73O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| C64 | C63 | doub | 1.38Å | 1.49Å | Aromatic |
| C64 | C57 | sing | 1.38Å | 1.46Å | Aromatic |
| O | C | doub | 1.21Å | 1.22Å | |
| C63 | C62 | sing | 1.39Å | 1.48Å | Aromatic |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | C52 | sing | 1.53Å | 1.53Å | |
| C54 | C57 | sing | 1.51Å | 1.52Å | |
| C54 | C52 | sing | 1.53Å | 1.52Å | |
| C57 | C60 | doub | 1.38Å | 1.49Å | Aromatic |
| C62 | O69 | sing | 1.36Å | 1.38Å | |
| C62 | C61 | doub | 1.39Å | 1.45Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.47Å | Aromatic |
| C | OXT | sing | 1.34Å | 1.35Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C52 | H5 | sing | 1.09Å | 1.10Å | |
| C52 | H6 | sing | 1.09Å | 1.10Å | |
| C54 | H7 | sing | 1.09Å | 1.10Å | |
| C54 | H8 | sing | 1.09Å | 1.10Å | |
| C60 | H9 | sing | 1.08Å | 1.08Å | |
| C61 | H10 | sing | 1.08Å | 1.08Å | |
| C63 | H11 | sing | 1.08Å | 1.08Å | |
| C64 | H12 | sing | 1.08Å | 1.08Å | |
| O69 | H13 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 112.4° | 109.5° |
| N | CA | C52 | 109.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 108.9° | 109.5° |
| C63 | C64 | C57 | 119.9° | 120.1° |
| C64 | C63 | C62 | 120.5° | 119.9° |
| C64 | C63 | H11 | 119.8° | 120.0° |
| C63 | C64 | H12 | 120.1° | 120.0° |
| C64 | C57 | C54 | 120.3° | 120.0° |
| C64 | C57 | C60 | 118.9° | 120.1° |
| C57 | C64 | H12 | 120.0° | 120.0° |
| O | C | CA | 120.8° | 120.0° |
| O | C | OXT | 124.4° | 120.0° |
| C63 | C62 | O69 | 121.1° | 120.1° |
| C63 | C62 | C61 | 119.3° | 119.9° |
| C62 | C63 | H11 | 119.8° | 120.0° |
| C | CA | C52 | 109.2° | 109.5° |
| CA | C | OXT | 114.9° | 120.0° |
| C | CA | HA | 108.5° | 109.4° |
| CA | C52 | C54 | 114.7° | 109.5° |
| C52 | CA | HA | 108.3° | 109.5° |
| CA | C52 | H5 | 108.1° | 109.5° |
| CA | C52 | H6 | 108.1° | 109.5° |
| C57 | C54 | C52 | 106.5° | 109.4° |
| C54 | C57 | C60 | 120.5° | 119.9° |
| C57 | C54 | H7 | 110.2° | 109.5° |
| C57 | C54 | H8 | 110.2° | 109.5° |
| C54 | C52 | H5 | 108.2° | 109.5° |
| C54 | C52 | H6 | 108.2° | 109.5° |
| C52 | C54 | H7 | 110.2° | 109.5° |
| C52 | C54 | H8 | 110.2° | 109.4° |
| C57 | C60 | C61 | 120.6° | 120.1° |
| C57 | C60 | H9 | 119.7° | 120.0° |
| O69 | C62 | C61 | 119.6° | 120.1° |
| C62 | O69 | H13 | 109.5° | 114.0° |
| C62 | C61 | C60 | 120.7° | 119.9° |
| C62 | C61 | H10 | 119.7° | 120.0° |
| C61 | C60 | H9 | 119.7° | 120.0° |
| C60 | C61 | H10 | 119.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| H5 | C52 | H6 | 109.5° | 109.4° |
| H7 | C54 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | O | 42.3° | 20.0° |
| N | CA | C | C52 | 121.7° | 120.0° |
| N | CA | C | HA | 120.5° | 120.0° |
| N | CA | C52 | HA | 118.7° | 120.0° |
| N | CA | C52 | C54 | 48.2° | 65.0° |
| N | CA | C | OXT | 138.2° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C52 | H5 | 72.6° | 55.0° |
| N | CA | C52 | H6 | 169.0° | 175.0° |
| C63 | C64 | C57 | H12 | 180.0° | 179.5° |
| C64 | C63 | C62 | H11 | 180.0° | 179.7° |
| C63 | C64 | C57 | C54 | 172.6° | 179.8° |
| C63 | C64 | C57 | C60 | 1.0° | 0.6° |
| C64 | C63 | C62 | O69 | 177.5° | 179.8° |
| C64 | C63 | C62 | C61 | 4.0° | 0.3° |
| C57 | C64 | C63 | C62 | 4.5° | 0.6° |
| C64 | C57 | C54 | C60 | 173.5° | 179.7° |
| C64 | C57 | C54 | C52 | 83.6° | 90.3° |
| C64 | C57 | C60 | C61 | 2.9° | 0.3° |
| C64 | C57 | C54 | H7 | 35.9° | 149.7° |
| C64 | C57 | C54 | H8 | 156.9° | 29.6° |
| C64 | C57 | C60 | H9 | 177.0° | 179.7° |
| C57 | C64 | C63 | H11 | 175.5° | 179.7° |
| O | C | CA | OXT | 179.5° | 179.9° |
| O | C | CA | C52 | 79.4° | 100.1° |
| O | C | CA | HA | 162.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C63 | C62 | O69 | C61 | 178.4° | 179.9° |
| C63 | C62 | C61 | C60 | 0.0° | 0.1° |
| C63 | C62 | C61 | H10 | 180.0° | 180.0° |
| C62 | C63 | C64 | H12 | 175.5° | 180.0° |
| C63 | C62 | O69 | H13 | 180.0° | 90.0° |
| C | CA | C52 | HA | 117.9° | 119.9° |
| C | CA | C52 | C54 | 171.6° | 175.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | C52 | H5 | 50.9° | 65.0° |
| C | CA | C52 | H6 | 67.6° | 55.0° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| CA | C52 | C54 | C57 | 172.3° | 179.9° |
| CA | C52 | C54 | H5 | 120.8° | 120.0° |
| CA | C52 | C54 | H6 | 120.8° | 120.1° |
| C52 | CA | C | OXT | 100.1° | 80.0° |
| C52 | CA | N | H | 58.5° | 60.0° |
| C52 | CA | N | H2 | 178.5° | 64.0° |
| CA | C52 | H5 | H6 | 117.6° | 120.0° |
| CA | C52 | C54 | H7 | 52.8° | 60.0° |
| CA | C52 | C54 | H8 | 68.2° | 60.0° |
| C57 | C54 | C52 | H7 | 119.5° | 120.0° |
| C57 | C54 | C52 | H8 | 119.5° | 120.0° |
| C54 | C57 | C60 | C61 | 176.5° | 180.0° |
| C57 | C54 | C52 | H5 | 51.5° | 60.0° |
| C57 | C54 | C52 | H6 | 66.9° | 60.0° |
| C57 | C54 | H7 | H8 | 121.4° | 120.0° |
| C54 | C57 | C60 | H9 | 3.5° | 0.1° |
| C54 | C57 | C64 | H12 | 7.5° | 0.3° |
| C52 | C54 | C57 | C60 | 89.9° | 90.0° |
| C54 | C52 | CA | HA | 70.5° | 55.0° |
| C54 | C52 | H5 | H6 | 117.6° | 120.0° |
| C52 | C54 | H7 | H8 | 121.4° | 120.0° |
| C57 | C60 | C61 | C62 | 3.5° | 0.1° |
| C57 | C60 | C61 | H9 | 180.0° | 179.9° |
| C60 | C57 | C54 | H7 | 150.6° | 30.0° |
| C60 | C57 | C54 | H8 | 29.7° | 150.0° |
| C57 | C60 | C61 | H10 | 176.5° | 180.0° |
| C60 | C57 | C64 | H12 | 179.0° | 180.0° |
| O69 | C62 | C61 | C60 | 178.5° | 180.0° |
| O69 | C62 | C61 | H10 | 1.5° | 0.1° |
| O69 | C62 | C63 | H11 | 2.4° | 0.1° |
| C62 | C61 | C60 | H10 | 180.0° | 179.9° |
| C62 | C61 | C60 | H9 | 176.5° | 180.0° |
| C61 | C62 | C63 | H11 | 176.0° | 180.0° |
| C61 | C62 | O69 | H13 | 1.6° | 90.1° |
| OXT | C | CA | HA | 17.7° | 40.0° |
| H | N | CA | HA | 59.8° | 180.0° |
| H2 | N | CA | HA | 60.2° | 56.0° |
| HA | CA | C52 | H5 | 168.8° | 175.0° |
| HA | CA | C52 | H6 | 50.3° | 65.0° |
| H5 | C52 | C54 | H7 | 68.0° | 180.0° |
| H5 | C52 | C54 | H8 | 171.0° | 60.0° |
| H6 | C52 | C54 | H7 | 173.6° | 60.0° |
| H6 | C52 | C54 | H8 | 52.6° | 180.0° |
| H9 | C60 | C61 | H10 | 3.5° | 0.1° |
| H11 | C63 | C64 | H12 | 4.5° | 0.3° |
