01B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CB | sing | 1.47Å | 1.44Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | C6 | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| O2 | CA | sing | 1.43Å | 1.41Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.35Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CB | CA | 109.1° | 109.5° |
| N | CB | C6 | 112.3° | 109.5° |
| N | CB | HB | 108.8° | 109.5° |
| CB | N | H | 109.5° | 111.0° |
| CB | N | H2 | 109.5° | 111.0° |
| CA | CB | C6 | 112.2° | 109.5° |
| CA | CB | HB | 108.8° | 109.5° |
| CB | CA | O2 | 109.1° | 109.4° |
| CB | CA | C | 106.7° | 109.5° |
| CB | CA | HA | 111.2° | 109.5° |
| C6 | CB | HB | 105.4° | 109.4° |
| CB | C6 | C7 | 115.8° | 109.5° |
| CB | C6 | H6 | 107.4° | 109.4° |
| CB | C6 | H6A | 107.4° | 109.5° |
| O2 | CA | C | 108.4° | 109.5° |
| O2 | CA | HA | 109.5° | 109.5° |
| CA | O2 | HO2 | 109.5° | 114.0° |
| C | CA | HA | 111.8° | 109.5° |
| CA | C | O | 113.1° | 120.0° |
| CA | C | OXT | 122.3° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| O | C | OXT | 124.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C7 | C6 | H6 | 107.4° | 109.5° |
| C7 | C6 | H6A | 107.4° | 109.5° |
| C6 | C7 | C8 | 120.6° | 120.0° |
| C6 | C7 | C12 | 121.4° | 120.0° |
| H6 | C6 | H6A | 111.5° | 109.5° |
| C8 | C7 | C12 | 118.0° | 120.0° |
| C7 | C8 | C9 | 121.4° | 120.0° |
| C7 | C8 | H8 | 119.3° | 120.0° |
| C7 | C12 | C11 | 121.1° | 120.0° |
| C7 | C12 | H12 | 119.5° | 120.0° |
| C9 | C8 | H8 | 119.3° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | C11 | 119.5° | 120.0° |
| C9 | C10 | H10 | 120.3° | 120.0° |
| C11 | C10 | H10 | 120.3° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | H12 | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CB | CA | C6 | 125.2° | 120.0° |
| N | CB | CA | HB | 118.6° | 120.0° |
| N | CB | C6 | HB | 118.3° | 120.0° |
| N | CB | CA | O2 | 43.3° | 65.0° |
| N | CB | CA | C | 160.3° | 55.0° |
| N | CB | CA | HA | 77.6° | 175.0° |
| CB | N | H | H2 | 120.0° | 123.9° |
| N | CB | C6 | C7 | 52.9° | 65.0° |
| N | CB | C6 | H6 | 172.8° | 175.0° |
| N | CB | C6 | H6A | 67.2° | 55.0° |
| CA | CB | C6 | HB | 118.3° | 120.0° |
| CB | CA | O2 | C | 115.8° | 120.0° |
| CB | CA | O2 | HA | 121.9° | 120.0° |
| CB | CA | C | HA | 121.8° | 120.0° |
| CA | CB | N | H | 180.0° | 60.0° |
| CA | CB | N | H2 | 60.0° | 63.9° |
| CB | CA | O2 | HO2 | 180.0° | 60.0° |
| CB | CA | C | O | 118.0° | 115.0° |
| CB | CA | C | OXT | 63.7° | 65.0° |
| CA | CB | C6 | C7 | 176.3° | 175.0° |
| CA | CB | C6 | H6 | 63.8° | 55.0° |
| CA | CB | C6 | H6A | 56.2° | 65.0° |
| C6 | CB | CA | O2 | 168.5° | 55.0° |
| C6 | CB | CA | C | 74.6° | 175.0° |
| C6 | CB | CA | HA | 47.6° | 65.0° |
| C6 | CB | N | H | 54.9° | 60.0° |
| C6 | CB | N | H2 | 65.1° | 176.0° |
| CB | C6 | C7 | H6 | 120.0° | 120.0° |
| CB | C6 | C7 | H6A | 120.0° | 120.0° |
| CB | C6 | H6 | H6A | 117.4° | 120.0° |
| CB | C6 | C7 | C8 | 124.8° | 89.8° |
| CB | C6 | C7 | C12 | 57.0° | 90.0° |
| HB | CB | CA | O2 | 75.2° | 175.0° |
| HB | CB | CA | C | 41.7° | 65.0° |
| HB | CB | CA | HA | 163.9° | 55.0° |
| HB | CB | N | H | 61.4° | 180.0° |
| HB | CB | N | H2 | 178.6° | 56.1° |
| HB | CB | C6 | C7 | 65.4° | 55.0° |
| HB | CB | C6 | H6 | 54.6° | 65.0° |
| HB | CB | C6 | H6A | 174.6° | 175.0° |
| O2 | CA | C | HA | 120.8° | 120.0° |
| O2 | CA | C | O | 124.6° | 5.0° |
| O2 | CA | C | OXT | 53.6° | 175.0° |
| C | CA | O2 | HO2 | 64.2° | 60.0° |
| CA | C | O | OXT | 178.2° | 180.0° |
| CA | C | OXT | HXT | 178.1° | 180.0° |
| HA | CA | O2 | HO2 | 58.1° | 180.0° |
| HA | CA | C | O | 3.8° | 125.0° |
| HA | CA | C | OXT | 174.5° | 55.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C7 | C6 | H6 | H6A | 117.4° | 120.0° |
| C6 | C7 | C8 | C12 | 178.2° | 179.8° |
| C6 | C7 | C8 | C9 | 175.3° | 180.0° |
| C6 | C7 | C8 | H8 | 4.6° | 0.0° |
| C6 | C7 | C12 | C11 | 176.0° | 179.8° |
| C6 | C7 | C12 | H12 | 4.0° | 0.0° |
| H6 | C6 | C7 | C8 | 115.2° | 150.3° |
| H6 | C6 | C7 | C12 | 62.9° | 30.0° |
| H6A | C6 | C7 | C8 | 4.8° | 30.2° |
| H6A | C6 | C7 | C12 | 177.1° | 150.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.8° | 0.0° |
| C7 | C8 | C9 | H9 | 178.2° | 180.0° |
| C8 | C7 | C12 | C11 | 2.2° | 0.4° |
| C8 | C7 | C12 | H12 | 177.8° | 179.8° |
| C12 | C7 | C8 | C9 | 2.9° | 0.2° |
| C12 | C7 | C8 | H8 | 177.1° | 179.8° |
| C7 | C12 | C11 | C10 | 0.5° | 0.4° |
| C7 | C12 | C11 | H12 | 180.0° | 179.8° |
| C7 | C12 | C11 | H11 | 179.5° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| H8 | C8 | C9 | C10 | 178.2° | 180.0° |
| H8 | C8 | C9 | H9 | 1.8° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.2° |
| C9 | C10 | C11 | H11 | 179.4° | 180.0° |
| H9 | C9 | C10 | C11 | 180.0° | 179.9° |
| H9 | C9 | C10 | H10 | 0.0° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | H12 | 179.5° | 179.8° |
| H10 | C10 | C11 | C12 | 179.4° | 179.9° |
| H10 | C10 | C11 | H11 | 0.6° | 0.0° |
| H11 | C11 | C12 | H12 | 0.5° | 0.1° |
