° |
| CG1 | CD11 | CE1 | HE1 | 179.9° | 179.9° |
| CD21 | CG1 | CD11 | CE1 | 0.3° | 0.3° |
| CD21 | CG1 | CD11 | HD1 | 179.7° | 179.8° |
| CG1 | CD21 | CE2 | HD2 | 180.0° | 179.9° |
| CG1 | CD21 | CE2 | CZ | 2.1° | 0.0° |
| CG1 | CD21 | CE2 | HE2 | 177.9° | 180.0° |
| CD11 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD11 | CE1 | CZ | CE2 | 1.5° | 0.3° |
| CD11 | CE1 | CZ | HZ | 178.5° | 180.0° |
| HD1 | CD11 | CE1 | CZ | 179.9° | 179.9° |
| HD1 | CD11 | CE1 | HE1 | 0.1° | 0.0° |
| CD21 | CE2 | CZ | CE1 | 2.5° | 0.3° |
| CD21 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD21 | CE2 | CZ | HZ | 177.5° | 180.0° |
| HD2 | CD21 | CE2 | CZ | 178.0° | 180.0° |
| HD2 | CD21 | CE2 | HE2 | 2.0° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 177.5° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 178.5° | 179.8° |
| HE1 | CE1 | CZ | HZ | 1.5° | 0.1° |
| HE2 | CE2 | CZ | HZ | 2.5° | 0.0° |
| CC | OS | CS | HS1 | 180.0° | 60.0° |
| CC | OS | CS | HS2 | 60.0° | 60.0° |
| CC | OS | CS | HS3 | 60.0° | 180.0° |
| O4 | CC | OS | CS | 21.7° | 0.0° |
| OS | CS | HS1 | HS2 | 120.0° | 120.0° |
| OS | CS | HS1 | HS3 | 120.0° | 120.0° |
| OS | CS | HS2 | HS3 | 120.0° | 120.0° |
| HS1 | CS | HS2 | HS3 | 120.0° | 120.0° |
