PPN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.52Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.10Å | 1.11Å | |
| C | O | doub | 1.23Å | 1.22Å | |
| C | OXT | sing | 1.35Å | 1.33Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB2 | sing | 1.10Å | 1.12Å | |
| CB | HB3 | sing | 1.10Å | 1.12Å | |
| CG | CD1 | doub | 1.39Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.39Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD2 | CE2 | doub | 1.39Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CE1 | CZ | doub | 1.40Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.10Å | |
| CE2 | CZ | sing | 1.39Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.09Å | 1.10Å | |
| CZ | N1 | sing | 1.42Å | 1.51Å | |
| N1 | O1 | doub | 1.25Å | 1.20Å | |
| N1 | O2 | sing | 1.25Å | 1.21Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 105.6° | 119.0° |
| CA | N | H2 | 113.7° | 119.0° |
| N | CA | C | 105.6° | 111.1° |
| N | CA | CB | 113.6° | 111.1° |
| N | CA | HA | 109.0° | 106.2° |
| H | N | H2 | 113.6° | 120.6° |
| C | CA | CB | 108.5° | 110.0° |
| C | CA | HA | 114.2° | 106.9° |
| CA | C | O | 116.7° | 122.9° |
| CA | C | OXT | 116.9° | 114.8° |
| CB | CA | HA | 106.2° | 111.4° |
| CA | CB | CG | 113.0° | 113.0° |
| CA | CB | HB2 | 110.9° | 110.4° |
| CA | CB | HB3 | 110.9° | 110.2° |
| O | C | OXT | 126.2° | 122.2° |
| C | OXT | HXT | 116.9° | 114.8° |
| CG | CB | HB2 | 110.9° | 108.0° |
| CG | CB | HB3 | 111.0° | 109.7° |
| CB | CG | CD1 | 122.4° | 119.4° |
| CB | CG | CD2 | 118.4° | 119.3° |
| HB2 | CB | HB3 | 99.4° | 105.2° |
| CD1 | CG | CD2 | 119.0° | 121.3° |
| CG | CD1 | CE1 | 120.6° | 119.4° |
| CG | CD1 | HD1 | 119.6° | 121.1° |
| CG | CD2 | CE2 | 120.4° | 119.3° |
| CG | CD2 | HD2 | 119.7° | 121.2° |
| CE1 | CD1 | HD1 | 119.8° | 119.5° |
| CD1 | CE1 | CZ | 120.8° | 120.0° |
| CD1 | CE1 | HE1 | 119.5° | 119.3° |
| CE2 | CD2 | HD2 | 120.0° | 119.5° |
| CD2 | CE2 | CZ | 121.9° | 120.0° |
| CD2 | CE2 | HE2 | 118.5° | 119.2° |
| CZ | CE1 | HE1 | 119.7° | 120.7° |
| CE1 | CZ | CE2 | 117.4° | 120.0° |
| CE1 | CZ | N1 | 121.9° | 120.0° |
| CZ | CE2 | HE2 | 119.5° | 120.8° |
| CE2 | CZ | N1 | 120.3° | 120.0° |
| CZ | N1 | O1 | 114.3° | 119.0° |
| CZ | N1 | O2 | 115.8° | 119.0° |
| O1 | N1 | O2 | 129.8° | 122.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 166.3° |
| N | CA | C | CB | 122.1° | 123.5° |
| N | CA | C | HA | 119.8° | 115.4° |
| N | CA | CB | HA | 119.8° | 118.2° |
| N | CA | C | O | 39.5° | 34.6° |
| N | CA | C | OXT | 135.9° | 145.1° |
| N | CA | CB | CG | 167.2° | 158.2° |
| N | CA | CB | HB2 | 67.5° | 37.1° |
| N | CA | CB | HB3 | 42.0° | 78.7° |
| H | N | CA | C | 180.0° | 92.9° |
| H | N | CA | CB | 61.3° | 144.2° |
| H | N | CA | HA | 56.9° | 23.0° |
| H2 | N | CA | C | 54.8° | 100.6° |
| H2 | N | CA | CB | 64.0° | 22.3° |
| H2 | N | CA | HA | 177.9° | 143.6° |
| C | CA | CB | HA | 123.1° | 118.3° |
| CA | C | O | OXT | 174.9° | 179.7° |
| CA | C | OXT | HXT | 180.0° | 179.6° |
| C | CA | CB | CG | 50.2° | 78.3° |
| C | CA | CB | HB2 | 175.4° | 160.6° |
| C | CA | CB | HB3 | 75.1° | 44.8° |
| CB | CA | C | O | 82.6° | 88.9° |
| CB | CA | C | OXT | 102.0° | 91.4° |
| CA | CB | CG | HB2 | 125.2° | 122.5° |
| CA | CB | CG | HB3 | 125.3° | 123.3° |
| CA | CB | HB2 | HB3 | 116.8° | 118.9° |
| CA | CB | CG | CD1 | 60.1° | 90.0° |
| CA | CB | CG | CD2 | 113.3° | 90.0° |
| HA | CA | C | O | 159.2° | 150.0° |
| HA | CA | C | OXT | 16.2° | 29.7° |
| HA | CA | CB | CG | 72.9° | 40.0° |
| HA | CA | CB | HB2 | 52.3° | 81.1° |
| HA | CA | CB | HB3 | 161.8° | 163.1° |
| O | C | OXT | HXT | 5.1° | 0.1° |
| CG | CB | HB2 | HB3 | 116.8° | 117.1° |
| CB | CG | CD1 | CD2 | 173.3° | 180.0° |
| CB | CG | CD1 | CE1 | 172.0° | 180.0° |
| CB | CG | CD1 | HD1 | 8.0° | 0.0° |
| CB | CG | CD2 | CE2 | 172.4° | 180.0° |
| CB | CG | CD2 | HD2 | 7.6° | 0.1° |
| HB2 | CB | CG | CD1 | 65.2° | 147.5° |
| HB2 | CB | CG | CD2 | 121.4° | 32.4° |
| HB3 | CB | CG | CD1 | 174.7° | 33.4° |
| HB3 | CB | CG | CD2 | 11.9° | 146.6° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.3° | 0.0° |
| CD1 | CG | CD2 | HD2 | 178.8° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD2 | CG | CD1 | CE1 | 1.3° | 0.0° |
| CD2 | CG | CD1 | HD1 | 178.7° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.8° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 1.5° | 0.0° |
| CD1 | CE1 | CZ | N1 | 171.5° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 1.5° | 0.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | N1 | 171.5° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.8° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.2° | 0.0° |
| CE1 | CZ | CE2 | N1 | 173.1° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 178.5° | 180.0° |
| CE1 | CZ | N1 | O1 | 171.6° | 180.0° |
| CE1 | CZ | N1 | O2 | 8.6° | 0.1° |
| HE1 | CE1 | CZ | CE2 | 178.5° | 180.0° |
| HE1 | CE1 | CZ | N1 | 8.6° | 0.0° |
| CE2 | CZ | N1 | O1 | 1.1° | 0.1° |
| CE2 | CZ | N1 | O2 | 178.6° | 180.0° |
| HE2 | CE2 | CZ | N1 | 8.5° | 0.1° |
| CZ | N1 | O1 | O2 | 179.7° | 179.9° |
