ACB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.35Å | |
| C | OXT | sing | 1.34Å | 1.19Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | C4 | sing | 1.53Å | 1.55Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | OD1 | doub | 1.21Å | 1.23Å | |
| CG | OD2 | sing | 1.34Å | 1.37Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| OD2 | HD2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 124.3° | 120.1° |
| O | C | CA | 110.9° | 120.0° |
| OXT | C | CA | 124.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | N | 109.8° | 109.5° |
| C | CA | CB | 109.6° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| N | CA | CB | 110.5° | 109.4° |
| N | CA | HA | 108.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CB | CA | HA | 108.8° | 109.4° |
| CA | CB | CG | 108.9° | 109.5° |
| CA | CB | C4 | 112.1° | 109.5° |
| CA | CB | HB3 | 108.1° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CG | CB | C4 | 109.6° | 109.5° |
| CG | CB | HB3 | 110.7° | 109.5° |
| CB | CG | OD1 | 121.5° | 120.0° |
| CB | CG | OD2 | 113.1° | 120.0° |
| C4 | CB | HB3 | 107.4° | 109.5° |
| CB | C4 | H41 | 109.5° | 109.5° |
| CB | C4 | H42 | 109.5° | 109.5° |
| CB | C4 | H43 | 109.5° | 109.4° |
| OD1 | CG | OD2 | 125.4° | 120.0° |
| CG | OD2 | HD2 | 109.5° | 117.0° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H41 | C4 | H43 | 109.5° | 109.4° |
| H42 | C4 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 175.5° | 179.8° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | N | 175.4° | 20.0° |
| O | C | CA | CB | 63.1° | 100.0° |
| O | C | CA | HA | 56.2° | 140.0° |
| OXT | C | CA | N | 8.6° | 160.3° |
| OXT | C | CA | CB | 112.9° | 79.7° |
| OXT | C | CA | HA | 127.8° | 40.2° |
| CA | C | OXT | HXT | 175.5° | 179.8° |
| C | CA | N | CB | 121.0° | 120.0° |
| C | CA | N | HA | 119.7° | 120.1° |
| C | CA | CB | HA | 119.7° | 120.0° |
| C | CA | N | H | 180.0° | 176.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | CG | 61.6° | 180.0° |
| C | CA | CB | C4 | 177.0° | 60.0° |
| C | CA | CB | HB3 | 58.8° | 60.0° |
| N | CA | CB | HA | 119.2° | 120.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | CG | 59.5° | 60.0° |
| N | CA | CB | C4 | 61.9° | 180.0° |
| N | CA | CB | HB3 | 179.9° | 60.0° |
| CB | CA | N | H | 59.0° | 64.0° |
| CB | CA | N | H2 | 61.0° | 60.0° |
| CA | CB | CG | C4 | 123.0° | 120.0° |
| CA | CB | CG | HB3 | 118.8° | 120.0° |
| CA | CB | C4 | HB3 | 118.7° | 120.0° |
| CA | CB | CG | OD1 | 57.2° | 0.1° |
| CA | CB | CG | OD2 | 121.4° | 180.0° |
| CA | CB | C4 | H41 | 180.0° | 59.9° |
| CA | CB | C4 | H42 | 60.0° | 180.0° |
| CA | CB | C4 | H43 | 60.0° | 60.0° |
| HA | CA | N | H | 60.3° | 56.0° |
| HA | CA | N | H2 | 179.7° | 179.9° |
| HA | CA | CB | CG | 178.7° | 60.0° |
| HA | CA | CB | C4 | 57.3° | 60.1° |
| HA | CA | CB | HB3 | 60.9° | 180.0° |
| CG | CB | C4 | HB3 | 120.3° | 120.0° |
| CB | CG | OD1 | OD2 | 178.3° | 180.0° |
| CG | CB | C4 | H41 | 58.9° | 180.0° |
| CG | CB | C4 | H42 | 61.0° | 60.0° |
| CG | CB | C4 | H43 | 179.0° | 60.0° |
| CB | CG | OD2 | HD2 | 178.5° | 180.0° |
| C4 | CB | CG | OD1 | 65.8° | 120.1° |
| C4 | CB | CG | OD2 | 115.7° | 60.0° |
| CB | C4 | H41 | H42 | 120.0° | 120.1° |
| CB | C4 | H41 | H43 | 120.0° | 120.0° |
| CB | C4 | H42 | H43 | 120.0° | 120.0° |
| HB3 | CB | CG | OD1 | 176.0° | 120.0° |
| HB3 | CB | CG | OD2 | 2.6° | 60.0° |
| HB3 | CB | C4 | H41 | 61.4° | 60.1° |
| HB3 | CB | C4 | H42 | 178.6° | 60.0° |
| HB3 | CB | C4 | H43 | 58.7° | 180.0° |
| OD1 | CG | OD2 | HD2 | 0.0° | 0.0° |
| H41 | C4 | H42 | H43 | 120.0° | 119.9° |
