IML
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | CN | sing | 1.47Å | 1.50Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.59Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CB | CG1 | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.12Å | |
| CN | HN1 | sing | 1.09Å | 1.12Å | |
| CN | HN2 | sing | 1.09Å | 1.12Å | |
| CN | HN3 | sing | 1.09Å | 1.12Å | |
| CG2 | HG21 | sing | 1.09Å | 1.12Å | |
| CG2 | HG22 | sing | 1.09Å | 1.11Å | |
| CG2 | HG23 | sing | 1.09Å | 1.11Å | |
| CG1 | CD1 | sing | 1.53Å | 1.53Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CG1 | HG13 | sing | 1.09Å | 1.12Å | |
| CD1 | HD11 | sing | 1.09Å | 1.11Å | |
| CD1 | HD12 | sing | 1.09Å | 1.11Å | |
| CD1 | HD13 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CN | 120.1° | 106.7° |
| CA | N | H | 108.4° | 106.7° |
| N | CA | C | 105.7° | 109.5° |
| N | CA | CB | 114.7° | 109.5° |
| N | CA | HA | 107.8° | 109.4° |
| CN | N | H | 108.4° | 106.7° |
| N | CN | HN1 | 120.1° | 109.5° |
| N | CN | HN2 | 108.4° | 109.5° |
| N | CN | HN3 | 108.4° | 109.5° |
| C | CA | CB | 107.1° | 109.5° |
| C | CA | HA | 115.4° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| CA | C | OXT | 120.8° | 120.0° |
| CB | CA | HA | 106.4° | 109.5° |
| CA | CB | CG2 | 105.8° | 109.5° |
| CA | CB | CG1 | 114.9° | 109.5° |
| CA | CB | HB | 108.5° | 109.5° |
| O | C | OXT | 119.2° | 120.0° |
| C | OXT | HXT | 120.8° | 120.1° |
| CG2 | CB | CG1 | 109.9° | 109.5° |
| CG2 | CB | HB | 113.7° | 109.4° |
| CB | CG2 | HG21 | 105.8° | 109.5° |
| CB | CG2 | HG22 | 113.6° | 109.5° |
| CB | CG2 | HG23 | 113.6° | 109.4° |
| CG1 | CB | HB | 104.3° | 109.4° |
| CB | CG1 | CD1 | 112.4° | 109.5° |
| CB | CG1 | HG12 | 111.1° | 109.5° |
| CB | CG1 | HG13 | 111.1° | 109.4° |
| HN1 | CN | HN2 | 108.4° | 109.5° |
| HN1 | CN | HN3 | 108.4° | 109.5° |
| HN2 | CN | HN3 | 101.5° | 109.4° |
| HG21 | CG2 | HG22 | 113.5° | 109.5° |
| HG21 | CG2 | HG23 | 113.6° | 109.5° |
| HG22 | CG2 | HG23 | 96.9° | 109.5° |
| CD1 | CG1 | HG12 | 111.1° | 109.5° |
| CD1 | CG1 | HG13 | 111.2° | 109.4° |
| CG1 | CD1 | HD11 | 112.4° | 109.5° |
| CG1 | CD1 | HD12 | 111.1° | 109.4° |
| CG1 | CD1 | HD13 | 111.1° | 109.5° |
| HG12 | CG1 | HG13 | 99.2° | 109.4° |
| HD11 | CD1 | HD12 | 111.1° | 109.5° |
| HD11 | CD1 | HD13 | 111.2° | 109.4° |
| HD12 | CD1 | HD13 | 99.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CN | H | 125.2° | 113.8° |
| N | CA | C | CB | 122.8° | 120.0° |
| N | CA | C | HA | 119.0° | 120.0° |
| N | CA | CB | HA | 119.1° | 120.0° |
| N | CA | C | O | 75.6° | 150.0° |
| N | CA | C | OXT | 103.5° | 30.0° |
| N | CA | CB | CG2 | 171.8° | 60.0° |
| N | CA | CB | CG1 | 50.4° | 179.9° |
| N | CA | CB | HB | 65.9° | 60.0° |
| CA | N | CN | HN1 | 180.0° | 180.0° |
| CA | N | CN | HN2 | 54.7° | 60.0° |
| CA | N | CN | HN3 | 54.7° | 60.0° |
| CN | N | CA | C | 74.3° | 90.0° |
| CN | N | CA | CB | 43.4° | 150.0° |
| CN | N | CA | HA | 161.8° | 30.0° |
| N | CN | HN1 | HN2 | 125.3° | 120.0° |
| N | CN | HN1 | HN3 | 125.3° | 120.0° |
| N | CN | HN2 | HN3 | 114.1° | 120.0° |
| H | N | CA | C | 50.9° | 23.8° |
| H | N | CA | CB | 168.7° | 96.2° |
| H | N | CA | HA | 73.0° | 143.8° |
| H | N | CN | HN1 | 54.8° | 66.2° |
| H | N | CN | HN2 | 70.5° | 173.8° |
| H | N | CN | HN3 | 180.0° | 53.8° |
| C | CA | CB | HA | 123.9° | 120.0° |
| CA | C | O | OXT | 179.1° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| C | CA | CB | CG2 | 71.3° | 60.0° |
| C | CA | CB | CG1 | 167.3° | 60.1° |
| C | CA | CB | HB | 51.0° | 180.0° |
| CB | CA | C | O | 47.2° | 90.0° |
| CB | CA | C | OXT | 133.7° | 90.0° |
| CA | CB | CG2 | CG1 | 124.6° | 120.1° |
| CA | CB | CG2 | HB | 119.0° | 120.0° |
| CA | CB | CG1 | HB | 118.7° | 120.0° |
| CA | CB | CG2 | HG21 | 180.0° | 60.0° |
| CA | CB | CG2 | HG22 | 54.8° | 180.0° |
| CA | CB | CG2 | HG23 | 54.8° | 60.0° |
| CA | CB | CG1 | CD1 | 52.4° | 180.0° |
| CA | CB | CG1 | HG12 | 72.9° | 59.9° |
| CA | CB | CG1 | HG13 | 177.7° | 60.0° |
| HA | CA | C | O | 165.4° | 30.0° |
| HA | CA | C | OXT | 15.5° | 150.0° |
| HA | CA | CB | CG2 | 52.6° | 180.0° |
| HA | CA | CB | CG1 | 68.8° | 60.0° |
| HA | CA | CB | HB | 174.9° | 60.0° |
| O | C | OXT | HXT | 0.9° | 0.0° |
| CG2 | CB | CG1 | HB | 122.2° | 119.9° |
| CB | CG2 | HG21 | HG22 | 125.3° | 120.0° |
| CB | CG2 | HG21 | HG23 | 125.3° | 120.0° |
| CB | CG2 | HG22 | HG23 | 119.6° | 120.0° |
| CG2 | CB | CG1 | CD1 | 66.8° | 59.9° |
| CG2 | CB | CG1 | HG12 | 167.9° | 180.0° |
| CG2 | CB | CG1 | HG13 | 58.5° | 60.0° |
| CG1 | CB | CG2 | HG21 | 55.4° | 60.1° |
| CG1 | CB | CG2 | HG22 | 179.4° | 59.9° |
| CG1 | CB | CG2 | HG23 | 69.9° | 180.0° |
| CB | CG1 | CD1 | HG12 | 125.3° | 120.1° |
| CB | CG1 | CD1 | HG13 | 125.3° | 120.0° |
| CB | CG1 | HG12 | HG13 | 117.0° | 120.0° |
| CB | CG1 | CD1 | HD11 | 180.0° | 179.9° |
| CB | CG1 | CD1 | HD12 | 54.8° | 60.0° |
| CB | CG1 | CD1 | HD13 | 54.7° | 59.9° |
| HB | CB | CG2 | HG21 | 61.0° | 180.0° |
| HB | CB | CG2 | HG22 | 64.2° | 60.0° |
| HB | CB | CG2 | HG23 | 173.7° | 60.1° |
| HB | CB | CG1 | CD1 | 171.1° | 60.0° |
| HB | CB | CG1 | HG12 | 45.8° | 60.1° |
| HB | CB | CG1 | HG13 | 63.6° | 180.0° |
| HN1 | CN | HN2 | HN3 | 114.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 119.5° | 120.0° |
| CD1 | CG1 | HG12 | HG13 | 117.0° | 119.9° |
| CG1 | CD1 | HD11 | HD12 | 125.2° | 120.0° |
| CG1 | CD1 | HD11 | HD13 | 125.3° | 120.0° |
| CG1 | CD1 | HD12 | HD13 | 117.0° | 120.0° |
| HG12 | CG1 | CD1 | HD11 | 54.8° | 59.9° |
| HG12 | CG1 | CD1 | HD12 | 179.9° | 60.1° |
| HG12 | CG1 | CD1 | HD13 | 70.6° | 179.9° |
| HG13 | CG1 | CD1 | HD11 | 54.7° | 60.0° |
| HG13 | CG1 | CD1 | HD12 | 70.5° | 180.0° |
| HG13 | CG1 | CD1 | HD13 | 180.0° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 117.1° | 120.0° |
