F2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.21Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | F2 | sing | 1.35Å | 1.33Å | |
| CE2 | CZ | doub | 1.39Å | 1.37Å | Aromatic |
| CZ | F1 | sing | 1.35Å | 1.34Å | |
| CZ | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 118.1° | 120.0° |
| O | C | OXT | 120.9° | 120.0° |
| CA | C | OXT | 121.0° | 120.0° |
| C | CA | N | 112.9° | 109.5° |
| C | CA | CB | 106.5° | 109.5° |
| C | CA | HA | 110.0° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | CB | 111.7° | 109.4° |
| N | CA | HA | 104.6° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| CB | CA | HA | 111.3° | 109.5° |
| CA | CB | CG | 109.4° | 109.5° |
| CA | CB | HB | 109.5° | 109.5° |
| CA | CB | HBA | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| CG | CB | HB | 109.5° | 109.5° |
| CG | CB | HBA | 109.5° | 109.5° |
| CB | CG | CD2 | 118.4° | 119.9° |
| CB | CG | CD1 | 121.4° | 120.0° |
| HB | CB | HBA | 109.4° | 109.4° |
| CD2 | CG | CD1 | 120.1° | 120.1° |
| CG | CD2 | CE2 | 119.6° | 120.0° |
| CG | CD2 | HD2 | 120.2° | 120.0° |
| CG | CD1 | CE1 | 119.8° | 120.1° |
| CG | CD1 | HD1 | 120.1° | 120.0° |
| CE2 | CD2 | HD2 | 120.2° | 120.0° |
| CD2 | CE2 | F2 | 121.2° | 120.1° |
| CD2 | CE2 | CZ | 120.5° | 119.9° |
| F2 | CE2 | CZ | 118.3° | 120.0° |
| CE2 | CZ | F1 | 117.0° | 120.1° |
| CE2 | CZ | CE1 | 120.6° | 119.9° |
| F1 | CZ | CE1 | 122.4° | 120.0° |
| CZ | CE1 | CD1 | 119.4° | 120.0° |
| CZ | CE1 | HE1 | 120.3° | 120.0° |
| CD1 | CE1 | HE1 | 120.3° | 120.0° |
| CE1 | CD1 | HD1 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.8° |
| O | C | CA | N | 116.3° | 20.0° |
| O | C | CA | CB | 6.7° | 100.0° |
| O | C | CA | HA | 127.3° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 120.0° | 120.0° |
| C | CA | N | HA | 119.6° | 120.1° |
| C | CA | CB | HA | 119.8° | 120.1° |
| C | CA | N | H | 129.7° | 64.0° |
| C | CA | N | H2 | 9.7° | 60.0° |
| C | CA | CB | CG | 167.3° | 175.0° |
| C | CA | CB | HB | 47.3° | 64.9° |
| C | CA | CB | HBA | 72.7° | 55.0° |
| CA | C | OXT | HXT | 179.9° | 179.7° |
| OXT | C | CA | N | 63.7° | 160.3° |
| OXT | C | CA | CB | 173.4° | 79.8° |
| OXT | C | CA | HA | 52.7° | 40.3° |
| N | CA | CB | HA | 116.5° | 119.9° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | CG | 43.6° | 65.0° |
| N | CA | CB | HB | 76.5° | 55.0° |
| N | CA | CB | HBA | 163.6° | 175.0° |
| CB | CA | N | H | 110.3° | 176.0° |
| CB | CA | N | H2 | 129.7° | 60.0° |
| CA | CB | CG | HB | 120.0° | 120.1° |
| CA | CB | CG | HBA | 120.0° | 119.9° |
| CA | CB | HB | HBA | 120.0° | 119.9° |
| CA | CB | CG | CD2 | 70.7° | 90.0° |
| CA | CB | CG | CD1 | 107.0° | 90.2° |
| HA | CA | N | H | 10.2° | 56.1° |
| HA | CA | N | H2 | 109.8° | 179.9° |
| HA | CA | CB | CG | 72.9° | 54.9° |
| HA | CA | CB | HB | 167.1° | 175.0° |
| HA | CA | CB | HBA | 47.2° | 65.1° |
| CG | CB | HB | HBA | 120.0° | 120.0° |
| CB | CG | CD2 | CD1 | 177.8° | 179.7° |
| CB | CG | CD2 | CE2 | 177.9° | 180.0° |
| CB | CG | CD2 | HD2 | 2.1° | 0.0° |
| CB | CG | CD1 | CE1 | 178.0° | 179.7° |
| CB | CG | CD1 | HD1 | 2.0° | 0.1° |
| HB | CB | CG | CD2 | 169.3° | 30.0° |
| HB | CB | CG | CD1 | 13.0° | 149.7° |
| HBA | CB | CG | CD2 | 49.3° | 150.0° |
| HBA | CB | CG | CD1 | 133.0° | 29.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | F2 | 179.3° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.4° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.6° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.6° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.7° |
| CG | CD1 | CE1 | HE1 | 180.0° | 179.8° |
| CD2 | CE2 | F2 | CZ | 178.9° | 180.0° |
| CD2 | CE2 | CZ | F1 | 179.3° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.7° | 0.0° |
| HD2 | CD2 | CE2 | F2 | 0.7° | 0.0° |
| HD2 | CD2 | CE2 | CZ | 179.6° | 180.0° |
| F2 | CE2 | CZ | F1 | 0.4° | 0.0° |
| F2 | CE2 | CZ | CE1 | 179.6° | 180.0° |
| CE2 | CZ | F1 | CE1 | 180.0° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 0.4° | 0.3° |
| CE2 | CZ | CE1 | HE1 | 179.6° | 179.9° |
| F1 | CZ | CE1 | CD1 | 179.5° | 179.7° |
| F1 | CZ | CE1 | HE1 | 0.5° | 0.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 180.0° | 179.8° |
| HE1 | CE1 | CD1 | HD1 | 0.0° | 0.1° |
