M2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | SG | sing | 1.81Å | 1.80Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| SG | CD | sing | 1.81Å | 1.82Å | |
| CD | CE | sing | 1.53Å | 1.58Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| NZ | CE | sing | 1.47Å | 1.53Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CM1 | NZ | sing | 1.47Å | 1.55Å | |
| NZ | CM2 | sing | 1.47Å | 1.58Å | |
| CM1 | HM1 | sing | 1.09Å | 1.10Å | |
| CM1 | HM1A | sing | 1.09Å | 1.10Å | |
| CM1 | HM1B | sing | 1.09Å | 1.10Å | |
| CM2 | HM2 | sing | 1.09Å | 1.10Å | |
| CM2 | HM2A | sing | 1.09Å | 1.10Å | |
| CM2 | HM2B | sing | 1.09Å | 1.10Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| N | CA | C | 103.5° | 109.5° |
| N | CA | CB | 114.3° | 109.4° |
| N | CA | HA | 109.8° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| C | CA | CB | 107.6° | 109.5° |
| C | CA | HA | 116.2° | 109.5° |
| CA | C | O | 121.7° | 120.0° |
| CA | C | OXT | 115.4° | 120.0° |
| CB | CA | HA | 105.8° | 109.4° |
| CA | CB | SG | 109.8° | 109.5° |
| CA | CB | HB | 109.3° | 109.5° |
| CA | CB | HBA | 109.3° | 109.5° |
| SG | CB | HB | 109.4° | 109.4° |
| SG | CB | HBA | 109.3° | 109.5° |
| CB | SG | CD | 99.2° | 103.0° |
| HB | CB | HBA | 109.7° | 109.5° |
| SG | CD | CE | 107.9° | 109.5° |
| SG | CD | HD | 110.0° | 109.5° |
| SG | CD | HDA | 110.4° | 109.5° |
| CE | CD | HD | 110.0° | 109.4° |
| CE | CD | HDA | 110.3° | 109.5° |
| CD | CE | NZ | 108.0° | 109.5° |
| CD | CE | HE | 110.0° | 109.5° |
| CD | CE | HEA | 110.3° | 109.5° |
| HD | CD | HDA | 108.3° | 109.4° |
| NZ | CE | HE | 110.0° | 109.4° |
| NZ | CE | HEA | 110.3° | 109.5° |
| CE | NZ | CM1 | 132.3° | 111.0° |
| CE | NZ | CM2 | 119.9° | 111.0° |
| HE | CE | HEA | 108.3° | 109.4° |
| CM1 | NZ | CM2 | 107.7° | 111.0° |
| NZ | CM1 | HM1 | 109.5° | 109.5° |
| NZ | CM1 | HM1A | 109.5° | 109.5° |
| NZ | CM1 | HM1B | 109.4° | 109.5° |
| NZ | CM2 | HM2 | 109.5° | 109.5° |
| NZ | CM2 | HM2A | 109.5° | 109.5° |
| NZ | CM2 | HM2B | 109.4° | 109.4° |
| HM1 | CM1 | HM1A | 109.5° | 109.5° |
| HM1 | CM1 | HM1B | 109.5° | 109.4° |
| HM1A | CM1 | HM1B | 109.5° | 109.5° |
| HM2 | CM2 | HM2A | 109.4° | 109.5° |
| HM2 | CM2 | HM2B | 109.4° | 109.5° |
| HM2A | CM2 | HM2B | 109.5° | 109.4° |
| O | C | OXT | 122.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | CB | 121.3° | 120.0° |
| N | CA | C | HA | 120.4° | 120.1° |
| N | CA | CB | HA | 120.9° | 120.0° |
| N | CA | CB | SG | 106.6° | 60.0° |
| N | CA | CB | HB | 13.5° | 60.0° |
| N | CA | CB | HBA | 133.6° | 180.0° |
| N | CA | C | O | 7.3° | 19.9° |
| N | CA | C | OXT | 171.8° | 160.0° |
| H | N | CA | C | 4.5° | 64.0° |
| H | N | CA | CB | 112.2° | 176.0° |
| H | N | CA | HA | 129.2° | 56.0° |
| H2 | N | CA | C | 124.5° | 60.0° |
| H2 | N | CA | CB | 7.8° | 60.0° |
| H2 | N | CA | HA | 110.9° | 180.0° |
| C | CA | CB | HA | 124.8° | 120.0° |
| C | CA | CB | SG | 139.1° | 180.0° |
| C | CA | CB | HB | 100.9° | 60.0° |
| C | CA | CB | HBA | 19.2° | 60.0° |
| CA | C | O | OXT | 179.0° | 180.0° |
| CA | C | OXT | HXT | 179.1° | 180.0° |
| CA | CB | SG | HB | 120.0° | 120.0° |
| CA | CB | SG | HBA | 119.9° | 120.0° |
| CA | CB | HB | HBA | 119.8° | 120.0° |
| CA | CB | SG | CD | 80.1° | 180.0° |
| CB | CA | C | O | 114.0° | 100.0° |
| CB | CA | C | OXT | 66.9° | 80.0° |
| HA | CA | CB | SG | 14.3° | 60.0° |
| HA | CA | CB | HB | 134.3° | 180.0° |
| HA | CA | CB | HBA | 105.6° | 60.0° |
| HA | CA | C | O | 127.6° | 140.0° |
| HA | CA | C | OXT | 51.4° | 40.0° |
| SG | CB | HB | HBA | 119.9° | 120.0° |
| CB | SG | CD | CE | 158.9° | 180.0° |
| CB | SG | CD | HD | 38.9° | 60.0° |
| CB | SG | CD | HDA | 80.5° | 59.9° |
| HB | CB | SG | CD | 160.0° | 60.0° |
| HBA | CB | SG | CD | 39.8° | 60.0° |
| SG | CD | CE | HD | 120.0° | 120.0° |
| SG | CD | CE | HDA | 120.6° | 120.0° |
| SG | CD | HD | HDA | 120.7° | 120.0° |
| SG | CD | CE | NZ | 61.2° | 180.0° |
| SG | CD | CE | HE | 58.8° | 60.0° |
| SG | CD | CE | HEA | 178.2° | 60.0° |
| CE | CD | HD | HDA | 120.6° | 120.0° |
| CD | CE | NZ | HE | 120.0° | 120.0° |
| CD | CE | NZ | HEA | 120.6° | 120.1° |
| CD | CE | HE | HEA | 120.6° | 120.0° |
| CD | CE | NZ | CM1 | 0.2° | 66.0° |
| CD | CE | NZ | CM2 | 178.2° | 170.0° |
| HD | CD | CE | NZ | 178.8° | 60.0° |
| HD | CD | CE | HE | 61.2° | 180.0° |
| HD | CD | CE | HEA | 58.2° | 60.1° |
| HDA | CD | CE | NZ | 59.4° | 59.9° |
| HDA | CD | CE | HE | 179.4° | 60.0° |
| HDA | CD | CE | HEA | 61.2° | 180.0° |
| NZ | CE | HE | HEA | 120.6° | 120.0° |
| CE | NZ | CM1 | CM2 | 178.2° | 124.0° |
| CE | NZ | CM1 | HM1 | 15.3° | 60.0° |
| CE | NZ | CM1 | HM1A | 104.7° | 180.0° |
| CE | NZ | CM1 | HM1B | 135.3° | 60.0° |
| CE | NZ | CM2 | HM2 | 170.2° | 59.9° |
| CE | NZ | CM2 | HM2A | 50.2° | 180.0° |
| CE | NZ | CM2 | HM2B | 69.8° | 60.1° |
| HE | CE | NZ | CM1 | 120.2° | 54.0° |
| HE | CE | NZ | CM2 | 61.7° | 70.0° |
| HEA | CE | NZ | CM1 | 120.4° | 173.9° |
| HEA | CE | NZ | CM2 | 57.7° | 49.9° |
| NZ | CM1 | HM1 | HM1A | 120.0° | 120.0° |
| NZ | CM1 | HM1 | HM1B | 120.0° | 120.0° |
| NZ | CM1 | HM1A | HM1B | 120.0° | 120.0° |
| CM1 | NZ | CM2 | HM2 | 11.3° | 176.1° |
| CM1 | NZ | CM2 | HM2A | 131.3° | 56.0° |
| CM1 | NZ | CM2 | HM2B | 108.7° | 63.9° |
| CM2 | NZ | CM1 | HM1 | 162.9° | 64.0° |
| CM2 | NZ | CM1 | HM1A | 77.1° | 56.0° |
| CM2 | NZ | CM1 | HM1B | 42.9° | 176.0° |
| NZ | CM2 | HM2 | HM2A | 120.0° | 120.1° |
| NZ | CM2 | HM2 | HM2B | 120.0° | 120.0° |
| NZ | CM2 | HM2A | HM2B | 120.0° | 120.0° |
| HM1 | CM1 | HM1A | HM1B | 120.0° | 119.9° |
| HM2 | CM2 | HM2A | HM2B | 120.0° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
