IVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CB | CG1 | sing | 1.53Å | 1.52Å | |
| CB | CG2 | sing | 1.53Å | 1.52Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | C | 112.8° | 109.5° |
| CB | CA | HA1 | 108.3° | 109.5° |
| CB | CA | HA2 | 108.4° | 109.4° |
| CA | CB | CG1 | 110.3° | 109.5° |
| CA | CB | CG2 | 110.6° | 109.5° |
| CA | CB | HB | 108.7° | 109.5° |
| C | CA | HA1 | 108.4° | 109.5° |
| C | CA | HA2 | 108.3° | 109.4° |
| CA | C | O | 118.8° | 120.0° |
| CA | C | OXT | 118.4° | 120.0° |
| HA1 | CA | HA2 | 110.6° | 109.5° |
| CG1 | CB | CG2 | 111.0° | 109.5° |
| CG1 | CB | HB | 108.3° | 109.5° |
| CB | CG1 | HG11 | 109.5° | 109.5° |
| CB | CG1 | HG12 | 109.5° | 109.5° |
| CB | CG1 | HG13 | 109.5° | 109.5° |
| CG2 | CB | HB | 108.0° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.4° | 109.5° |
| HG11 | CG1 | HG13 | 109.5° | 109.5° |
| HG12 | CG1 | HG13 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.4° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| O | C | OXT | 122.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | C | HA1 | 120.0° | 120.0° |
| CB | CA | C | HA2 | 120.0° | 119.9° |
| CB | CA | HA1 | HA2 | 118.7° | 120.0° |
| CA | CB | CG1 | CG2 | 122.9° | 120.0° |
| CA | CB | CG1 | HB | 118.8° | 120.0° |
| CA | CB | CG2 | HB | 118.8° | 120.0° |
| CA | CB | CG1 | HG11 | 180.0° | 180.0° |
| CA | CB | CG1 | HG12 | 60.0° | 60.0° |
| CA | CB | CG1 | HG13 | 60.0° | 60.0° |
| CA | CB | CG2 | HG21 | 180.0° | 60.0° |
| CA | CB | CG2 | HG22 | 60.0° | 180.0° |
| CA | CB | CG2 | HG23 | 60.0° | 60.0° |
| CB | CA | C | O | 83.0° | 0.0° |
| CB | CA | C | OXT | 90.9° | 180.0° |
| C | CA | HA1 | HA2 | 118.6° | 120.0° |
| C | CA | CB | CG1 | 155.1° | 65.0° |
| C | CA | CB | CG2 | 81.8° | 175.0° |
| C | CA | CB | HB | 36.5° | 55.0° |
| CA | C | O | OXT | 173.6° | 180.0° |
| CA | C | OXT | HXT | 173.6° | 180.0° |
| HA1 | CA | CB | CG1 | 35.1° | 175.0° |
| HA1 | CA | CB | CG2 | 158.2° | 55.0° |
| HA1 | CA | CB | HB | 83.4° | 65.0° |
| HA1 | CA | C | O | 157.0° | 120.0° |
| HA1 | CA | C | OXT | 29.1° | 60.0° |
| HA2 | CA | CB | CG1 | 84.9° | 55.0° |
| HA2 | CA | CB | CG2 | 38.2° | 65.0° |
| HA2 | CA | CB | HB | 156.5° | 175.0° |
| HA2 | CA | C | O | 37.0° | 120.0° |
| HA2 | CA | C | OXT | 149.1° | 60.0° |
| CG1 | CB | CG2 | HB | 118.5° | 120.0° |
| CB | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| CB | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| CG1 | CB | CG2 | HG21 | 57.3° | 180.0° |
| CG1 | CB | CG2 | HG22 | 177.3° | 60.0° |
| CG1 | CB | CG2 | HG23 | 62.7° | 60.0° |
| CG2 | CB | CG1 | HG11 | 57.1° | 60.0° |
| CG2 | CB | CG1 | HG12 | 62.9° | 180.0° |
| CG2 | CB | CG1 | HG13 | 177.1° | 60.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HB | CB | CG1 | HG11 | 61.2° | 60.0° |
| HB | CB | CG1 | HG12 | 178.8° | 60.0° |
| HB | CB | CG1 | HG13 | 58.8° | 180.0° |
| HB | CB | CG2 | HG21 | 61.2° | 60.0° |
| HB | CB | CG2 | HG22 | 58.8° | 60.0° |
| HB | CB | CG2 | HG23 | 178.8° | 180.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
