BIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| N | CB | sing | 1.47Å | 1.45Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.53Å | |
| CD2 | H1D2 | sing | 1.09Å | 1.10Å | |
| CD2 | H3D2 | sing | 1.09Å | 1.10Å | |
| CD1 | CE1 | sing | 1.53Å | 1.51Å | |
| CE1 | H2E1 | sing | 1.09Å | 1.10Å | |
| CE1 | H3E1 | sing | 1.09Å | 1.10Å | |
| HAA | CA | sing | 1.09Å | 1.10Å | |
| H | N | sing | 1.01Å | 1.00Å | |
| HG | CG | sing | 1.09Å | 1.10Å | |
| H2D2 | CD2 | sing | 1.09Å | 1.10Å | |
| H1D1 | CD1 | sing | 1.09Å | 1.10Å | |
| H2D1 | CD1 | sing | 1.09Å | 1.10Å | |
| H1E1 | CE1 | 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) |
| O | C | OXT | 120.0° | 120.0° |
| O | C | CA | 120.0° | 120.0° |
| OXT | C | CA | 120.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.1° |
| C | CA | CB | 113.3° | 109.5° |
| C | CA | HA | 108.2° | 109.4° |
| C | CA | HAA | 107.3° | 109.5° |
| CB | CA | HA | 108.2° | 109.5° |
| CA | CB | HB | 108.2° | 109.4° |
| CA | CB | N | 107.8° | 109.5° |
| CA | CB | CG | 111.8° | 109.5° |
| CB | CA | HAA | 107.3° | 109.4° |
| HA | CA | HAA | 112.5° | 109.5° |
| HB | CB | N | 113.1° | 109.4° |
| HB | CB | CG | 109.2° | 109.5° |
| CB | N | H2 | 109.5° | 111.0° |
| N | CB | CG | 106.8° | 109.5° |
| CB | N | H | 109.5° | 111.0° |
| H2 | N | H | 109.4° | 111.1° |
| CB | CG | CD1 | 114.0° | 109.5° |
| CB | CG | CD2 | 112.8° | 109.5° |
| CB | CG | HG | 104.0° | 109.4° |
| CD1 | CG | CD2 | 110.2° | 109.5° |
| CG | CD1 | CE1 | 114.8° | 109.5° |
| CD1 | CG | HG | 107.0° | 109.5° |
| CG | CD1 | H1D1 | 107.7° | 109.4° |
| CG | CD1 | H2D1 | 106.5° | 109.5° |
| CG | CD2 | H1D2 | 109.5° | 109.4° |
| CG | CD2 | H3D2 | 109.5° | 109.5° |
| CD2 | CG | HG | 108.3° | 109.5° |
| CG | CD2 | H2D2 | 109.5° | 109.5° |
| H1D2 | CD2 | H3D2 | 109.5° | 109.5° |
| H1D2 | CD2 | H2D2 | 109.4° | 109.4° |
| H3D2 | CD2 | H2D2 | 109.5° | 109.5° |
| CD1 | CE1 | H2E1 | 109.5° | 109.5° |
| CD1 | CE1 | H3E1 | 109.5° | 109.5° |
| CE1 | CD1 | H1D1 | 107.7° | 109.5° |
| CE1 | CD1 | H2D1 | 106.5° | 109.5° |
| CD1 | CE1 | H1E1 | 109.5° | 109.5° |
| H2E1 | CE1 | H3E1 | 109.5° | 109.4° |
| H2E1 | CE1 | H1E1 | 109.5° | 109.5° |
| H3E1 | CE1 | H1E1 | 109.5° | 109.5° |
| H1D1 | CD1 | H2D1 | 113.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.9° | 179.7° |
| O | C | CA | CB | 62.6° | 0.0° |
| O | C | CA | HA | 177.4° | 119.9° |
| O | C | CA | HAA | 55.7° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | CB | 117.5° | 179.7° |
| OXT | C | CA | HA | 2.5° | 59.7° |
| OXT | C | CA | HAA | 124.2° | 60.3° |
| C | CA | CB | HA | 120.0° | 120.0° |
| C | CA | CB | HAA | 118.3° | 120.0° |
| C | CA | HA | HAA | 118.4° | 120.0° |
| C | CA | CB | HB | 43.4° | 54.9° |
| C | CA | CB | N | 79.2° | 65.0° |
| C | CA | CB | CG | 163.7° | 175.0° |
| CA | C | OXT | HXT | 180.0° | 179.8° |
| CB | CA | HA | HAA | 118.4° | 120.0° |
| CA | CB | HB | N | 119.3° | 120.0° |
| CA | CB | HB | CG | 121.9° | 120.0° |
| CA | CB | N | CG | 120.3° | 120.0° |
| CA | CB | N | H2 | 110.0° | 176.0° |
| CA | CB | CG | CD1 | 180.0° | 180.0° |
| CA | CB | CG | CD2 | 53.3° | 60.0° |
| CA | CB | N | H | 10.0° | 60.0° |
| CA | CB | CG | HG | 63.8° | 60.0° |
| HA | CA | CB | HB | 163.4° | 174.9° |
| HA | CA | CB | N | 40.8° | 55.0° |
| HA | CA | CB | CG | 76.4° | 65.1° |
| HB | CB | N | CG | 120.1° | 120.0° |
| HB | CB | N | H2 | 9.6° | 56.0° |
| HB | CB | CG | CD1 | 60.3° | 60.0° |
| HB | CB | CG | CD2 | 66.4° | 60.0° |
| HB | CB | CA | HAA | 74.9° | 65.0° |
| HB | CB | N | H | 129.5° | 179.9° |
| HB | CB | CG | HG | 176.5° | 180.0° |
| CB | N | H2 | H | 120.0° | 124.0° |
| N | CB | CG | CD1 | 62.3° | 60.0° |
| N | CB | CG | CD2 | 171.0° | 180.0° |
| N | CB | CA | HAA | 162.5° | 175.0° |
| N | CB | CG | HG | 53.9° | 60.0° |
| H2 | N | CB | CG | 129.7° | 64.0° |
| CB | CG | CD1 | CD2 | 128.1° | 120.0° |
| CB | CG | CD1 | HG | 114.4° | 119.9° |
| CB | CG | CD2 | HG | 114.5° | 120.0° |
| CB | CG | CD2 | H1D2 | 127.5° | 60.0° |
| CB | CG | CD2 | H3D2 | 7.5° | 60.0° |
| CB | CG | CD1 | CE1 | 42.2° | 175.0° |
| CG | CB | CA | HAA | 45.3° | 55.0° |
| CG | CB | N | H | 110.3° | 60.0° |
| CB | CG | CD2 | H2D2 | 112.5° | 179.9° |
| CB | CG | CD1 | H1D1 | 77.8° | 65.0° |
| CB | CG | CD1 | H2D1 | 159.8° | 55.0° |
| CD1 | CG | CD2 | HG | 116.7° | 120.0° |
| CD1 | CG | CD2 | H1D2 | 103.7° | 180.0° |
| CD1 | CG | CD2 | H3D2 | 136.3° | 60.0° |
| CG | CD1 | CE1 | H1D1 | 120.0° | 120.0° |
| CG | CD1 | CE1 | H2D1 | 117.6° | 120.0° |
| CG | CD1 | CE1 | H2E1 | 64.5° | 60.0° |
| CG | CD1 | CE1 | H3E1 | 55.5° | 60.0° |
| CD1 | CG | CD2 | H2D2 | 16.3° | 60.0° |
| CG | CD1 | H1D1 | H2D1 | 117.8° | 120.0° |
| CG | CD1 | CE1 | H1E1 | 175.5° | 180.0° |
| CG | CD2 | H1D2 | H3D2 | 120.0° | 120.0° |
| CG | CD2 | H1D2 | H2D2 | 120.0° | 120.0° |
| CG | CD2 | H3D2 | H2D2 | 120.0° | 120.0° |
| CD2 | CG | CD1 | CE1 | 85.9° | 65.0° |
| CD2 | CG | CD1 | H1D1 | 154.1° | 55.0° |
| CD2 | CG | CD1 | H2D1 | 31.7° | 175.0° |
| H1D2 | CD2 | H3D2 | H2D2 | 120.0° | 120.0° |
| H1D2 | CD2 | CG | HG | 13.0° | 60.0° |
| H3D2 | CD2 | CG | HG | 107.0° | 180.0° |
| CD1 | CE1 | H2E1 | H3E1 | 120.0° | 120.0° |
| CD1 | CE1 | H2E1 | H1E1 | 120.0° | 120.0° |
| CD1 | CE1 | H3E1 | H1E1 | 120.0° | 120.0° |
| CE1 | CD1 | CG | HG | 156.5° | 55.0° |
| CE1 | CD1 | H1D1 | H2D1 | 117.8° | 120.0° |
| H2E1 | CE1 | H3E1 | H1E1 | 120.0° | 120.0° |
| H2E1 | CE1 | CD1 | H1D1 | 175.5° | 60.0° |
| H2E1 | CE1 | CD1 | H2D1 | 53.1° | 180.0° |
| H3E1 | CE1 | CD1 | H1D1 | 64.5° | 180.0° |
| H3E1 | CE1 | CD1 | H2D1 | 173.1° | 60.0° |
| HG | CG | CD2 | H2D2 | 133.0° | 60.0° |
| HG | CG | CD1 | H1D1 | 36.5° | 175.1° |
| HG | CG | CD1 | H2D1 | 85.9° | 65.0° |
| H1D1 | CD1 | CE1 | H1E1 | 55.5° | 60.0° |
| H2D1 | CD1 | CE1 | H1E1 | 66.9° | 60.0° |
