NCY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.47Å | |
| N | CN | sing | 1.46Å | 1.48Å | |
| N | H | sing | 1.03Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | C | sing | 1.52Å | 1.52Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CB | SG | sing | 1.82Å | 1.82Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| SG | HG | sing | 1.34Å | 1.30Å | |
| CN | HCN1 | sing | 1.09Å | 1.10Å | |
| CN | HCN2 | sing | 1.09Å | 1.10Å | |
| CN | HCN3 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.24Å | |
| C | OXT | sing | 1.35Å | 14.92Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CN | 115.3° | 111.5° |
| CA | N | H | 107.6° | 110.0° |
| N | CA | CB | 111.9° | 112.0° |
| N | CA | C | 110.5° | 111.9° |
| N | CA | HA | 107.8° | 105.2° |
| CN | N | H | 107.6° | 108.5° |
| N | CN | HCN1 | 109.4° | 110.1° |
| N | CN | HCN2 | 109.4° | 110.2° |
| N | CN | HCN3 | 109.5° | 110.2° |
| CB | CA | C | 111.6° | 112.4° |
| CB | CA | HA | 106.7° | 108.8° |
| CA | CB | SG | 108.2° | 113.8° |
| CA | CB | HB2 | 110.1° | 109.8° |
| CA | CB | HB3 | 109.9° | 110.4° |
| C | CA | HA | 108.1° | 106.0° |
| CA | C | O | 119.0° | 123.7° |
| CA | C | OXT | 142.1° | 113.3° |
| SG | CB | HB2 | 110.2° | 107.3° |
| SG | CB | HB3 | 109.9° | 107.7° |
| CB | SG | HG | 109.5° | 95.7° |
| HB2 | CB | HB3 | 108.5° | 107.6° |
| HCN1 | CN | HCN2 | 109.5° | 108.8° |
| HCN1 | CN | HCN3 | 109.4° | 108.8° |
| HCN2 | CN | HCN3 | 109.5° | 108.7° |
| O | C | OXT | 28.3° | 123.0° |
| C | OXT | HXT | 142.1° | 111.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CN | H | 120.0° | 121.3° |
| N | CA | CB | C | 124.5° | 127.0° |
| N | CA | CB | HA | 117.7° | 115.9° |
| N | CA | C | HA | 117.8° | 114.2° |
| N | CA | CB | SG | 35.2° | 172.7° |
| N | CA | CB | HB2 | 155.7° | 67.0° |
| N | CA | CB | HB3 | 84.7° | 51.6° |
| CA | N | CN | HCN1 | 179.3° | 77.4° |
| CA | N | CN | HCN2 | 59.2° | 42.6° |
| CA | N | CN | HCN3 | 60.8° | 162.6° |
| N | CA | C | O | 112.2° | 65.8° |
| N | CA | C | OXT | 90.0° | 114.9° |
| CN | N | CA | CB | 65.3° | 173.2° |
| CN | N | CA | C | 59.8° | 59.5° |
| CN | N | CA | HA | 177.7° | 55.2° |
| N | CN | HCN1 | HCN2 | 120.0° | 120.9° |
| N | CN | HCN1 | HCN3 | 120.0° | 120.9° |
| N | CN | HCN2 | HCN3 | 120.0° | 120.9° |
| H | N | CA | CB | 54.7° | 52.7° |
| H | N | CA | C | 179.8° | 180.0° |
| H | N | CA | HA | 62.3° | 65.3° |
| H | N | CN | HCN1 | 59.3° | 161.2° |
| H | N | CN | HCN2 | 60.7° | 78.7° |
| H | N | CN | HCN3 | 179.2° | 41.3° |
| CB | CA | C | HA | 117.0° | 118.7° |
| CA | CB | SG | HB2 | 120.5° | 121.7° |
| CA | CB | SG | HB3 | 120.0° | 122.7° |
| CA | CB | HB2 | HB3 | 120.4° | 120.2° |
| CA | CB | SG | HG | 171.1° | 8.0° |
| CB | CA | C | O | 13.0° | 61.2° |
| CB | CA | C | OXT | 35.2° | 118.0° |
| C | CA | CB | SG | 159.7° | 60.2° |
| C | CA | CB | HB2 | 79.8° | 60.0° |
| C | CA | CB | HB3 | 39.7° | 178.6° |
| CA | C | O | OXT | 150.8° | 179.2° |
| CA | C | OXT | HXT | 180.0° | 179.3° |
| HA | CA | CB | SG | 82.4° | 56.9° |
| HA | CA | CB | HB2 | 38.1° | 177.1° |
| HA | CA | CB | HB3 | 157.6° | 64.3° |
| HA | CA | C | O | 130.1° | 180.0° |
| HA | CA | C | OXT | 152.2° | 0.7° |
| SG | CB | HB2 | HB3 | 120.3° | 115.6° |
| HB2 | CB | SG | HG | 50.6° | 129.7° |
| HB3 | CB | SG | HG | 68.9° | 114.7° |
| HCN1 | CN | HCN2 | HCN3 | 120.0° | 118.3° |
| O | C | OXT | HXT | 136.0° | 0.0° |
