LEF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | CG | sing | 1.53Å | 1.52Å | |
| CD1 | F1 | sing | 1.40Å | 1.28Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | CG | sing | 1.53Å | 1.52Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.03Å | |
| N | H2 | sing | 1.01Å | 1.03Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CD1 | F1 | 113.1° | 109.5° |
| CG | CD1 | HD12 | 108.5° | 109.5° |
| CG | CD1 | HD13 | 107.3° | 109.4° |
| CD1 | CG | CD2 | 110.5° | 109.5° |
| CD1 | CG | CB | 111.9° | 109.6° |
| CD1 | CG | HG | 107.7° | 109.4° |
| F1 | CD1 | HD12 | 108.5° | 109.5° |
| F1 | CD1 | HD13 | 107.3° | 109.5° |
| HD12 | CD1 | HD13 | 112.0° | 109.4° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.5° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| CD2 | CG | CB | 111.3° | 109.5° |
| CD2 | CG | HG | 108.3° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HD21 | CD2 | HD23 | 109.5° | 109.4° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
| CB | CG | HG | 106.9° | 109.5° |
| CG | CB | CA | 111.6° | 109.5° |
| CG | CB | HB3 | 109.0° | 109.4° |
| CG | CB | HB2 | 108.3° | 109.4° |
| CA | CB | HB3 | 108.9° | 109.5° |
| CA | CB | HB2 | 108.2° | 109.5° |
| CB | CA | N | 108.8° | 109.5° |
| CB | CA | C | 111.4° | 109.5° |
| CB | CA | HA | 109.9° | 109.5° |
| HB3 | CB | HB2 | 110.9° | 109.4° |
| CA | N | H | 109.5° | 106.7° |
| CA | N | H2 | 109.4° | 106.7° |
| N | CA | C | 112.9° | 109.4° |
| N | CA | HA | 108.3° | 109.4° |
| H | N | H2 | 109.4° | 106.7° |
| C | CA | HA | 105.5° | 109.5° |
| CA | C | O | 121.7° | 120.0° |
| CA | C | OXT | 115.3° | 120.0° |
| O | C | OXT | 123.0° | 120.0° |
| C | OXT | HXT | 115.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CD1 | F1 | HD12 | 120.5° | 120.1° |
| CG | CD1 | F1 | HD13 | 118.2° | 120.0° |
| CG | CD1 | HD12 | HD13 | 118.3° | 119.9° |
| CD1 | CG | CD2 | CB | 125.0° | 120.1° |
| CD1 | CG | CD2 | HG | 117.8° | 119.9° |
| CD1 | CG | CD2 | HD21 | 88.1° | 60.0° |
| CD1 | CG | CD2 | HD22 | 151.9° | 179.9° |
| CD1 | CG | CD2 | HD23 | 31.9° | 59.9° |
| CD1 | CG | CB | HG | 117.7° | 120.0° |
| CD1 | CG | CB | CA | 166.8° | 180.0° |
| CD1 | CG | CB | HB3 | 72.9° | 60.0° |
| CD1 | CG | CB | HB2 | 47.8° | 59.9° |
| F1 | CD1 | HD12 | HD13 | 118.3° | 120.0° |
| F1 | CD1 | CG | CD2 | 173.5° | 59.9° |
| F1 | CD1 | CG | CB | 48.8° | 180.0° |
| F1 | CD1 | CG | HG | 68.3° | 60.0° |
| HD12 | CD1 | CG | CD2 | 53.0° | 180.0° |
| HD12 | CD1 | CG | CB | 71.7° | 59.9° |
| HD12 | CD1 | CG | HG | 171.1° | 60.1° |
| HD13 | CD1 | CG | CD2 | 68.3° | 60.0° |
| HD13 | CD1 | CG | CB | 167.0° | 60.0° |
| HD13 | CD1 | CG | HG | 49.9° | 180.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| CD2 | CG | CB | HG | 118.1° | 120.0° |
| CD2 | CG | CB | CA | 42.6° | 60.0° |
| CD2 | CG | CB | HB3 | 162.9° | 60.0° |
| CD2 | CG | CB | HB2 | 76.4° | 179.9° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HD21 | CD2 | CG | CB | 36.9° | 60.1° |
| HD21 | CD2 | CG | HG | 154.1° | 179.9° |
| HD22 | CD2 | CG | CB | 83.1° | 60.0° |
| HD22 | CD2 | CG | HG | 34.1° | 60.0° |
| HD23 | CD2 | CG | CB | 156.9° | 180.0° |
| HD23 | CD2 | CG | HG | 85.9° | 60.0° |
| CG | CB | CA | HB3 | 120.3° | 120.0° |
| CG | CB | CA | HB2 | 119.0° | 120.0° |
| CG | CB | HB3 | HB2 | 119.0° | 119.9° |
| CG | CB | CA | N | 51.9° | 60.0° |
| CG | CB | CA | C | 176.9° | 180.0° |
| CG | CB | CA | HA | 66.5° | 59.9° |
| HG | CG | CB | CA | 75.5° | 60.0° |
| HG | CG | CB | HB3 | 44.8° | 180.0° |
| HG | CG | CB | HB2 | 165.5° | 60.1° |
| CA | CB | HB3 | HB2 | 119.0° | 120.1° |
| CB | CA | N | C | 124.2° | 120.0° |
| CB | CA | N | HA | 119.4° | 120.0° |
| CB | CA | N | H | 95.1° | 60.0° |
| CB | CA | N | H2 | 144.9° | 53.8° |
| CB | CA | C | HA | 119.2° | 120.1° |
| CB | CA | C | O | 74.5° | 89.9° |
| CB | CA | C | OXT | 104.9° | 90.0° |
| HB3 | CB | CA | N | 68.5° | 180.0° |
| HB3 | CB | CA | C | 56.6° | 60.1° |
| HB3 | CB | CA | HA | 173.1° | 60.0° |
| HB2 | CB | CA | N | 170.9° | 60.0° |
| HB2 | CB | CA | C | 64.1° | 59.9° |
| HB2 | CB | CA | HA | 52.5° | 180.0° |
| CA | N | H | H2 | 120.0° | 113.8° |
| N | CA | C | HA | 118.1° | 119.9° |
| N | CA | C | O | 48.2° | 30.1° |
| N | CA | C | OXT | 132.3° | 150.0° |
| H | N | CA | C | 140.7° | 60.0° |
| H | N | CA | HA | 24.3° | 180.0° |
| H2 | N | CA | C | 20.8° | 173.8° |
| H2 | N | CA | HA | 95.7° | 66.2° |
| CA | C | O | OXT | 179.4° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | C | O | 166.3° | 150.0° |
| HA | CA | C | OXT | 14.2° | 30.1° |
| O | C | OXT | HXT | 0.5° | 0.1° |
