NVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.51Å | 1.56Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| CB | CG | sing | 1.47Å | 1.35Å | Aromatic |
| CB | NAL | doub | 1.30Å | 1.33Å | Aromatic |
| CG | CD1 | sing | 1.40Å | 1.35Å | Aromatic |
| CG | CD2 | doub | 1.40Å | 1.36Å | Aromatic |
| CD1 | CE1 | doub | 1.37Å | 1.39Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CZ | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CD2 | sing | 1.39Å | 1.34Å | Aromatic |
| CD2 | OH | sing | 1.35Å | 1.35Å | Aromatic |
| OH | NAL | sing | 1.41Å | 1.33Å | Aromatic |
| CA | HA1C | sing | 1.09Å | 1.10Å | |
| CA | HA2C | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | CA | CB | 108.6° | 109.4° |
| CA | C | O | 116.2° | 120.0° |
| CA | C | OXT | 120.9° | 120.0° |
| C | CA | HA1C | 109.7° | 109.5° |
| C | CA | HA2C | 109.7° | 109.4° |
| CA | CB | CG | 128.5° | 126.3° |
| CA | CB | NAL | 122.6° | 126.3° |
| CB | CA | HA1C | 109.7° | 109.5° |
| CB | CA | HA2C | 109.7° | 109.5° |
| O | C | OXT | 122.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CG | CB | NAL | 108.7° | 107.4° |
| CB | CG | CD1 | 133.2° | 133.8° |
| CB | CG | CD2 | 106.5° | 106.4° |
| CB | NAL | OH | 109.1° | 109.8° |
| CD1 | CG | CD2 | 120.4° | 119.8° |
| CG | CD1 | CE1 | 118.3° | 119.8° |
| CG | CD1 | HD1 | 120.8° | 120.1° |
| CG | CD2 | CE2 | 122.8° | 119.5° |
| CG | CD2 | OH | 108.4° | 107.1° |
| CD1 | CE1 | CZ | 121.0° | 120.5° |
| CE1 | CD1 | HD1 | 120.8° | 120.1° |
| CD1 | CE1 | HE1 | 119.5° | 119.8° |
| CE1 | CZ | CE2 | 118.7° | 120.6° |
| CZ | CE1 | HE1 | 119.5° | 119.7° |
| CE1 | CZ | HZ | 120.6° | 119.7° |
| CZ | CE2 | CD2 | 118.8° | 119.8° |
| CE2 | CZ | HZ | 120.6° | 119.7° |
| CZ | CE2 | HE2 | 120.6° | 120.1° |
| CE2 | CD2 | OH | 128.8° | 133.4° |
| CD2 | CE2 | HE2 | 120.6° | 120.1° |
| CD2 | OH | NAL | 107.2° | 109.3° |
| HA1C | CA | HA2C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | CB | HA1C | 119.9° | 120.0° |
| C | CA | CB | HA2C | 119.8° | 119.9° |
| CA | C | O | OXT | 178.0° | 180.0° |
| C | CA | CB | CG | 155.6° | 90.1° |
| C | CA | CB | NAL | 18.9° | 90.3° |
| C | CA | HA1C | HA2C | 120.4° | 120.0° |
| CA | C | OXT | HXT | 177.9° | 180.0° |
| CB | CA | C | O | 157.9° | 0.0° |
| CB | CA | C | OXT | 24.0° | 180.0° |
| CA | CB | CG | NAL | 175.1° | 179.7° |
| CA | CB | CG | CD1 | 3.7° | 0.1° |
| CA | CB | CG | CD2 | 176.9° | 179.9° |
| CA | CB | NAL | OH | 177.1° | 179.9° |
| CB | CA | HA1C | HA2C | 120.4° | 120.0° |
| O | C | CA | HA1C | 82.2° | 120.0° |
| O | C | CA | HA2C | 38.1° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA1C | 95.8° | 60.0° |
| OXT | C | CA | HA2C | 143.9° | 60.0° |
| CB | CG | CD1 | CD2 | 179.4° | 179.9° |
| CB | CG | CD1 | CE1 | 179.0° | 180.0° |
| CB | CG | CD2 | CE2 | 179.5° | 180.0° |
| CB | CG | CD2 | OH | 1.3° | 0.0° |
| CG | CB | NAL | OH | 1.6° | 0.5° |
| CG | CB | CA | HA1C | 35.7° | 29.9° |
| CG | CB | CA | HA2C | 84.6° | 150.0° |
| CB | CG | CD1 | HD1 | 0.9° | 0.0° |
| NAL | CB | CG | CD1 | 178.8° | 179.8° |
| NAL | CB | CG | CD2 | 1.8° | 0.3° |
| CB | NAL | OH | CD2 | 0.8° | 0.5° |
| NAL | CB | CA | HA1C | 138.8° | 149.7° |
| NAL | CB | CA | HA2C | 100.9° | 29.6° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.0° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.0° |
| CD1 | CG | CD2 | OH | 179.2° | 180.0° |
| CG | CD1 | CE1 | HE1 | 179.7° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.0° |
| CG | CD2 | CE2 | CZ | 0.4° | 0.1° |
| CG | CD2 | CE2 | OH | 179.0° | 180.0° |
| CG | CD2 | OH | NAL | 0.3° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.7° | 180.0° |
| CG | CD2 | CE2 | HE2 | 179.6° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.0° |
| CD1 | CE1 | CZ | HZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.4° | 0.1° |
| CZ | CE1 | CD1 | HD1 | 179.7° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 180.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | OH | 179.4° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 180.0° |
| CE2 | CD2 | OH | NAL | 179.4° | 179.8° |
| CD2 | CE2 | CZ | HZ | 179.6° | 180.0° |
| OH | CD2 | CE2 | HE2 | 0.6° | 0.0° |
| HD1 | CD1 | CE1 | HE1 | 0.3° | 0.0° |
| HE1 | CE1 | CZ | HZ | 0.0° | 0.1° |
| HZ | CZ | CE2 | HE2 | 0.3° | 0.0° |
