INF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.47Å | |
| N | C1 | sing | 1.35Å | 1.35Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.19Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.43Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.42Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.42Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.42Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.38Å | 1.42Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C1 | N2 | sing | 1.35Å | 1.34Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| N2 | O2 | sing | 1.42Å | 1.41Å | |
| N2 | H2N | sing | 0.97Å | 1.02Å | |
| O2 | H2O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C1 | 124.1° | 120.0° |
| CA | N | H | 107.0° | 120.0° |
| N | CA | C | 108.7° | 109.5° |
| N | CA | CB | 111.1° | 109.5° |
| N | CA | HA | 109.3° | 109.4° |
| C1 | N | H | 107.0° | 120.0° |
| N | C1 | N2 | 112.8° | 120.0° |
| N | C1 | O1 | 124.5° | 120.0° |
| C | CA | CB | 110.6° | 109.5° |
| C | CA | HA | 109.7° | 109.4° |
| CA | C | O | 123.8° | 120.1° |
| CA | C | OXT | 113.4° | 120.0° |
| CB | CA | HA | 107.4° | 109.5° |
| CA | CB | CG | 116.9° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.5° |
| O | C | OXT | 122.7° | 120.0° |
| C | OXT | HXT | 113.5° | 120.0° |
| CG | CB | HB1 | 109.5° | 109.5° |
| CG | CB | HB2 | 109.5° | 109.5° |
| CB | CG | CD1 | 120.0° | 120.0° |
| CB | CG | CD2 | 121.6° | 120.0° |
| HB1 | CB | HB2 | 100.7° | 109.5° |
| CD1 | CG | CD2 | 118.4° | 120.0° |
| CG | CD1 | CE1 | 121.0° | 120.0° |
| CG | CD1 | HD1 | 119.9° | 120.0° |
| CG | CD2 | CE2 | 120.7° | 120.0° |
| CG | CD2 | HD2 | 119.8° | 120.0° |
| CE1 | CD1 | HD1 | 119.0° | 120.1° |
| CD1 | CE1 | CZ | 120.0° | 120.0° |
| CD1 | CE1 | HE1 | 119.9° | 120.0° |
| CE2 | CD2 | HD2 | 119.5° | 120.0° |
| CD2 | CE2 | CZ | 120.2° | 120.0° |
| CD2 | CE2 | HE2 | 119.9° | 119.9° |
| CZ | CE1 | HE1 | 120.1° | 120.0° |
| CE1 | CZ | CE2 | 119.7° | 120.0° |
| CE1 | CZ | HZ | 120.1° | 120.0° |
| CZ | CE2 | HE2 | 119.9° | 120.1° |
| CE2 | CZ | HZ | 120.2° | 120.0° |
| N2 | C1 | O1 | 122.7° | 120.0° |
| C1 | N2 | O2 | 120.2° | 120.1° |
| C1 | N2 | H2N | 117.6° | 119.9° |
| O2 | N2 | H2N | 122.3° | 120.0° |
| N2 | O2 | H2O | 120.2° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C1 | H | 125.2° | 179.9° |
| N | CA | C | CB | 122.2° | 120.1° |
| N | CA | C | HA | 119.5° | 119.9° |
| N | CA | CB | HA | 119.5° | 120.0° |
| N | CA | C | O | 165.7° | 150.0° |
| N | CA | C | OXT | 15.0° | 30.0° |
| N | CA | CB | CG | 53.6° | 60.0° |
| N | CA | CB | HB1 | 71.7° | 180.0° |
| N | CA | CB | HB2 | 178.8° | 60.0° |
| CA | N | C1 | N2 | 179.6° | 180.0° |
| CA | N | C1 | O1 | 0.1° | 0.1° |
| C1 | N | CA | C | 116.2° | 89.9° |
| C1 | N | CA | CB | 121.8° | 150.0° |
| C1 | N | CA | HA | 3.5° | 30.0° |
| N | C1 | N2 | O1 | 179.7° | 179.9° |
| N | C1 | N2 | O2 | 0.2° | 180.0° |
| N | C1 | N2 | H2N | 179.8° | 0.1° |
| H | N | CA | C | 9.0° | 90.0° |
| H | N | CA | CB | 113.0° | 30.0° |
| H | N | CA | HA | 128.7° | 150.0° |
| H | N | C1 | N2 | 55.2° | 0.1° |
| H | N | C1 | O1 | 125.1° | 180.0° |
| C | CA | CB | HA | 119.7° | 120.0° |
| CA | C | O | OXT | 179.2° | 180.0° |
| C | CA | CB | CG | 67.2° | 180.0° |
| C | CA | CB | HB1 | 167.5° | 59.9° |
| C | CA | CB | HB2 | 58.0° | 60.1° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 72.1° | 89.9° |
| CB | CA | C | OXT | 107.2° | 90.0° |
| CA | CB | CG | HB1 | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 115.3° | 120.0° |
| CA | CB | CG | CD1 | 96.0° | 90.0° |
| CA | CB | CG | CD2 | 84.0° | 90.2° |
| HA | CA | C | O | 46.2° | 30.1° |
| HA | CA | C | OXT | 134.5° | 150.0° |
| HA | CA | CB | CG | 173.0° | 60.0° |
| HA | CA | CB | HB1 | 47.8° | 60.0° |
| HA | CA | CB | HB2 | 61.7° | 180.0° |
| O | C | OXT | HXT | 0.7° | 0.0° |
| CG | CB | HB1 | HB2 | 115.3° | 120.0° |
| CB | CG | CD1 | CD2 | 180.0° | 179.7° |
| CB | CG | CD1 | CE1 | 179.9° | 180.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.0° |
| CB | CG | CD2 | CE2 | 179.8° | 179.8° |
| CB | CG | CD2 | HD2 | 0.1° | 0.2° |
| HB1 | CB | CG | CD1 | 138.8° | 30.0° |
| HB1 | CB | CG | CD2 | 41.2° | 149.7° |
| HB2 | CB | CG | CD1 | 29.3° | 150.0° |
| HB2 | CB | CG | CD2 | 150.8° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.5° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CG | CD1 | CE1 | HE1 | 180.0° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.8° |
| CG | CD2 | CE2 | HD2 | 179.9° | 179.6° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.4° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 180.0° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.0° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 179.9° | 179.8° |
| CD2 | CE2 | CZ | HZ | 179.8° | 179.8° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.2° |
| CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.1° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.1° | 0.0° |
| C1 | N2 | O2 | H2N | 180.0° | 179.9° |
| C1 | N2 | O2 | H2O | 180.0° | 180.0° |
| O1 | C1 | N2 | O2 | 179.5° | 0.1° |
| O1 | C1 | N2 | H2N | 0.5° | 180.0° |
| H2N | N2 | O2 | H2O | 0.0° | 0.1° |
