ORD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CD | NE | sing | 1.47Å | 1.48Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| NE | HE1 | sing | 1.01Å | 1.00Å | |
| NE | HE2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 111.0° | 109.4° |
| N | CA | C | 107.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.1° | 109.5° |
| CB | CA | C | 107.7° | 109.4° |
| CA | CB | CG | 117.0° | 109.5° |
| CB | CA | HA | 109.1° | 109.5° |
| CA | CB | HB2 | 107.0° | 109.5° |
| CA | CB | HB3 | 105.3° | 109.5° |
| CA | C | O | 119.5° | 120.0° |
| CA | C | OXT | 118.4° | 120.0° |
| C | CA | HA | 112.2° | 109.5° |
| CB | CG | CD | 112.3° | 109.5° |
| CG | CB | HB2 | 107.0° | 109.4° |
| CG | CB | HB3 | 105.3° | 109.4° |
| CB | CG | HG2 | 108.5° | 109.5° |
| CB | CG | HG3 | 107.9° | 109.5° |
| CG | CD | NE | 109.4° | 109.5° |
| CD | CG | HG2 | 108.6° | 109.5° |
| CD | CG | HG3 | 107.9° | 109.4° |
| CG | CD | HD2 | 109.5° | 109.5° |
| CG | CD | HD3 | 109.5° | 109.5° |
| NE | CD | HD2 | 109.5° | 109.4° |
| NE | CD | HD3 | 109.5° | 109.5° |
| CD | NE | HE1 | 109.5° | 111.0° |
| CD | NE | HE2 | 109.5° | 111.0° |
| O | C | OXT | 122.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 115.6° | 109.5° |
| HG2 | CG | HG3 | 111.7° | 109.5° |
| HD2 | CD | HD3 | 109.4° | 109.4° |
| HE1 | NE | HE2 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 117.7° | 119.9° |
| N | CA | CB | HA | 120.3° | 120.0° |
| N | CA | C | HA | 120.2° | 120.1° |
| N | CA | CB | CG | 64.0° | 65.0° |
| N | CA | C | O | 57.7° | 20.0° |
| N | CA | C | OXT | 125.6° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 176.0° | 175.0° |
| N | CA | CB | HB3 | 52.5° | 55.0° |
| CB | CA | C | HA | 120.1° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 116.5° | 120.0° |
| CA | CB | CG | CD | 177.0° | 180.0° |
| CB | CA | C | O | 62.0° | 100.0° |
| CB | CA | C | OXT | 114.6° | 80.1° |
| CB | CA | N | H | 152.8° | 60.0° |
| CB | CA | N | H2 | 32.8° | 176.1° |
| CA | CB | HB2 | HB3 | 116.9° | 120.1° |
| CA | CB | CG | HG2 | 57.0° | 60.0° |
| CA | CB | CG | HG3 | 64.2° | 60.0° |
| C | CA | CB | CG | 178.3° | 175.0° |
| CA | C | O | OXT | 176.5° | 180.0° |
| C | CA | N | H | 89.5° | 59.9° |
| C | CA | N | H2 | 150.5° | 64.0° |
| C | CA | CB | HB2 | 58.3° | 55.1° |
| C | CA | CB | HB3 | 65.2° | 65.0° |
| CA | C | OXT | HXT | 176.6° | 180.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 118.8° | 120.0° |
| CB | CG | CD | NE | 174.9° | 180.0° |
| CG | CB | CA | HA | 56.3° | 55.0° |
| CG | CB | HB2 | HB3 | 116.9° | 119.9° |
| CB | CG | HG2 | HG3 | 118.8° | 120.0° |
| CB | CG | CD | HD2 | 65.1° | 60.0° |
| CB | CG | CD | HD3 | 54.9° | 60.0° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | NE | HD3 | 120.0° | 120.1° |
| CD | CG | CB | HB2 | 63.0° | 60.0° |
| CD | CG | CB | HB3 | 60.5° | 60.0° |
| CD | CG | HG2 | HG3 | 118.9° | 120.0° |
| CG | CD | HD2 | HD3 | 120.0° | 120.0° |
| CG | CD | NE | HE1 | 18.0° | 56.0° |
| CG | CD | NE | HE2 | 137.9° | 180.0° |
| NE | CD | CG | HG2 | 54.9° | 60.0° |
| NE | CD | CG | HG3 | 66.3° | 60.0° |
| NE | CD | HD2 | HD3 | 120.0° | 120.0° |
| CD | NE | HE1 | HE2 | 120.0° | 124.0° |
| O | C | CA | HA | 177.9° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 5.5° | 40.0° |
| H | N | CA | HA | 32.6° | 180.0° |
| H2 | N | CA | HA | 87.4° | 56.1° |
| HA | CA | CB | HB2 | 63.7° | 65.0° |
| HA | CA | CB | HB3 | 172.7° | 175.0° |
| HB2 | CB | CG | HG2 | 177.0° | 180.0° |
| HB2 | CB | CG | HG3 | 55.8° | 60.0° |
| HB3 | CB | CG | HG2 | 59.5° | 60.0° |
| HB3 | CB | CG | HG3 | 179.3° | 180.0° |
| HG2 | CG | CD | HD2 | 174.9° | 180.0° |
| HG2 | CG | CD | HD3 | 65.1° | 60.0° |
| HG3 | CG | CD | HD2 | 53.7° | 60.0° |
| HG3 | CG | CD | HD3 | 173.7° | 180.0° |
| HD2 | CD | NE | HE1 | 102.0° | 64.0° |
| HD2 | CD | NE | HE2 | 17.9° | 60.0° |
| HD3 | CD | NE | HE1 | 138.0° | 176.1° |
| HD3 | CD | NE | HE2 | 102.1° | 59.9° |
