Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CD | sing | 1.48Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.49Å | 1.47Å | |
| CA | CB | sing | 1.55Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.55Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.54Å | 1.54Å | |
| CG | F1 | sing | 1.40Å | 1.36Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| F2 | CG | sing | 1.40Å | 1.36Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD | N | H | 108.9° | 111.0° |
| N | CD | HD | 112.2° | 109.9° |
| N | CD | HDA | 113.9° | 109.9° |
| CD | N | CA | 111.4° | 105.8° |
| N | CD | CG | 101.5° | 107.0° |
| H | N | CA | 108.8° | 111.0° |
| HD | CD | HDA | 103.5° | 110.0° |
| HD | CD | CG | 112.2° | 109.9° |
| HDA | CD | CG | 113.9° | 110.1° |
| N | CA | CB | 103.0° | 103.3° |
| N | CA | HA | 112.5° | 110.7° |
| N | CA | C | 112.8° | 110.7° |
| CB | CA | HA | 113.3° | 110.6° |
| CA | CB | CG | 104.2° | 102.9° |
| CA | CB | HB | 111.3° | 110.7° |
| CA | CB | HBA | 112.4° | 110.8° |
| CB | CA | C | 112.0° | 110.6° |
| HA | CA | C | 103.5° | 110.7° |
| CG | CB | HB | 111.3° | 110.7° |
| CG | CB | HBA | 112.4° | 110.7° |
| CB | CG | CD | 108.4° | 105.2° |
| CB | CG | F1 | 109.5° | 110.3° |
| CB | CG | F2 | 109.0° | 110.3° |
| HB | CB | HBA | 105.5° | 110.8° |
| CD | CG | F1 | 109.5° | 110.3° |
| CD | CG | F2 | 109.9° | 110.3° |
| F1 | CG | F2 | 110.4° | 110.3° |
| CA | C | O | 121.0° | 120.0° |
| CA | C | OXT | 119.4° | 120.0° |
| O | C | OXT | 119.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD | N | H | CA | 121.6° | 117.4° |
| N | CD | HD | HDA | 123.2° | 121.1° |
| N | CD | HD | CG | 113.5° | 117.5° |
| N | CD | HDA | CG | 115.8° | 117.6° |
| CD | N | CA | CB | 35.5° | 39.2° |
| CD | N | CA | HA | 157.9° | 79.2° |
| N | CD | CG | CB | 4.4° | 1.2° |
| N | CD | CG | F1 | 115.1° | 120.1° |
| CD | N | CA | C | 85.4° | 157.6° |
| N | CD | CG | F2 | 123.4° | 117.7° |
| H | N | CD | HD | 95.3° | 145.5° |
| H | N | CD | HDA | 21.9° | 24.3° |
| H | N | CA | CB | 155.6° | 81.3° |
| H | N | CA | HA | 82.1° | 160.3° |
| H | N | CD | CG | 144.7° | 95.2° |
| H | N | CA | C | 34.6° | 37.1° |
| HD | CD | HDA | CG | 122.1° | 121.3° |
| HD | CD | N | CA | 144.7° | 94.0° |
| HD | CD | CG | CB | 124.4° | 118.1° |
| HD | CD | CG | F1 | 4.9° | 0.8° |
| HD | CD | CG | F2 | 116.6° | 123.0° |
| HDA | CD | N | CA | 98.1° | 144.8° |
| HDA | CD | CG | CB | 118.5° | 120.6° |
| HDA | CD | CG | F1 | 122.1° | 120.5° |
| HDA | CD | CG | F2 | 0.6° | 1.7° |
| N | CA | CB | HA | 121.8° | 118.4° |
| N | CA | CB | C | 121.6° | 118.5° |
| N | CA | HA | C | 122.1° | 123.2° |
| N | CA | CB | CG | 29.8° | 37.4° |
| N | CA | CB | HB | 149.8° | 80.9° |
| N | CA | CB | HBA | 92.2° | 155.7° |
| CA | N | CD | CG | 24.7° | 25.3° |
| N | CA | C | O | 1.3° | 18.5° |
| N | CA | C | OXT | 178.6° | 161.4° |
| CB | CA | HA | C | 121.5° | 123.0° |
| CA | CB | CG | HB | 120.0° | 118.4° |
| CA | CB | CG | HBA | 122.0° | 118.4° |
| CA | CB | HB | HBA | 122.1° | 123.3° |
| CA | CB | CG | CD | 15.9° | 22.0° |
| CA | CB | CG | F1 | 135.4° | 97.0° |
| CB | CA | C | O | 117.1° | 95.3° |
| CB | CA | C | OXT | 62.9° | 84.8° |
| CA | CB | CG | F2 | 103.7° | 140.9° |
| HA | CA | CB | CG | 151.6° | 81.0° |
| HA | CA | CB | HB | 88.4° | 160.6° |
| HA | CA | CB | HBA | 29.6° | 37.3° |
| HA | CA | C | O | 120.5° | 141.6° |
| HA | CA | C | OXT | 59.5° | 38.3° |
| CG | CB | HB | HBA | 122.2° | 123.2° |
| CB | CG | CD | F1 | 119.4° | 118.9° |
| CB | CG | CD | F2 | 119.1° | 118.9° |
| CB | CG | F1 | F2 | 120.1° | 122.1° |
| CG | CB | CA | C | 91.8° | 155.9° |
| HB | CB | CG | CD | 135.9° | 96.4° |
| HB | CB | CG | F1 | 104.6° | 144.7° |
| HB | CB | CA | C | 28.2° | 37.5° |
| HB | CB | CG | F2 | 16.3° | 22.5° |
| HBA | CB | CG | CD | 106.0° | 140.3° |
| HBA | CB | CG | F1 | 13.4° | 21.4° |
| HBA | CB | CA | C | 146.2° | 85.8° |
| HBA | CB | CG | F2 | 134.4° | 100.7° |
| CD | CG | F1 | F2 | 121.1° | 122.1° |
| CA | C | O | OXT | 180.0° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
