Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.42Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.66Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | CG | sing | 1.53Å | 1.42Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD | sing | 1.53Å | 1.51Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CD | CE | sing | 1.53Å | 1.46Å | |
| CD | HD1 | sing | 1.09Å | 1.12Å | |
| CD | HD2 | sing | 1.09Å | 1.12Å | |
| CE | NZ | sing | 1.47Å | 1.41Å | |
| CE | HE1 | sing | 1.09Å | 1.12Å | |
| CE | HE2 | sing | 1.09Å | 1.11Å | |
| NZ | CH1 | sing | 1.47Å | 1.35Å | |
| NZ | CH2 | sing | 1.47Å | 1.34Å | |
| CH1 | HH11 | sing | 1.09Å | 1.11Å | |
| CH1 | HH12 | sing | 1.09Å | 1.12Å | |
| CH1 | HH13 | sing | 1.09Å | 1.11Å | |
| CH2 | HH21 | sing | 1.09Å | 1.11Å | |
| CH2 | HH22 | sing | 1.09Å | 1.11Å | |
| CH2 | HH23 | sing | 1.09Å | 1.11Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 106.2° | 106.8° |
| CA | N | HN2 | 113.5° | 106.7° |
| N | CA | C | 106.2° | 109.5° |
| N | CA | CB | 108.6° | 109.4° |
| N | CA | HA | 112.1° | 109.4° |
| H | N | HN2 | 113.4° | 106.7° |
| C | CA | CB | 109.2° | 109.6° |
| C | CA | HA | 111.5° | 109.5° |
| CA | C | O | 118.6° | 120.0° |
| CA | C | OXT | 125.9° | 120.1° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | CG | 112.6° | 109.5° |
| CA | CB | HB1 | 111.1° | 109.4° |
| CA | CB | HB2 | 111.1° | 109.4° |
| O | C | OXT | 115.5° | 119.9° |
| C | OXT | HXT | 125.9° | 120.1° |
| CG | CB | HB1 | 111.0° | 109.5° |
| CG | CB | HB2 | 111.1° | 109.5° |
| CB | CG | CD | 109.0° | 109.5° |
| CB | CG | HG1 | 112.4° | 109.5° |
| CB | CG | HG2 | 112.4° | 109.5° |
| HB1 | CB | HB2 | 99.3° | 109.5° |
| CD | CG | HG1 | 112.4° | 109.4° |
| CD | CG | HG2 | 112.4° | 109.4° |
| CG | CD | CE | 108.5° | 109.6° |
| CG | CD | HD1 | 112.6° | 109.4° |
| CG | CD | HD2 | 112.6° | 109.4° |
| HG1 | CG | HG2 | 98.0° | 109.5° |
| CE | CD | HD1 | 112.6° | 109.5° |
| CE | CD | HD2 | 112.5° | 109.5° |
| CD | CE | NZ | 110.2° | 109.5° |
| CD | CE | HE1 | 111.9° | 109.4° |
| CD | CE | HE2 | 111.9° | 109.5° |
| HD1 | CD | HD2 | 97.8° | 109.4° |
| NZ | CE | HE1 | 111.9° | 109.4° |
| NZ | CE | HE2 | 111.9° | 109.5° |
| CE | NZ | CH1 | 105.5° | 106.8° |
| CE | NZ | CH2 | 107.0° | 106.8° |
| HE1 | CE | HE2 | 98.5° | 109.4° |
| CH1 | NZ | CH2 | 116.3° | 106.7° |
| NZ | CH1 | HH11 | 105.6° | 109.5° |
| NZ | CH1 | HH12 | 113.7° | 109.5° |
| NZ | CH1 | HH13 | 113.7° | 109.4° |
| NZ | CH2 | HH21 | 107.0° | 109.5° |
| NZ | CH2 | HH22 | 113.1° | 109.5° |
| NZ | CH2 | HH23 | 113.1° | 109.5° |
| HH11 | CH1 | HH12 | 113.6° | 109.5° |
| HH11 | CH1 | HH13 | 113.7° | 109.4° |
| HH12 | CH1 | HH13 | 96.8° | 109.5° |
| HH21 | CH2 | HH22 | 113.2° | 109.5° |
| HH21 | CH2 | HH23 | 113.2° | 109.5° |
| HH22 | CH2 | HH23 | 97.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | HN2 | 125.2° | 113.8° |
| N | CA | C | CB | 116.9° | 120.0° |
| N | CA | C | HA | 122.3° | 119.9° |
| N | CA | CB | HA | 122.5° | 119.9° |
| N | CA | C | O | 3.4° | 30.1° |
| N | CA | C | OXT | 177.6° | 150.0° |
| N | CA | CB | CG | 92.7° | 59.9° |
| N | CA | CB | HB1 | 32.6° | 180.0° |
| N | CA | CB | HB2 | 142.1° | 60.0° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | CB | 62.7° | 53.7° |
| H | N | CA | HA | 58.1° | 66.3° |
| HN2 | N | CA | C | 54.8° | 60.0° |
| HN2 | N | CA | CB | 62.5° | 60.1° |
| HN2 | N | CA | HA | 176.7° | 180.0° |
| C | CA | CB | HA | 122.2° | 120.0° |
| CA | C | O | OXT | 179.1° | 179.9° |
| C | CA | CB | CG | 152.0° | 180.0° |
| C | CA | CB | HB1 | 82.8° | 59.9° |
| C | CA | CB | HB2 | 26.7° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| CB | CA | C | O | 120.3° | 89.9° |
| CB | CA | C | OXT | 60.7° | 89.9° |
| CA | CB | CG | HB1 | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 117.0° | 119.9° |
| CA | CB | CG | CD | 51.4° | 180.0° |
| CA | CB | CG | HG1 | 176.6° | 60.0° |
| CA | CB | CG | HG2 | 73.9° | 60.0° |
| HA | CA | C | O | 118.9° | 150.0° |
| HA | CA | C | OXT | 60.1° | 30.1° |
| HA | CA | CB | CG | 29.8° | 60.0° |
| HA | CA | CB | HB1 | 155.0° | 60.1° |
| HA | CA | CB | HB2 | 95.4° | 180.0° |
| O | C | OXT | HXT | 1.0° | 0.1° |
| CG | CB | HB1 | HB2 | 116.9° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 120.1° |
| CB | CG | CD | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 118.3° | 120.0° |
| CB | CG | CD | CE | 137.3° | 180.0° |
| CB | CG | CD | HD1 | 12.0° | 59.9° |
| CB | CG | CD | HD2 | 97.5° | 60.0° |
| HB1 | CB | CG | CD | 73.9° | 60.0° |
| HB1 | CB | CG | HG1 | 51.4° | 180.0° |
| HB1 | CB | CG | HG2 | 160.9° | 60.0° |
| HB2 | CB | CG | CD | 176.7° | 60.1° |
| HB2 | CB | CG | HG1 | 58.1° | 60.0° |
| HB2 | CB | CG | HG2 | 51.4° | 180.0° |
| CD | CG | HG1 | HG2 | 118.3° | 119.9° |
| CG | CD | CE | HD1 | 125.3° | 120.1° |
| CG | CD | CE | HD2 | 125.3° | 120.0° |
| CG | CD | HD1 | HD2 | 118.5° | 119.9° |
| CG | CD | CE | NZ | 126.4° | 179.9° |
| CG | CD | CE | HE1 | 108.4° | 60.0° |
| CG | CD | CE | HE2 | 1.1° | 60.0° |
| HG1 | CG | CD | CE | 97.5° | 59.9° |
| HG1 | CG | CD | HD1 | 137.2° | 180.0° |
| HG1 | CG | CD | HD2 | 27.8° | 60.1° |
| HG2 | CG | CD | CE | 12.0° | 60.0° |
| HG2 | CG | CD | HD1 | 113.3° | 60.1° |
| HG2 | CG | CD | HD2 | 137.2° | 180.0° |
| CE | CD | HD1 | HD2 | 118.4° | 120.0° |
| CD | CE | NZ | HE1 | 125.2° | 120.0° |
| CD | CE | NZ | HE2 | 125.2° | 120.1° |
| CD | CE | HE1 | HE2 | 117.9° | 120.0° |
| CD | CE | NZ | CH1 | 134.8° | 180.0° |
| CD | CE | NZ | CH2 | 100.8° | 66.2° |
| HD1 | CD | CE | NZ | 1.1° | 60.0° |
| HD1 | CD | CE | HE1 | 126.3° | 180.0° |
| HD1 | CD | CE | HE2 | 124.2° | 60.1° |
| HD2 | CD | CE | NZ | 108.3° | 59.9° |
| HD2 | CD | CE | HE1 | 16.9° | 60.1° |
| HD2 | CD | CE | HE2 | 126.4° | 180.0° |
| NZ | CE | HE1 | HE2 | 117.9° | 120.0° |
| CE | NZ | CH1 | CH2 | 118.4° | 113.9° |
| CE | NZ | CH1 | HH11 | 180.0° | 180.0° |
| CE | NZ | CH1 | HH12 | 54.8° | 59.9° |
| CE | NZ | CH1 | HH13 | 54.7° | 60.1° |
| CE | NZ | CH2 | HH21 | 180.0° | 66.2° |
| CE | NZ | CH2 | HH22 | 54.7° | 173.8° |
| CE | NZ | CH2 | HH23 | 54.7° | 53.8° |
| HE1 | CE | NZ | CH1 | 9.5° | 60.1° |
| HE1 | CE | NZ | CH2 | 134.0° | 53.8° |
| HE2 | CE | NZ | CH1 | 100.0° | 59.9° |
| HE2 | CE | NZ | CH2 | 24.4° | 173.7° |
| NZ | CH1 | HH11 | HH12 | 125.2° | 120.1° |
| NZ | CH1 | HH11 | HH13 | 125.3° | 119.9° |
| NZ | CH1 | HH12 | HH13 | 119.6° | 120.0° |
| CH1 | NZ | CH2 | HH21 | 62.4° | 179.9° |
| CH1 | NZ | CH2 | HH22 | 62.9° | 59.9° |
| CH1 | NZ | CH2 | HH23 | 172.4° | 60.1° |
| CH2 | NZ | CH1 | HH11 | 61.6° | 66.1° |
| CH2 | NZ | CH1 | HH12 | 173.2° | 173.8° |
| CH2 | NZ | CH1 | HH13 | 63.7° | 53.8° |
| NZ | CH2 | HH21 | HH22 | 125.2° | 120.0° |
| NZ | CH2 | HH21 | HH23 | 125.2° | 120.0° |
| NZ | CH2 | HH22 | HH23 | 119.0° | 120.0° |
| HH11 | CH1 | HH12 | HH13 | 119.6° | 119.9° |
| HH21 | CH2 | HH22 | HH23 | 119.1° | 120.0° |






