005
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.18Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CB1 | sing | 1.47Å | 1.44Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CA | OB2 | sing | 1.43Å | 1.39Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CD | CG | sing | 1.51Å | 1.54Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CH | CZ1 | doub | 1.38Å | 1.54Å | Aromatic |
| CH | CZ2 | sing | 1.38Å | 1.54Å | Aromatic |
| CH | HH | sing | 1.08Å | 1.08Å | |
| CB1 | CA | sing | 1.53Å | 1.56Å | |
| CB1 | CG | sing | 1.53Å | 1.53Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| OB2 | HOB2 | sing | 0.97Å | 0.95Å | |
| CE1 | CD | doub | 1.38Å | 1.53Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CD | sing | 1.38Å | 1.53Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ1 | CE1 | sing | 1.38Å | 1.54Å | Aromatic |
| CZ1 | HZ1 | sing | 1.08Å | 1.08Å | |
| CZ2 | CE2 | doub | 1.38Å | 1.54Å | Aromatic |
| CZ2 | HZ2 | 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) |
| CA | C | O | 121.7° | 120.0° |
| CA | C | OXT | 119.1° | 120.1° |
| C | CA | OB2 | 108.9° | 109.5° |
| C | CA | HA | 112.6° | 109.5° |
| C | CA | CB1 | 108.8° | 109.5° |
| O | C | OXT | 119.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CB1 | N | HN | 109.5° | 111.0° |
| CB1 | N | HNA | 109.4° | 111.0° |
| N | CB1 | CA | 101.9° | 109.5° |
| N | CB1 | CG | 112.0° | 109.5° |
| N | CB1 | HB1 | 116.2° | 109.5° |
| HN | N | HNA | 109.4° | 111.1° |
| OB2 | CA | HA | 105.4° | 109.4° |
| OB2 | CA | CB1 | 115.7° | 109.5° |
| CA | OB2 | HOB2 | 109.5° | 114.0° |
| HA | CA | CB1 | 105.4° | 109.4° |
| CD | CG | HG | 111.1° | 109.5° |
| CD | CG | HGA | 111.2° | 109.5° |
| CD | CG | CB1 | 104.4° | 109.5° |
| CG | CD | CE1 | 118.9° | 120.0° |
| CG | CD | CE2 | 120.6° | 120.0° |
| HG | CG | HGA | 107.7° | 109.5° |
| HG | CG | CB1 | 111.2° | 109.5° |
| HGA | CG | CB1 | 111.2° | 109.5° |
| CZ1 | CH | CZ2 | 119.8° | 120.0° |
| CZ1 | CH | HH | 120.1° | 120.0° |
| CH | CZ1 | CE1 | 119.9° | 120.0° |
| CH | CZ1 | HZ1 | 120.0° | 120.0° |
| CZ2 | CH | HH | 120.1° | 120.0° |
| CH | CZ2 | CE2 | 120.0° | 120.0° |
| CH | CZ2 | HZ2 | 120.0° | 120.0° |
| CA | CB1 | CG | 117.8° | 109.5° |
| CA | CB1 | HB1 | 110.1° | 109.5° |
| CG | CB1 | HB1 | 99.6° | 109.5° |
| CD | CE1 | HE1 | 120.0° | 120.0° |
| CE1 | CD | CE2 | 120.6° | 120.0° |
| CD | CE1 | CZ1 | 120.0° | 120.0° |
| HE1 | CE1 | CZ1 | 120.0° | 120.0° |
| CD | CE2 | HE2 | 120.1° | 120.0° |
| CD | CE2 | CZ2 | 119.7° | 120.0° |
| HE2 | CE2 | CZ2 | 120.1° | 120.0° |
| CE1 | CZ1 | HZ1 | 120.0° | 119.9° |
| CE2 | CZ2 | HZ2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 180.0° | 179.7° |
| C | CA | CB1 | N | 151.9° | 60.0° |
| C | CA | OB2 | HA | 121.1° | 120.0° |
| C | CA | OB2 | CB1 | 122.9° | 120.0° |
| C | CA | HA | CB1 | 118.6° | 120.0° |
| C | CA | CB1 | CG | 85.2° | 180.0° |
| C | CA | CB1 | HB1 | 28.0° | 60.1° |
| C | CA | OB2 | HOB2 | 15.3° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| O | C | CA | OB2 | 38.7° | 5.0° |
| O | C | CA | HA | 155.2° | 125.0° |
| O | C | CA | CB1 | 88.2° | 115.0° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| OXT | C | CA | OB2 | 141.3° | 175.3° |
| OXT | C | CA | HA | 24.8° | 55.3° |
| OXT | C | CA | CB1 | 91.8° | 64.7° |
| CB1 | N | HN | HNA | 120.0° | 124.0° |
| N | CB1 | CA | OB2 | 85.2° | 180.0° |
| N | CB1 | CA | HA | 30.8° | 60.0° |
| N | CB1 | CG | CD | 66.4° | 65.0° |
| N | CB1 | CG | HG | 173.6° | 175.0° |
| N | CB1 | CG | HGA | 53.6° | 55.0° |
| N | CB1 | CA | CG | 123.0° | 120.0° |
| N | CB1 | CA | HB1 | 123.8° | 120.0° |
| N | CB1 | CG | HB1 | 123.4° | 120.0° |
| HN | N | CB1 | CA | 180.0° | 60.0° |
| HN | N | CB1 | CG | 53.2° | 60.0° |
| HN | N | CB1 | HB1 | 60.3° | 180.0° |
| HNA | N | CB1 | CA | 60.0° | 176.0° |
| HNA | N | CB1 | CG | 173.1° | 64.0° |
| HNA | N | CB1 | HB1 | 59.6° | 56.0° |
| OB2 | CA | HA | CB1 | 122.8° | 120.0° |
| OB2 | CA | CB1 | CG | 37.8° | 60.0° |
| OB2 | CA | CB1 | HB1 | 151.0° | 60.0° |
| HA | CA | CB1 | CG | 153.7° | 60.0° |
| HA | CA | CB1 | HB1 | 93.1° | 180.0° |
| HA | CA | OB2 | HOB2 | 136.4° | 179.9° |
| CD | CG | HG | HGA | 122.0° | 120.0° |
| CD | CG | HG | CB1 | 115.9° | 120.0° |
| CD | CG | HGA | CB1 | 115.9° | 120.0° |
| CD | CG | CB1 | CA | 175.9° | 175.0° |
| CD | CG | CB1 | HB1 | 57.0° | 55.0° |
| CG | CD | CE1 | CE2 | 179.3° | 179.7° |
| CG | CD | CE1 | HE1 | 0.2° | 0.0° |
| CG | CD | CE2 | HE2 | 0.4° | 0.1° |
| CG | CD | CE1 | CZ1 | 179.8° | 180.0° |
| CG | CD | CE2 | CZ2 | 179.6° | 180.0° |
| HG | CG | HGA | CB1 | 122.1° | 120.0° |
| HG | CG | CB1 | CA | 55.9° | 55.0° |
| HG | CG | CB1 | HB1 | 63.0° | 65.0° |
| HG | CG | CD | CE1 | 29.8° | 150.0° |
| HG | CG | CD | CE2 | 150.9° | 29.7° |
| HGA | CG | CB1 | CA | 64.1° | 65.0° |
| HGA | CG | CB1 | HB1 | 177.0° | 175.0° |
| HGA | CG | CD | CE1 | 149.8° | 30.0° |
| HGA | CG | CD | CE2 | 30.9° | 149.7° |
| CZ1 | CH | CZ2 | HH | 180.0° | 179.8° |
| CH | CZ1 | CE1 | CD | 1.1° | 0.0° |
| CH | CZ1 | CE1 | HE1 | 178.9° | 180.0° |
| CH | CZ1 | CE1 | HZ1 | 180.0° | 179.7° |
| CZ1 | CH | CZ2 | CE2 | 0.3° | 0.2° |
| CZ1 | CH | CZ2 | HZ2 | 179.7° | 179.9° |
| CH | CZ2 | CE2 | CD | 0.0° | 0.1° |
| CH | CZ2 | CE2 | HE2 | 180.0° | 180.0° |
| CZ2 | CH | CZ1 | CE1 | 0.8° | 0.3° |
| CZ2 | CH | CZ1 | HZ1 | 179.2° | 179.9° |
| CH | CZ2 | CE2 | HZ2 | 180.0° | 179.8° |
| HH | CH | CZ1 | CE1 | 179.2° | 179.9° |
| HH | CH | CZ1 | HZ1 | 0.8° | 0.3° |
| HH | CH | CZ2 | CE2 | 179.8° | 180.0° |
| HH | CH | CZ2 | HZ2 | 0.2° | 0.1° |
| CA | CB1 | CG | HB1 | 118.9° | 120.0° |
| CB1 | CA | OB2 | HOB2 | 107.6° | 60.0° |
| CB1 | CG | CD | CE1 | 90.2° | 90.0° |
| CB1 | CG | CD | CE2 | 89.1° | 90.3° |
| CD | CE1 | HE1 | CZ1 | 180.0° | 180.0° |
| CE1 | CD | CE2 | HE2 | 179.7° | 179.8° |
| CD | CE1 | CZ1 | HZ1 | 178.9° | 179.7° |
| CE1 | CD | CE2 | CZ2 | 0.3° | 0.4° |
| HE1 | CE1 | CD | CE2 | 179.1° | 179.7° |
| HE1 | CE1 | CZ1 | HZ1 | 1.1° | 0.3° |
| CD | CE2 | HE2 | CZ2 | 180.0° | 179.9° |
| CE2 | CD | CE1 | CZ1 | 0.9° | 0.3° |
| CD | CE2 | CZ2 | HZ2 | 180.0° | 179.8° |
| HE2 | CE2 | CZ2 | HZ2 | 0.0° | 0.1° |
