NYB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.51Å | |
| N | CN | sing | 1.47Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.62Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| CB | SG | sing | 1.81Å | 1.81Å | |
| SG | CD | sing | 1.81Å | 1.82Å | |
| CD | CE1 | sing | 1.53Å | 1.53Å | |
| CD | CE2 | sing | 1.53Å | 1.55Å | |
| CE2 | CF | sing | 1.53Å | 1.55Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CN | HN1 | sing | 1.09Å | 1.10Å | |
| CN | HN2 | sing | 1.09Å | 1.10Å | |
| CN | HN3 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CE1 | HE11 | sing | 1.09Å | 1.10Å | |
| CE1 | HE12 | sing | 1.09Å | 1.10Å | |
| CE1 | HE13 | sing | 1.09Å | 1.10Å | |
| CE2 | HE21 | sing | 1.09Å | 1.10Å | |
| CE2 | HE22 | sing | 1.09Å | 1.10Å | |
| CF | HF1 | sing | 1.09Å | 1.10Å | |
| CF | HF2 | sing | 1.09Å | 1.10Å | |
| CF | HF3 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CN | 115.9° | 111.0° |
| N | CA | CB | 105.8° | 109.5° |
| N | CA | C | 112.9° | 109.4° |
| CA | N | H | 107.4° | 111.0° |
| N | CA | HA | 110.3° | 109.5° |
| CN | N | H | 107.4° | 111.0° |
| N | CN | HN1 | 109.5° | 109.5° |
| N | CN | HN2 | 109.4° | 109.5° |
| N | CN | HN3 | 109.5° | 109.5° |
| CB | CA | C | 111.3° | 109.5° |
| CA | CB | SG | 118.8° | 109.5° |
| CB | CA | HA | 112.0° | 109.5° |
| CA | CB | HB1 | 106.5° | 109.4° |
| CA | CB | HB2 | 104.3° | 109.5° |
| CA | C | O | 118.9° | 120.0° |
| CA | C | OXT | 119.8° | 120.0° |
| C | CA | HA | 104.7° | 109.5° |
| CB | SG | CD | 100.7° | 103.0° |
| SG | CB | HB1 | 106.5° | 109.4° |
| SG | CB | HB2 | 104.3° | 109.4° |
| SG | CD | CE1 | 112.4° | 109.4° |
| SG | CD | CE2 | 114.4° | 109.4° |
| SG | CD | HD | 103.3° | 109.5° |
| CE1 | CD | CE2 | 108.1° | 109.5° |
| CE1 | CD | HD | 110.3° | 109.5° |
| CD | CE1 | HE11 | 109.5° | 109.5° |
| CD | CE1 | HE12 | 109.4° | 109.5° |
| CD | CE1 | HE13 | 109.4° | 109.5° |
| CD | CE2 | CF | 112.2° | 109.5° |
| CE2 | CD | HD | 108.1° | 109.5° |
| CD | CE2 | HE21 | 108.6° | 109.5° |
| CD | CE2 | HE22 | 108.0° | 109.5° |
| CF | CE2 | HE21 | 108.5° | 109.5° |
| CF | CE2 | HE22 | 107.9° | 109.5° |
| CE2 | CF | HF1 | 109.5° | 109.5° |
| CE2 | CF | HF2 | 109.4° | 109.5° |
| CE2 | CF | HF3 | 109.4° | 109.5° |
| O | C | OXT | 121.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HN1 | CN | HN2 | 109.5° | 109.4° |
| HN1 | CN | HN3 | 109.4° | 109.5° |
| HN2 | CN | HN3 | 109.5° | 109.4° |
| HB1 | CB | HB2 | 117.1° | 109.5° |
| HE11 | CE1 | HE12 | 109.5° | 109.5° |
| HE11 | CE1 | HE13 | 109.5° | 109.4° |
| HE12 | CE1 | HE13 | 109.5° | 109.4° |
| HE21 | CE2 | HE22 | 111.6° | 109.4° |
| HF1 | CF | HF2 | 109.5° | 109.4° |
| HF1 | CF | HF3 | 109.5° | 109.5° |
| HF2 | CF | HF3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CN | H | 120.0° | 123.9° |
| N | CA | CB | C | 123.0° | 119.9° |
| N | CA | CB | HA | 120.2° | 120.0° |
| N | CA | C | HA | 120.0° | 120.0° |
| N | CA | CB | SG | 83.4° | 60.0° |
| N | CA | C | O | 109.6° | 26.3° |
| N | CA | C | OXT | 70.7° | 153.7° |
| CA | N | CN | HN1 | 131.9° | 59.2° |
| CA | N | CN | HN2 | 11.9° | 60.7° |
| CA | N | CN | HN3 | 108.1° | 179.3° |
| N | CA | CB | HB1 | 156.6° | 59.9° |
| N | CA | CB | HB2 | 32.1° | 180.0° |
| CN | N | CA | CB | 69.9° | 155.7° |
| CN | N | CA | C | 52.1° | 84.4° |
| CN | N | CA | HA | 168.8° | 35.6° |
| N | CN | HN1 | HN2 | 120.0° | 120.0° |
| N | CN | HN1 | HN3 | 120.0° | 120.1° |
| N | CN | HN2 | HN3 | 120.0° | 120.0° |
| CB | CA | C | HA | 121.2° | 120.1° |
| CA | CB | SG | HB1 | 120.0° | 119.9° |
| CA | CB | SG | HB2 | 115.6° | 120.0° |
| CA | CB | SG | CD | 163.9° | 180.0° |
| CB | CA | C | O | 9.2° | 93.7° |
| CB | CA | C | OXT | 170.5° | 86.4° |
| CB | CA | N | H | 50.1° | 80.4° |
| CA | CB | HB1 | HB2 | 116.2° | 120.1° |
| C | CA | CB | SG | 39.6° | 180.0° |
| CA | C | O | OXT | 179.7° | 180.0° |
| C | CA | N | H | 172.1° | 39.5° |
| C | CA | CB | HB1 | 80.4° | 60.0° |
| C | CA | CB | HB2 | 155.1° | 60.1° |
| CA | C | OXT | HXT | 179.7° | 180.0° |
| CB | SG | CD | CE1 | 165.4° | 65.0° |
| CB | SG | CD | CE2 | 70.8° | 175.0° |
| SG | CB | CA | HA | 156.4° | 60.0° |
| SG | CB | HB1 | HB2 | 116.2° | 120.0° |
| CB | SG | CD | HD | 46.5° | 55.0° |
| SG | CD | CE1 | CE2 | 127.2° | 120.0° |
| SG | CD | CE1 | HD | 114.8° | 120.0° |
| SG | CD | CE2 | HD | 114.5° | 120.0° |
| SG | CD | CE2 | CF | 168.2° | 65.0° |
| CD | SG | CB | HB1 | 76.1° | 60.1° |
| CD | SG | CB | HB2 | 48.3° | 60.0° |
| SG | CD | CE1 | HE11 | 165.9° | 60.0° |
| SG | CD | CE1 | HE12 | 45.9° | 60.0° |
| SG | CD | CE1 | HE13 | 74.1° | 180.0° |
| SG | CD | CE2 | HE21 | 48.3° | 55.0° |
| SG | CD | CE2 | HE22 | 72.9° | 175.0° |
| CE1 | CD | CE2 | HD | 119.4° | 120.1° |
| CE1 | CD | CE2 | CF | 65.7° | 175.0° |
| CD | CE1 | HE11 | HE12 | 120.0° | 120.1° |
| CD | CE1 | HE11 | HE13 | 120.0° | 120.0° |
| CD | CE1 | HE12 | HE13 | 120.0° | 120.0° |
| CE1 | CD | CE2 | HE21 | 174.4° | 64.9° |
| CE1 | CD | CE2 | HE22 | 53.2° | 55.0° |
| CD | CE2 | CF | HE21 | 120.0° | 120.1° |
| CD | CE2 | CF | HE22 | 118.9° | 120.0° |
| CE2 | CD | CE1 | HE11 | 38.6° | 59.9° |
| CE2 | CD | CE1 | HE12 | 81.4° | 180.0° |
| CE2 | CD | CE1 | HE13 | 158.6° | 60.0° |
| CD | CE2 | HE21 | HE22 | 118.9° | 120.0° |
| CD | CE2 | CF | HF1 | 133.9° | 59.9° |
| CD | CE2 | CF | HF2 | 106.1° | 60.0° |
| CD | CE2 | CF | HF3 | 13.9° | 180.0° |
| CF | CE2 | CD | HD | 53.7° | 55.0° |
| CF | CE2 | HE21 | HE22 | 118.9° | 120.0° |
| CE2 | CF | HF1 | HF2 | 120.0° | 120.0° |
| CE2 | CF | HF1 | HF3 | 120.0° | 120.1° |
| CE2 | CF | HF2 | HF3 | 119.9° | 120.0° |
| O | C | CA | HA | 130.4° | 146.3° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 49.3° | 33.7° |
| H | N | CA | HA | 71.2° | 159.5° |
| H | N | CN | HN1 | 108.1° | 176.8° |
| H | N | CN | HN2 | 131.9° | 63.3° |
| H | N | CN | HN3 | 11.9° | 56.7° |
| HA | CA | CB | HB1 | 36.4° | 180.0° |
| HA | CA | CB | HB2 | 88.0° | 60.0° |
| HN1 | CN | HN2 | HN3 | 120.0° | 120.0° |
| HD | CD | CE1 | HE11 | 79.4° | 180.0° |
| HD | CD | CE1 | HE12 | 160.7° | 59.9° |
| HD | CD | CE1 | HE13 | 40.6° | 60.0° |
| HD | CD | CE2 | HE21 | 66.3° | 175.0° |
| HD | CD | CE2 | HE22 | 172.5° | 65.1° |
| HE11 | CE1 | HE12 | HE13 | 120.0° | 119.9° |
| HE21 | CE2 | CF | HF1 | 13.9° | NaN° |
| HE21 | CE2 | CF | HF2 | 134.0° | 60.0° |
| HE21 | CE2 | CF | HF3 | 106.1° | 59.9° |
| HE22 | CE2 | CF | HF1 | 107.2° | 60.1° |
| HE22 | CE2 | CF | HF2 | 12.8° | 180.0° |
| HE22 | CE2 | CF | HF3 | 132.8° | 60.0° |
| HF1 | CF | HF2 | HF3 | 120.0° | 120.0° |
