XSN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | N1 | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OD2 | CG | doub | 1.21Å | 1.25Å | |
| CG | OD1 | sing | 1.34Å | 1.25Å | |
| OD1 | HOD1 | sing | 0.97Å | 0.95Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 119.4° | 120.0° |
| CA | C | N1 | 118.2° | 120.0° |
| C | CA | N | 110.4° | 109.5° |
| C | CA | CB | 111.3° | 109.4° |
| C | CA | HA | 107.7° | 109.5° |
| O | C | N1 | 122.4° | 120.0° |
| C | N1 | HN1 | 120.0° | 120.1° |
| C | N1 | HN1A | 120.0° | 120.0° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| N | CA | CB | 109.7° | 109.4° |
| N | CA | HA | 109.3° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| CB | CA | HA | 108.4° | 109.5° |
| CA | CB | CG | 111.9° | 109.5° |
| CA | CB | HB | 108.6° | 109.5° |
| CA | CB | HBA | 108.7° | 109.5° |
| CG | CB | HB | 108.6° | 109.5° |
| CG | CB | HBA | 108.7° | 109.4° |
| CB | CG | OD2 | 118.4° | 120.0° |
| CB | CG | OD1 | 118.1° | 120.0° |
| HB | CB | HBA | 110.3° | 109.4° |
| OD2 | CG | OD1 | 123.5° | 120.0° |
| CG | OD1 | HOD1 | 109.5° | 117.0° |
| HN1 | N1 | HN1A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | N1 | 179.5° | 179.8° |
| C | CA | N | CB | 123.0° | 120.0° |
| C | CA | N | HA | 118.3° | 120.1° |
| C | CA | N | HN | 180.0° | 64.0° |
| C | CA | N | HNA | 60.0° | 60.0° |
| C | CA | CB | HA | 118.2° | 120.0° |
| C | CA | CB | CG | 179.0° | 175.0° |
| C | CA | CB | HB | 59.0° | 65.0° |
| C | CA | CB | HBA | 61.0° | 55.0° |
| CA | C | N1 | HN1 | 179.5° | 179.8° |
| CA | C | N1 | HN1A | 0.4° | 0.3° |
| O | C | CA | N | 0.8° | 20.2° |
| O | C | CA | CB | 122.9° | 99.7° |
| O | C | CA | HA | 118.4° | 140.3° |
| O | C | N1 | HN1 | 0.0° | 0.0° |
| O | C | N1 | HN1A | 180.0° | 180.0° |
| N1 | C | CA | N | 179.6° | 160.0° |
| N1 | C | CA | CB | 57.6° | 80.0° |
| N1 | C | CA | HA | 61.1° | 40.0° |
| C | N1 | HN1 | HN1A | 180.0° | 180.0° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | CB | HA | 119.3° | 120.0° |
| N | CA | CB | CG | 56.6° | 65.0° |
| N | CA | CB | HB | 63.4° | 55.0° |
| N | CA | CB | HBA | 176.6° | 175.0° |
| HN | N | CA | CB | 57.0° | 176.1° |
| HN | N | CA | HA | 61.7° | 56.1° |
| HNA | N | CA | CB | 177.0° | 60.0° |
| HNA | N | CA | HA | 58.3° | 180.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 119.0° | 120.0° |
| CA | CB | CG | OD2 | 98.2° | 0.0° |
| CA | CB | CG | OD1 | 80.5° | 180.0° |
| HA | CA | CB | CG | 62.8° | 55.0° |
| HA | CA | CB | HB | 177.3° | 175.0° |
| HA | CA | CB | HBA | 57.3° | 65.0° |
| CG | CB | HB | HBA | 119.0° | 119.9° |
| CB | CG | OD2 | OD1 | 178.6° | 180.0° |
| CB | CG | OD1 | HOD1 | 178.6° | 180.0° |
| HB | CB | CG | OD2 | 21.8° | 120.0° |
| HB | CB | CG | OD1 | 159.6° | 60.0° |
| HBA | CB | CG | OD2 | 141.8° | 120.0° |
| HBA | CB | CG | OD1 | 39.6° | 60.0° |
| OD2 | CG | OD1 | HOD1 | 0.0° | 0.0° |
