AOR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N1 | sing | 1.46Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.50Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| NE | HNE1 | sing | 1.01Å | 1.00Å | |
| NE | HNE2 | sing | 1.01Å | 1.00Å | |
| N1 | C1 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | CA | CB | 111.0° | 109.4° |
| C | CA | N1 | 111.1° | 109.5° |
| C | CA | HA | 108.8° | 109.5° |
| CA | C | O | 118.9° | 120.0° |
| CA | C | OXT | 117.6° | 120.0° |
| CB | CA | N1 | 113.5° | 109.5° |
| CB | CA | HA | 106.2° | 109.5° |
| CA | CB | CG | 114.8° | 109.4° |
| CA | CB | HB1 | 106.5° | 109.5° |
| CA | CB | HB2 | 107.7° | 109.5° |
| N1 | CA | HA | 106.0° | 109.5° |
| CA | N1 | C1 | 121.8° | 120.0° |
| CA | N1 | HN1 | 119.1° | 120.0° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 109.5° | 120.0° |
| CG | CB | HB1 | 106.5° | 109.4° |
| CG | CB | HB2 | 107.7° | 109.4° |
| CB | CG | CD | 110.9° | 109.4° |
| CB | CG | HG1 | 108.7° | 109.4° |
| CB | CG | HG2 | 109.0° | 109.4° |
| HB1 | CB | HB2 | 113.8° | 109.5° |
| CD | CG | HG1 | 108.7° | 109.5° |
| CD | CG | HG2 | 109.0° | 109.5° |
| CG | CD | NE | 112.1° | 109.4° |
| CG | CD | HD1 | 108.0° | 109.5° |
| CG | CD | HD2 | 108.6° | 109.5° |
| HG1 | CG | HG2 | 110.7° | 109.5° |
| NE | CD | HD1 | 108.0° | 109.4° |
| NE | CD | HD2 | 108.6° | 109.5° |
| CD | NE | HNE1 | 109.5° | 106.7° |
| CD | NE | HNE2 | 109.5° | 106.7° |
| HD1 | CD | HD2 | 111.5° | 109.5° |
| HNE1 | NE | HNE2 | 109.5° | 106.8° |
| C1 | N1 | HN1 | 119.1° | 120.0° |
| N1 | C1 | O1 | 122.0° | 120.0° |
| N1 | C1 | C2 | 114.3° | 120.0° |
| O1 | C1 | C2 | 123.7° | 120.0° |
| C1 | C2 | H21 | 109.5° | 109.5° |
| C1 | C2 | H22 | 109.4° | 109.5° |
| C1 | C2 | H23 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | CB | N1 | 125.9° | 120.0° |
| C | CA | CB | HA | 118.0° | 120.0° |
| C | CA | N1 | HA | 118.0° | 120.0° |
| CA | C | O | OXT | 179.7° | 180.0° |
| CA | C | OXT | HXT | 179.7° | 180.0° |
| C | CA | CB | CG | 57.6° | 175.0° |
| C | CA | CB | HB1 | 175.2° | 65.0° |
| C | CA | CB | HB2 | 62.4° | 55.0° |
| C | CA | N1 | C1 | 95.8° | 85.0° |
| C | CA | N1 | HN1 | 84.2° | 95.0° |
| CB | CA | N1 | HA | 116.1° | 120.0° |
| CB | CA | C | O | 36.0° | 120.0° |
| CB | CA | C | OXT | 144.3° | 60.0° |
| CA | CB | CG | HB1 | 117.6° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 118.5° | 120.1° |
| CA | CB | CG | CD | 174.1° | 180.0° |
| CA | CB | CG | HG1 | 54.7° | 60.0° |
| CA | CB | CG | HG2 | 65.9° | 60.0° |
| CB | CA | N1 | C1 | 138.4° | 155.1° |
| CB | CA | N1 | HN1 | 41.7° | 25.0° |
| N1 | CA | C | O | 163.2° | 0.0° |
| N1 | CA | C | OXT | 17.1° | 180.0° |
| N1 | CA | CB | CG | 68.3° | 65.0° |
| N1 | CA | CB | HB1 | 49.3° | 55.0° |
| N1 | CA | CB | HB2 | 171.7° | 175.0° |
| CA | N1 | C1 | HN1 | 180.0° | 179.9° |
| CA | N1 | C1 | O1 | 9.5° | 0.0° |
| CA | N1 | C1 | C2 | 170.4° | 180.0° |
| HA | CA | C | O | 80.4° | 120.0° |
| HA | CA | C | OXT | 99.3° | 60.0° |
| HA | CA | CB | CG | 175.6° | 55.0° |
| HA | CA | CB | HB1 | 66.8° | 175.0° |
| HA | CA | CB | HB2 | 55.7° | 65.0° |
| HA | CA | N1 | C1 | 22.2° | 35.0° |
| HA | CA | N1 | HN1 | 157.8° | 145.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CB | HB1 | HB2 | 118.5° | 120.0° |
| CB | CG | CD | HG1 | 119.4° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | HG1 | HG2 | 119.6° | 120.0° |
| CB | CG | CD | NE | 69.4° | 180.0° |
| CB | CG | CD | HD1 | 49.5° | 60.0° |
| CB | CG | CD | HD2 | 170.6° | 60.0° |
| HB1 | CB | CG | CD | 68.3° | 60.0° |
| HB1 | CB | CG | HG1 | 172.3° | NaN° |
| HB1 | CB | CG | HG2 | 51.7° | 60.0° |
| HB2 | CB | CG | CD | 54.1° | 60.0° |
| HB2 | CB | CG | HG1 | 65.3° | 60.0° |
| HB2 | CB | CG | HG2 | 174.1° | 180.0° |
| CD | CG | HG1 | HG2 | 119.6° | 120.1° |
| CG | CD | NE | HD1 | 118.9° | 120.0° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | HD1 | HD2 | 119.3° | 120.1° |
| CG | CD | NE | HNE1 | 69.4° | 66.2° |
| CG | CD | NE | HNE2 | 50.6° | 180.0° |
| HG1 | CG | CD | NE | 171.2° | 60.0° |
| HG1 | CG | CD | HD1 | 69.9° | 180.0° |
| HG1 | CG | CD | HD2 | 51.2° | 60.0° |
| HG2 | CG | CD | NE | 50.6° | 60.0° |
| HG2 | CG | CD | HD1 | 169.5° | 59.9° |
| HG2 | CG | CD | HD2 | 69.4° | 180.0° |
| NE | CD | HD1 | HD2 | 119.3° | 120.0° |
| CD | NE | HNE1 | HNE2 | 120.1° | 113.8° |
| HD1 | CD | NE | HNE1 | 171.7° | 53.8° |
| HD1 | CD | NE | HNE2 | 68.3° | 60.0° |
| HD2 | CD | NE | HNE1 | 50.6° | 173.8° |
| HD2 | CD | NE | HNE2 | 170.6° | 60.0° |
| N1 | C1 | O1 | C2 | 179.9° | 180.0° |
| N1 | C1 | C2 | H21 | 120.0° | 90.1° |
| N1 | C1 | C2 | H22 | 0.0° | 29.9° |
| N1 | C1 | C2 | H23 | 120.0° | 149.9° |
| HN1 | N1 | C1 | O1 | 170.5° | 180.0° |
| HN1 | N1 | C1 | C2 | 9.6° | 0.1° |
| O1 | C1 | C2 | H21 | 59.9° | 90.0° |
| O1 | C1 | C2 | H22 | 179.9° | 150.0° |
| O1 | C1 | C2 | H23 | 60.1° | 30.0° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H23 | 120.1° | 120.0° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
