NEP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | ND1 | sing | 1.34Å | 1.37Å | Aromatic |
| CG | CD2 | doub | 1.35Å | 1.36Å | Aromatic |
| ND1 | CE1 | doub | 1.30Å | 1.32Å | Aromatic |
| CD2 | NE2 | sing | 1.37Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | NE2 | sing | 1.35Å | 1.32Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| NE2 | P | sing | 1.64Å | 1.83Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O3P | doub | 1.48Å | 1.46Å | |
| O1P | HOP1 | sing | 0.97Å | 0.95Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.8° | 106.7° |
| CA | N | H2 | 111.7° | 106.6° |
| N | CA | C | 110.8° | 109.5° |
| N | CA | CB | 111.8° | 109.5° |
| N | CA | HA | 106.2° | 109.5° |
| H | N | H2 | 111.8° | 106.7° |
| C | CA | CB | 106.9° | 109.5° |
| C | CA | HA | 111.1° | 109.4° |
| CA | C | O | 121.6° | 119.9° |
| CA | C | OXT | 114.8° | 120.1° |
| CB | CA | HA | 110.1° | 109.4° |
| CA | CB | CG | 113.5° | 109.5° |
| CA | CB | HB2 | 110.7° | 109.4° |
| CA | CB | HB3 | 110.7° | 109.5° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 114.9° | 120.1° |
| CG | CB | HB2 | 110.8° | 109.5° |
| CG | CB | HB3 | 110.8° | 109.5° |
| CB | CG | ND1 | 122.0° | 126.0° |
| CB | CG | CD2 | 131.6° | 126.0° |
| HB2 | CB | HB3 | 99.5° | 109.4° |
| ND1 | CG | CD2 | 106.3° | 108.0° |
| CG | ND1 | CE1 | 109.5° | 109.3° |
| CG | CD2 | NE2 | 106.9° | 106.8° |
| CG | CD2 | HD2 | 126.0° | 126.7° |
| ND1 | CE1 | NE2 | 108.4° | 108.7° |
| ND1 | CE1 | HE1 | 125.8° | 125.7° |
| NE2 | CD2 | HD2 | 127.1° | 126.5° |
| CD2 | NE2 | CE1 | 108.9° | 107.1° |
| CD2 | NE2 | P | 130.4° | 126.5° |
| NE2 | CE1 | HE1 | 125.8° | 125.6° |
| CE1 | NE2 | P | 120.0° | 126.4° |
| NE2 | P | O1P | 109.6° | 109.5° |
| NE2 | P | O2P | 105.8° | 109.4° |
| NE2 | P | O3P | 98.9° | 109.4° |
| O1P | P | O2P | 110.8° | 109.5° |
| O1P | P | O3P | 110.0° | 109.5° |
| P | O1P | HOP1 | 109.6° | 106.8° |
| O2P | P | O3P | 120.6° | 109.4° |
| P | O2P | HOP2 | 105.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.7° |
| N | CA | C | CB | 122.0° | 120.1° |
| N | CA | C | HA | 117.8° | 120.0° |
| N | CA | CB | HA | 117.8° | 120.0° |
| N | CA | C | O | 47.8° | 30.0° |
| N | CA | C | OXT | 135.3° | 150.0° |
| N | CA | CB | CG | 65.6° | 59.9° |
| N | CA | CB | HB2 | 59.8° | 60.0° |
| N | CA | CB | HB3 | 169.2° | 180.0° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | CB | 60.9° | 53.8° |
| H | N | CA | HA | 59.2° | 66.2° |
| H2 | N | CA | C | 54.7° | 60.1° |
| H2 | N | CA | CB | 64.4° | 60.0° |
| H2 | N | CA | HA | 175.5° | 180.0° |
| C | CA | CB | HA | 120.8° | 119.9° |
| CA | C | O | OXT | 176.6° | 180.0° |
| C | CA | CB | CG | 173.0° | 180.0° |
| C | CA | CB | HB2 | 61.7° | 60.1° |
| C | CA | CB | HB3 | 47.7° | 59.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 74.2° | 90.1° |
| CB | CA | C | OXT | 102.6° | 90.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 116.6° | 120.0° |
| CA | CB | CG | ND1 | 157.5° | 60.4° |
| CA | CB | CG | CD2 | 26.6° | 120.0° |
| HA | CA | C | O | 165.6° | 150.0° |
| HA | CA | C | OXT | 17.5° | 30.0° |
| HA | CA | CB | CG | 52.2° | 60.0° |
| HA | CA | CB | HB2 | 177.6° | 180.0° |
| HA | CA | CB | HB3 | 73.1° | 60.0° |
| O | C | OXT | HXT | 3.2° | 0.0° |
| CG | CB | HB2 | HB3 | 116.6° | 120.0° |
| CB | CG | ND1 | CD2 | 176.8° | 179.7° |
| CB | CG | ND1 | CE1 | 176.3° | 179.9° |
| CB | CG | CD2 | NE2 | 175.7° | 180.0° |
| CB | CG | CD2 | HD2 | 4.3° | 0.1° |
| HB2 | CB | CG | ND1 | 32.2° | 179.6° |
| HB2 | CB | CG | CD2 | 151.9° | 0.0° |
| HB3 | CB | CG | ND1 | 77.2° | 59.6° |
| HB3 | CB | CG | CD2 | 98.6° | 120.0° |
| ND1 | CG | CD2 | NE2 | 0.6° | 0.3° |
| ND1 | CG | CD2 | HD2 | 179.4° | 179.7° |
| CG | ND1 | CE1 | NE2 | 0.1° | 0.4° |
| CG | ND1 | CE1 | HE1 | 179.9° | 179.8° |
| CD2 | CG | ND1 | CE1 | 0.5° | 0.4° |
| CG | CD2 | NE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | NE2 | CE1 | 0.6° | 0.1° |
| CG | CD2 | NE2 | P | 171.0° | 180.0° |
| ND1 | CE1 | NE2 | CD2 | 0.3° | 0.2° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 179.8° |
| ND1 | CE1 | NE2 | P | 171.9° | 179.7° |
| CD2 | NE2 | CE1 | P | 171.5° | 179.9° |
| CD2 | NE2 | CE1 | HE1 | 179.7° | 180.0° |
| CD2 | NE2 | P | O1P | 152.0° | 180.0° |
| CD2 | NE2 | P | O2P | 88.5° | 60.0° |
| CD2 | NE2 | P | O3P | 36.9° | 59.9° |
| HD2 | CD2 | NE2 | CE1 | 179.4° | 179.9° |
| HD2 | CD2 | NE2 | P | 9.0° | 0.0° |
| CE1 | NE2 | P | O1P | 17.5° | 0.1° |
| CE1 | NE2 | P | O2P | 102.0° | 120.1° |
| CE1 | NE2 | P | O3P | 132.6° | 119.9° |
| HE1 | CE1 | NE2 | P | 8.1° | 0.1° |
| NE2 | P | O1P | O2P | 116.4° | 120.0° |
| NE2 | P | O1P | O3P | 107.7° | 120.0° |
| NE2 | P | O2P | O3P | 110.7° | 119.9° |
| NE2 | P | O1P | HOP1 | 179.9° | 180.0° |
| NE2 | P | O2P | HOP2 | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 130.6° | 120.0° |
| O1P | P | O2P | HOP2 | 61.3° | 60.1° |
| O2P | P | O1P | HOP1 | 63.6° | 59.9° |
| O3P | P | O1P | HOP1 | 72.3° | 60.0° |
| O3P | P | O2P | HOP2 | 69.3° | 179.9° |
