TRJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.42Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CG | sing | 1.51Å | 1.48Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.36Å | Aromatic |
| CD1 | HD11 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.41Å | Aromatic |
| CD2 | HD21 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.35Å | Aromatic |
| CE1 | CB | sing | 1.51Å | 1.52Å | |
| CE2 | CZ | sing | 1.38Å | 1.41Å | Aromatic |
| CE2 | HE21 | sing | 1.08Å | 1.10Å | |
| CZ | HZ1 | sing | 1.08Å | 1.10Å | |
| CB | N2 | sing | 1.47Å | 1.49Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 122.5° | 106.7° |
| CA | N | HN2 | 107.6° | 106.7° |
| N | CA | CG | 122.5° | 109.5° |
| N | CA | HA1 | 107.6° | 109.4° |
| N | CA | HA2 | 107.6° | 109.5° |
| HN1 | N | HN2 | 107.6° | 106.7° |
| CG | CA | HA1 | 107.6° | 109.5° |
| CG | CA | HA2 | 107.6° | 109.5° |
| CA | CG | CD1 | 120.5° | 120.0° |
| CA | CG | CD2 | 123.5° | 120.0° |
| HA1 | CA | HA2 | 102.2° | 109.5° |
| CD1 | CG | CD2 | 115.7° | 120.0° |
| CG | CD1 | CE1 | 119.6° | 120.0° |
| CG | CD1 | HD11 | 120.9° | 120.0° |
| CG | CD2 | CE2 | 125.3° | 120.0° |
| CG | CD2 | HD21 | 116.9° | 120.0° |
| CE1 | CD1 | HD11 | 119.5° | 120.0° |
| CD1 | CE1 | CZ | 125.0° | 120.0° |
| CD1 | CE1 | CB | 112.4° | 119.9° |
| CE2 | CD2 | HD21 | 117.8° | 120.0° |
| CD2 | CE2 | CZ | 115.6° | 120.0° |
| CD2 | CE2 | HE21 | 122.2° | 120.0° |
| CZ | CE1 | CB | 122.5° | 120.0° |
| CE1 | CZ | CE2 | 118.7° | 120.0° |
| CE1 | CZ | HZ1 | 118.6° | 120.0° |
| CE1 | CB | N2 | 139.8° | 109.5° |
| CE1 | CB | HB1 | 102.0° | 109.5° |
| CE1 | CB | HB2 | 102.0° | 109.5° |
| CZ | CE2 | HE21 | 122.2° | 120.0° |
| CE2 | CZ | HZ1 | 122.7° | 120.0° |
| N2 | CB | HB1 | 101.9° | 109.5° |
| N2 | CB | HB2 | 101.9° | 109.4° |
| CB | N2 | HN21 | 139.8° | 106.7° |
| CB | N2 | HN22 | 102.0° | 106.7° |
| HB1 | CB | HB2 | 106.0° | 109.5° |
| HN21 | N2 | HN22 | 101.9° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 125.3° | 113.8° |
| N | CA | CG | HA1 | 125.3° | 120.0° |
| N | CA | CG | HA2 | 125.2° | 120.0° |
| N | CA | HA1 | HA2 | 113.1° | 120.0° |
| N | CA | CG | CD1 | 39.3° | 90.3° |
| N | CA | CG | CD2 | 146.6° | 90.0° |
| HN1 | N | CA | CG | 180.0° | 180.0° |
| HN1 | N | CA | HA1 | 54.7° | 60.0° |
| HN1 | N | CA | HA2 | 54.8° | 60.0° |
| HN2 | N | CA | CG | 54.7° | 66.2° |
| HN2 | N | CA | HA1 | 180.0° | 53.8° |
| HN2 | N | CA | HA2 | 70.5° | 173.8° |
| CG | CA | HA1 | HA2 | 113.1° | 120.0° |
| CA | CG | CD1 | CD2 | 174.6° | 179.7° |
| CA | CG | CD1 | CE1 | 177.9° | 179.8° |
| CA | CG | CD1 | HD11 | 2.1° | 0.2° |
| CA | CG | CD2 | CE2 | 178.7° | 180.0° |
| CA | CG | CD2 | HD21 | 1.3° | 0.0° |
| HA1 | CA | CG | CD1 | 164.6° | 149.8° |
| HA1 | CA | CG | CD2 | 21.3° | 30.0° |
| HA2 | CA | CG | CD1 | 86.0° | 29.8° |
| HA2 | CA | CG | CD2 | 88.2° | 150.0° |
| CG | CD1 | CE1 | HD11 | 180.0° | 179.6° |
| CD1 | CG | CD2 | CE2 | 4.2° | 0.3° |
| CD1 | CG | CD2 | HD21 | 175.8° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.4° |
| CG | CD1 | CE1 | CB | 175.9° | 179.7° |
| CD2 | CG | CD1 | CE1 | 3.3° | 0.5° |
| CD2 | CG | CD1 | HD11 | 176.7° | 180.0° |
| CG | CD2 | CE2 | HD21 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 1.6° | 0.0° |
| CG | CD2 | CE2 | HE21 | 178.4° | 180.0° |
| CD1 | CE1 | CZ | CB | 175.5° | 179.8° |
| CD1 | CE1 | CZ | CE2 | 2.8° | 0.2° |
| CD1 | CE1 | CZ | HZ1 | 177.2° | 179.8° |
| CD1 | CE1 | CB | N2 | 59.9° | 89.9° |
| CD1 | CE1 | CB | HB1 | 174.8° | 30.1° |
| CD1 | CE1 | CB | HB2 | 65.4° | 150.2° |
| HD11 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD11 | CD1 | CE1 | CB | 4.1° | 0.2° |
| CD2 | CE2 | CZ | CE1 | 1.9° | 0.0° |
| CD2 | CE2 | CZ | HE21 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ1 | 178.1° | 180.0° |
| HD21 | CD2 | CE2 | CZ | 178.4° | 180.0° |
| HD21 | CD2 | CE2 | HE21 | 1.6° | 0.0° |
| CE1 | CZ | CE2 | HZ1 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | HE21 | 178.1° | 180.0° |
| CZ | CE1 | CB | N2 | 116.1° | 90.0° |
| CZ | CE1 | CB | HB1 | 9.2° | 150.0° |
| CZ | CE1 | CB | HB2 | 118.6° | 30.0° |
| CB | CE1 | CZ | CE2 | 178.3° | 180.0° |
| CB | CE1 | CZ | HZ1 | 1.7° | 0.0° |
| CE1 | CB | N2 | HB1 | 125.3° | 120.0° |
| CE1 | CB | N2 | HB2 | 125.3° | 120.0° |
| CE1 | CB | HB1 | HB2 | 106.4° | 120.0° |
| CE1 | CB | N2 | HN21 | 180.0° | 180.0° |
| CE1 | CB | N2 | HN22 | 54.8° | 66.2° |
| HE21 | CE2 | CZ | HZ1 | 1.9° | 0.0° |
| N2 | CB | HB1 | HB2 | 106.2° | 120.0° |
| CB | N2 | HN21 | HN22 | 125.3° | 113.8° |
| HB1 | CB | N2 | HN21 | 54.7° | 60.0° |
| HB1 | CB | N2 | HN22 | 70.5° | 173.8° |
| HB2 | CB | N2 | HN21 | 54.7° | 60.0° |
| HB2 | CB | N2 | HN22 | 179.9° | 53.8° |
