3CF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.33Å | |
| OXT | C | sing | 1.34Å | 1.17Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N1 | C1 | trip | 1.14Å | 1.15Å | |
| C1 | CE1 | sing | 1.43Å | 1.42Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.37Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZ | doub | 1.40Å | 1.38Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CD1 | CE1 | sing | 1.40Å | 1.37Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | 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) |
| O | C | OXT | 123.0° | 120.0° |
| O | C | CA | 116.8° | 120.0° |
| OXT | C | CA | 120.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | N | 112.9° | 109.5° |
| C | CA | CB | 116.3° | 109.5° |
| C | CA | HA | 101.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 107.9° | 109.5° |
| N | CA | HA | 110.9° | 109.4° |
| H | N | H2 | 109.5° | 110.9° |
| N1 | C1 | CE1 | 177.4° | 180.0° |
| C1 | CE1 | CZ | 122.1° | 120.2° |
| C1 | CE1 | CD1 | 117.3° | 120.2° |
| CB | CA | HA | 107.2° | 109.5° |
| CA | CB | CG | 108.5° | 109.5° |
| CA | CB | HB | 109.8° | 109.5° |
| CA | CB | HBA | 109.8° | 109.5° |
| CG | CB | HB | 109.8° | 109.5° |
| CG | CB | HBA | 109.8° | 109.4° |
| CB | CG | CD1 | 118.8° | 119.9° |
| CB | CG | CD2 | 122.6° | 119.9° |
| HB | CB | HBA | 109.2° | 109.5° |
| CD1 | CG | CD2 | 118.5° | 120.2° |
| CG | CD1 | CE1 | 121.2° | 119.9° |
| CG | CD1 | HD1 | 119.4° | 120.1° |
| CG | CD2 | CE2 | 120.7° | 120.3° |
| CG | CD2 | HD2 | 119.7° | 119.8° |
| CE1 | CZ | CE2 | 119.0° | 119.9° |
| CE1 | CZ | HZ | 120.5° | 120.0° |
| CZ | CE1 | CD1 | 120.6° | 119.7° |
| CE2 | CZ | HZ | 120.5° | 120.1° |
| CZ | CE2 | CD2 | 120.0° | 120.2° |
| CZ | CE2 | HE2 | 120.0° | 119.9° |
| CE1 | CD1 | HD1 | 119.4° | 120.0° |
| CE2 | CD2 | HD2 | 119.7° | 119.9° |
| CD2 | CE2 | HE2 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 177.7° | 179.7° |
| O | C | CA | N | 36.3° | 19.7° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| O | C | CA | CB | 89.2° | 100.3° |
| O | C | CA | HA | 155.0° | 139.7° |
| OXT | C | CA | N | 145.9° | 159.9° |
| OXT | C | CA | CB | 88.7° | 80.0° |
| OXT | C | CA | HA | 27.1° | 40.0° |
| C | CA | N | CB | 129.9° | 120.0° |
| C | CA | N | HA | 113.0° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| CA | C | OXT | HXT | 177.7° | 180.0° |
| C | CA | CB | HA | 112.5° | 120.0° |
| C | CA | CB | CG | 35.8° | 175.0° |
| C | CA | CB | HB | 155.8° | 65.0° |
| C | CA | CB | HBA | 84.1° | 55.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HA | 119.5° | 119.9° |
| N | CA | CB | CG | 163.8° | 65.0° |
| N | CA | CB | HB | 76.2° | 55.1° |
| N | CA | CB | HBA | 43.9° | 175.1° |
| H | N | CA | CB | 50.1° | 60.0° |
| H | N | CA | HA | 67.0° | 179.9° |
| H2 | N | CA | CB | 170.1° | 63.9° |
| H2 | N | CA | HA | 53.0° | 56.1° |
| N1 | C1 | CE1 | CZ | 166.0° | 64.5° |
| N1 | C1 | CE1 | CD1 | 13.4° | 115.5° |
| C1 | CE1 | CD1 | CG | 179.7° | 180.0° |
| C1 | CE1 | CZ | CD1 | 179.4° | 180.0° |
| C1 | CE1 | CZ | CE2 | 179.9° | 179.7° |
| C1 | CE1 | CZ | HZ | 0.0° | 0.0° |
| C1 | CE1 | CD1 | HD1 | 0.3° | 0.1° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 120.4° | 120.0° |
| CA | CB | CG | CD1 | 87.3° | 90.0° |
| CA | CB | CG | CD2 | 90.6° | 90.3° |
| HA | CA | CB | CG | 76.7° | 55.0° |
| HA | CA | CB | HB | 43.3° | 175.0° |
| HA | CA | CB | HBA | 163.4° | 65.0° |
| CG | CB | HB | HBA | 120.4° | 120.0° |
| CB | CG | CD1 | CD2 | 178.0° | 179.7° |
| CB | CG | CD1 | CE1 | 178.0° | 180.0° |
| CB | CG | CD1 | HD1 | 1.9° | 0.1° |
| CB | CG | CD2 | CE2 | 178.1° | 180.0° |
| CB | CG | CD2 | HD2 | 1.9° | 0.1° |
| HB | CB | CG | CD1 | 152.7° | 30.0° |
| HB | CB | CG | CD2 | 29.4° | 149.7° |
| HBA | CB | CG | CD1 | 32.7° | 150.0° |
| HBA | CB | CG | CD2 | 149.4° | 29.7° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.8° | 179.6° |
| CG | CD2 | CE2 | CZ | 0.6° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | HE2 | 179.4° | 179.7° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
| CZ | CE1 | CD1 | HD1 | 179.7° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.8° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 179.2° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.7° | 0.3° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 179.4° | 179.9° |
| HZ | CZ | CE1 | CD1 | 179.3° | 180.0° |
| HZ | CZ | CE2 | CD2 | 179.2° | 179.9° |
| HZ | CZ | CE2 | HE2 | 0.8° | 0.3° |
| HD2 | CD2 | CE2 | HE2 | 0.6° | 0.4° |
