55I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| CG | CD2 | doub | 1.38Å | 1.35Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.37Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | sing | 1.38Å | 1.37Å | Aromatic |
| CZ | C13 | sing | 1.51Å | 1.50Å | |
| F20 | C13 | sing | 1.40Å | 1.36Å | |
| C13 | F21 | sing | 1.40Å | 1.37Å | |
| C13 | F19 | sing | 1.40Å | 1.32Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CD1 | H7 | sing | 1.08Å | 1.08Å | |
| CD2 | H8 | sing | 1.08Å | 1.08Å | |
| CE1 | H9 | sing | 1.08Å | 1.08Å | |
| CE2 | H10 | 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) |
| N | CA | CB | 107.1° | 109.4° |
| N | CA | C | 108.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.1° |
| N | CA | HA | 109.7° | 109.5° |
| CA | CB | CG | 115.0° | 109.4° |
| CB | CA | C | 113.9° | 109.4° |
| CB | CA | HA | 108.9° | 109.5° |
| CA | CB | H5 | 108.1° | 109.5° |
| CA | CB | H6 | 108.1° | 109.4° |
| CB | CG | CD2 | 118.2° | 120.0° |
| CB | CG | CD1 | 121.9° | 120.0° |
| CG | CB | H5 | 108.1° | 109.5° |
| CG | CB | H6 | 108.1° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| CA | C | OXT | 115.8° | 120.0° |
| C | CA | HA | 109.0° | 109.5° |
| O | C | OXT | 122.9° | 120.0° |
| CD2 | CG | CD1 | 119.4° | 120.0° |
| CG | CD2 | CE2 | 119.6° | 120.0° |
| CG | CD2 | H8 | 120.2° | 120.0° |
| CG | CD1 | CE1 | 121.3° | 120.0° |
| CG | CD1 | H7 | 119.3° | 120.0° |
| CD2 | CE2 | CZ | 120.7° | 120.0° |
| CE2 | CD2 | H8 | 120.2° | 120.0° |
| CD2 | CE2 | H10 | 119.6° | 120.0° |
| CD1 | CE1 | CZ | 118.6° | 120.0° |
| CE1 | CD1 | H7 | 119.3° | 120.0° |
| CD1 | CE1 | H9 | 120.7° | 120.0° |
| CE2 | CZ | CE1 | 119.9° | 120.0° |
| CE2 | CZ | C13 | 118.8° | 120.0° |
| CZ | CE2 | H10 | 119.7° | 120.0° |
| CE1 | CZ | C13 | 121.3° | 120.0° |
| CZ | CE1 | H9 | 120.7° | 120.0° |
| CZ | C13 | F20 | 111.0° | 109.5° |
| CZ | C13 | F21 | 114.2° | 109.5° |
| CZ | C13 | F19 | 112.7° | 109.5° |
| F20 | C13 | F21 | 108.2° | 109.5° |
| F20 | C13 | F19 | 102.5° | 109.4° |
| F21 | C13 | F19 | 107.6° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 119.6° | 120.0° |
| N | CA | CB | HA | 118.5° | 120.0° |
| N | CA | CB | CG | 178.7° | 65.0° |
| N | CA | C | HA | 119.2° | 120.1° |
| N | CA | C | O | 138.7° | 19.9° |
| N | CA | C | OXT | 54.1° | 160.3° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 60.5° | 55.0° |
| N | CA | CB | H6 | 57.9° | 175.0° |
| CA | CB | CG | H5 | 120.8° | 120.0° |
| CA | CB | CG | H6 | 120.8° | 119.9° |
| CB | CA | C | HA | 121.8° | 120.0° |
| CB | CA | C | O | 102.4° | 100.0° |
| CA | CB | CG | CD2 | 107.2° | 90.1° |
| CA | CB | CG | CD1 | 65.2° | 89.8° |
| CB | CA | C | OXT | 64.8° | 79.8° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 117.5° | 120.0° |
| CG | CB | CA | C | 59.1° | 175.0° |
| CB | CG | CD2 | CD1 | 172.6° | 179.8° |
| CB | CG | CD2 | CE2 | 175.6° | 180.0° |
| CB | CG | CD1 | CE1 | 179.7° | 180.0° |
| CG | CB | CA | HA | 62.7° | 55.0° |
| CG | CB | H5 | H6 | 117.5° | 120.0° |
| CB | CG | CD1 | H7 | 0.3° | 0.1° |
| CB | CG | CD2 | H8 | 4.4° | 0.1° |
| CA | C | O | OXT | 166.3° | 179.8° |
| C | CA | N | H | 56.8° | 64.0° |
| C | CA | N | H2 | 63.2° | 59.9° |
| C | CA | CB | H5 | 179.9° | 64.9° |
| C | CA | CB | H6 | 61.7° | 55.1° |
| CA | C | OXT | HXT | 166.8° | 179.7° |
| O | C | CA | HA | 19.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CD2 | CE2 | H8 | 180.0° | 179.9° |
| CD2 | CG | CD1 | CE1 | 7.4° | 0.1° |
| CG | CD2 | CE2 | CZ | 2.3° | 0.1° |
| CD2 | CG | CB | H5 | 132.0° | 29.9° |
| CD2 | CG | CB | H6 | 13.6° | 150.0° |
| CD2 | CG | CD1 | H7 | 172.6° | 179.8° |
| CG | CD2 | CE2 | H10 | 177.7° | 180.0° |
| CD1 | CG | CD2 | CE2 | 3.1° | 0.1° |
| CG | CD1 | CE1 | H7 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 6.1° | 0.1° |
| CD1 | CG | CB | H5 | 55.6° | 150.2° |
| CD1 | CG | CB | H6 | 174.0° | 30.2° |
| CD1 | CG | CD2 | H8 | 177.0° | 179.7° |
| CG | CD1 | CE1 | H9 | 174.0° | 180.0° |
| CD2 | CE2 | CZ | H10 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 3.6° | 0.3° |
| CD2 | CE2 | CZ | C13 | 175.9° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.6° | 0.3° |
| CD1 | CE1 | CZ | H9 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | C13 | 179.8° | 180.0° |
| CE2 | CZ | CE1 | C13 | 179.6° | 179.7° |
| CE2 | CZ | C13 | F20 | 20.3° | 150.3° |
| CE2 | CZ | C13 | F21 | 142.9° | 89.7° |
| CE2 | CZ | C13 | F19 | 94.0° | 30.3° |
| CZ | CE2 | CD2 | H8 | 177.6° | 179.9° |
| CE2 | CZ | CE1 | H9 | 179.4° | 179.7° |
| CE1 | CZ | C13 | F20 | 159.3° | 30.1° |
| CE1 | CZ | C13 | F21 | 36.7° | 90.0° |
| CE1 | CZ | C13 | F19 | 86.4° | 150.1° |
| CZ | CE1 | CD1 | H7 | 174.0° | 180.0° |
| CE1 | CZ | CE2 | H10 | 176.4° | 179.7° |
| CZ | C13 | F20 | F21 | 126.1° | 120.1° |
| CZ | C13 | F20 | F19 | 120.5° | 120.0° |
| CZ | C13 | F21 | F19 | 125.8° | 120.0° |
| C13 | CZ | CE1 | H9 | 0.1° | 0.1° |
| C13 | CZ | CE2 | H10 | 4.0° | 0.1° |
| F20 | C13 | F21 | F19 | 110.0° | 120.0° |
| OXT | C | CA | HA | 173.3° | 40.2° |
| H | N | CA | HA | 61.9° | 56.0° |
| H2 | N | CA | HA | 178.1° | 180.0° |
| HA | CA | CB | H5 | 58.1° | 175.0° |
| HA | CA | CB | H6 | 176.5° | 64.9° |
| H7 | CD1 | CE1 | H9 | 6.0° | 0.1° |
| H8 | CD2 | CE2 | H10 | 2.3° | 0.1° |
