81R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.43Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.47Å | |
| CB | CG | sing | 1.53Å | 1.49Å | |
| CG | SD2 | sing | 1.81Å | 1.70Å | |
| CG | CD1 | sing | 1.53Å | 1.55Å | |
| CD1 | SE | sing | 1.81Å | 1.70Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.09Å | 1.10Å | |
| CD1 | H9 | sing | 1.09Å | 1.10Å | |
| SE | H10 | sing | 1.35Å | 1.30Å | |
| SD2 | H11 | sing | 1.35Å | 1.30Å | |
| C | OXT | sing | 1.34Å | 34.48Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.7° | 120.0° |
| O | C | OXT | 28.4° | 120.1° |
| C | CA | N | 104.0° | 109.5° |
| C | CA | CB | 108.1° | 109.5° |
| C | CA | HA | 111.7° | 109.5° |
| CA | C | OXT | 92.5° | 120.0° |
| N | CA | CB | 110.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | HA | 111.2° | 109.5° |
| CA | CB | CG | 117.3° | 109.5° |
| CB | CA | HA | 111.0° | 109.4° |
| CA | CB | H5 | 107.5° | 109.5° |
| CA | CB | H6 | 107.5° | 109.4° |
| CB | CG | SD2 | 111.0° | 109.5° |
| CB | CG | CD1 | 109.2° | 109.5° |
| CG | CB | H5 | 107.5° | 109.5° |
| CG | CB | H6 | 107.5° | 109.5° |
| CB | CG | H7 | 108.8° | 109.5° |
| SD2 | CG | CD1 | 113.4° | 109.5° |
| SD2 | CG | H7 | 106.3° | 109.4° |
| CG | SD2 | H11 | 102.0° | 103.0° |
| CG | CD1 | SE | 116.8° | 109.5° |
| CD1 | CG | H7 | 108.0° | 109.4° |
| CG | CD1 | H8 | 107.6° | 109.4° |
| CG | CD1 | H9 | 107.6° | 109.5° |
| SE | CD1 | H8 | 107.6° | 109.5° |
| SE | CD1 | H9 | 107.6° | 109.5° |
| CD1 | SE | H10 | 102.0° | 103.0° |
| H | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.4° | 109.4° |
| H8 | CD1 | H9 | 109.5° | 109.4° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 3.3° | 180.0° |
| O | C | CA | N | 47.1° | 20.0° |
| O | C | CA | CB | 70.4° | 100.0° |
| O | C | CA | HA | 167.2° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | CA | N | CB | 115.8° | 120.0° |
| C | CA | N | HA | 120.4° | 120.0° |
| C | CA | CB | HA | 122.9° | 120.0° |
| C | CA | CB | CG | 174.1° | 65.9° |
| C | CA | N | H | 180.0° | 55.3° |
| C | CA | N | H2 | 60.0° | 179.2° |
| C | CA | CB | H5 | 64.7° | 174.1° |
| C | CA | CB | H6 | 53.0° | 54.1° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| N | CA | CB | HA | 124.0° | 120.0° |
| N | CA | CB | CG | 72.7° | 174.1° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 48.5° | 54.0° |
| N | CA | CB | H6 | 166.2° | 65.9° |
| N | CA | C | OXT | 43.8° | 160.0° |
| CA | CB | CG | H5 | 121.1° | 120.0° |
| CA | CB | CG | H6 | 121.1° | 120.0° |
| CA | CB | CG | SD2 | 74.9° | 65.4° |
| CA | CB | CG | CD1 | 159.4° | 174.6° |
| CB | CA | N | H | 64.2° | 64.7° |
| CB | CA | N | H2 | 175.8° | 59.2° |
| CA | CB | H5 | H6 | 116.4° | 119.9° |
| CA | CB | CG | H7 | 41.8° | 54.5° |
| CB | CA | C | OXT | 73.7° | 80.0° |
| CB | CG | SD2 | CD1 | 123.4° | 120.0° |
| CB | CG | SD2 | H7 | 118.2° | 120.0° |
| CB | CG | CD1 | H7 | 118.1° | 120.1° |
| CB | CG | CD1 | SE | 54.5° | 180.0° |
| CG | CB | CA | HA | 51.3° | 54.1° |
| CG | CB | H5 | H6 | 116.5° | 120.0° |
| CB | CG | CD1 | H8 | 66.5° | 60.0° |
| CB | CG | CD1 | H9 | 175.6° | 60.0° |
| CB | CG | SD2 | H11 | 180.0° | 60.0° |
| SD2 | CG | CD1 | H7 | 117.5° | 119.9° |
| SD2 | CG | CD1 | SE | 69.8° | 59.9° |
| SD2 | CG | CB | H5 | 46.2° | 54.6° |
| SD2 | CG | CB | H6 | 164.0° | 174.6° |
| SD2 | CG | CD1 | H8 | 169.1° | 60.1° |
| SD2 | CG | CD1 | H9 | 51.3° | 180.0° |
| CG | CD1 | SE | H8 | 121.0° | 120.0° |
| CG | CD1 | SE | H9 | 121.1° | 120.1° |
| CD1 | CG | CB | H5 | 79.5° | 65.4° |
| CD1 | CG | CB | H6 | 38.2° | 54.6° |
| CG | CD1 | H8 | H9 | 116.6° | 120.0° |
| CG | CD1 | SE | H10 | 180.0° | 180.0° |
| CD1 | CG | SD2 | H11 | 56.7° | 60.0° |
| SE | CD1 | CG | H7 | 172.7° | 60.0° |
| SE | CD1 | H8 | H9 | 116.7° | 120.0° |
| H | N | CA | HA | 59.6° | 175.2° |
| H2 | N | CA | HA | 60.4° | 60.9° |
| HA | CA | CB | H5 | 172.4° | 66.0° |
| HA | CA | CB | H6 | 69.8° | 174.1° |
| HA | CA | C | OXT | 163.9° | 40.0° |
| H5 | CB | CG | H7 | 162.9° | 174.6° |
| H6 | CB | CG | H7 | 79.4° | 65.4° |
| H7 | CG | CD1 | H8 | 51.6° | 180.0° |
| H7 | CG | CD1 | H9 | 66.3° | 60.1° |
| H7 | CG | SD2 | H11 | 61.8° | 180.0° |
| H8 | CD1 | SE | H10 | 58.9° | 60.1° |
| H9 | CD1 | SE | H10 | 58.9° | 59.9° |
