DFO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | CH | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | sing | 1.53Å | 1.52Å | |
| CG | CD2 | sing | 1.53Å | 1.56Å | |
| CG | HG | sing | 1.09Å | 1.12Å | |
| CD1 | HD11 | sing | 1.09Å | 1.12Å | |
| CD1 | HD12 | sing | 1.09Å | 1.12Å | |
| CD1 | HD13 | sing | 1.09Å | 1.11Å | |
| CD2 | HD21 | sing | 1.09Å | 1.12Å | |
| CD2 | HD22 | sing | 1.09Å | 1.11Å | |
| CD2 | HD23 | sing | 1.09Å | 1.11Å | |
| CH | OH1 | sing | 1.43Å | 1.47Å | |
| CH | OH2 | sing | 1.43Å | 1.40Å | |
| CH | CM | sing | 1.53Å | 1.56Å | |
| OH1 | HH1 | sing | 0.97Å | 0.95Å | |
| OH2 | HH2 | sing | 0.97Å | 0.95Å | |
| CM | F1 | sing | 1.40Å | 1.30Å | |
| CM | F2 | sing | 1.40Å | 1.33Å | |
| CM | C | sing | 1.51Å | 1.58Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 105.7° | 106.6° |
| CA | N | H2 | 113.7° | 106.7° |
| N | CA | CB | 105.7° | 109.5° |
| N | CA | CH | 110.2° | 109.5° |
| N | CA | HA | 111.9° | 109.5° |
| H | N | H2 | 113.6° | 106.7° |
| CB | CA | CH | 110.7° | 109.5° |
| CB | CA | HA | 111.3° | 109.5° |
| CA | CB | CG | 117.4° | 109.5° |
| CA | CB | HB2 | 109.4° | 109.5° |
| CA | CB | HB3 | 109.3° | 109.5° |
| CH | CA | HA | 107.1° | 109.5° |
| CA | CH | OH1 | 109.0° | 109.5° |
| CA | CH | OH2 | 106.5° | 109.4° |
| CA | CH | CM | 117.2° | 109.5° |
| CG | CB | HB2 | 109.3° | 109.4° |
| CG | CB | HB3 | 109.3° | 109.5° |
| CB | CG | CD1 | 111.1° | 109.5° |
| CB | CG | CD2 | 112.1° | 109.5° |
| CB | CG | HG | 105.5° | 109.4° |
| HB2 | CB | HB3 | 100.8° | 109.5° |
| CD1 | CG | CD2 | 106.1° | 109.5° |
| CD1 | CG | HG | 111.6° | 109.4° |
| CG | CD1 | HD11 | 111.1° | 109.5° |
| CG | CD1 | HD12 | 111.6° | 109.5° |
| CG | CD1 | HD13 | 111.7° | 109.4° |
| CD2 | CG | HG | 110.6° | 109.5° |
| CG | CD2 | HD21 | 112.1° | 109.5° |
| CG | CD2 | HD22 | 111.2° | 109.5° |
| CG | CD2 | HD23 | 111.2° | 109.4° |
| HD11 | CD1 | HD12 | 111.6° | 109.5° |
| HD11 | CD1 | HD13 | 111.6° | 109.4° |
| HD12 | CD1 | HD13 | 98.8° | 109.5° |
| HD21 | CD2 | HD22 | 111.2° | 109.5° |
| HD21 | CD2 | HD23 | 111.2° | 109.5° |
| HD22 | CD2 | HD23 | 99.1° | 109.5° |
| OH1 | CH | OH2 | 111.8° | 109.5° |
| OH1 | CH | CM | 107.7° | 109.5° |
| CH | OH1 | HH1 | 109.0° | 106.8° |
| OH2 | CH | CM | 104.7° | 109.5° |
| CH | OH2 | HH2 | 106.4° | 106.8° |
| CH | CM | F1 | 108.9° | 109.5° |
| CH | CM | F2 | 111.5° | 109.5° |
| CH | CM | C | 109.5° | 109.5° |
| F1 | CM | F2 | 108.1° | 109.5° |
| F1 | CM | C | 109.7° | 109.5° |
| F2 | CM | C | 109.1° | 109.4° |
| CM | C | O | 121.1° | 120.0° |
| CM | C | OXT | 113.4° | 120.1° |
| O | C | OXT | 125.5° | 120.0° |
| C | OXT | HXT | 113.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | CB | CH | 119.3° | 120.0° |
| N | CA | CB | HA | 121.7° | 120.0° |
| N | CA | CH | HA | 121.9° | 120.0° |
| N | CA | CB | CG | 52.8° | 60.0° |
| N | CA | CB | HB2 | 72.4° | 180.0° |
| N | CA | CB | HB3 | 178.1° | 60.0° |
| N | CA | CH | OH1 | 51.7° | 180.0° |
| N | CA | CH | OH2 | 172.4° | 60.0° |
| N | CA | CH | CM | 70.8° | 60.0° |
| H | N | CA | CB | 180.0° | 53.8° |
| H | N | CA | CH | 60.3° | 173.8° |
| H | N | CA | HA | 58.7° | 66.2° |
| H2 | N | CA | CB | 54.7° | 60.0° |
| H2 | N | CA | CH | 174.4° | 60.1° |
| H2 | N | CA | HA | 66.6° | 180.0° |
| CB | CA | CH | HA | 121.5° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 115.1° | 120.0° |
| CA | CB | CG | CD1 | 176.0° | 180.0° |
| CA | CB | CG | CD2 | 65.6° | 60.0° |
| CA | CB | CG | HG | 54.9° | 60.0° |
| CB | CA | CH | OH1 | 64.9° | 60.0° |
| CB | CA | CH | OH2 | 55.8° | 60.0° |
| CB | CA | CH | CM | 172.6° | 180.0° |
| CH | CA | CB | CG | 172.2° | 179.9° |
| CH | CA | CB | HB2 | 46.9° | 60.0° |
| CH | CA | CB | HB3 | 62.6° | 60.0° |
| CA | CH | OH1 | OH2 | 117.4° | 120.0° |
| CA | CH | OH1 | CM | 128.1° | 120.0° |
| CA | CH | OH2 | CM | 124.8° | 120.0° |
| CA | CH | OH1 | HH1 | 180.0° | 60.1° |
| CA | CH | OH2 | HH2 | 180.0° | 60.0° |
| CA | CH | CM | F1 | 44.1° | 60.0° |
| CA | CH | CM | F2 | 163.3° | 60.0° |
| CA | CH | CM | C | 75.8° | 180.0° |
| HA | CA | CB | CG | 68.9° | 59.9° |
| HA | CA | CB | HB2 | 165.9° | 60.0° |
| HA | CA | CB | HB3 | 56.4° | 180.0° |
| HA | CA | CH | OH1 | 173.6° | 60.1° |
| HA | CA | CH | OH2 | 65.7° | 180.0° |
| HA | CA | CH | CM | 51.1° | 60.0° |
| CG | CB | HB2 | HB3 | 115.1° | 120.0° |
| CB | CG | CD1 | CD2 | 122.1° | 120.0° |
| CB | CG | CD1 | HG | 117.4° | 119.9° |
| CB | CG | CD2 | HG | 117.4° | 119.9° |
| CB | CG | CD1 | HD11 | 180.0° | 180.0° |
| CB | CG | CD1 | HD12 | 54.8° | 59.9° |
| CB | CG | CD1 | HD13 | 54.7° | 60.1° |
| CB | CG | CD2 | HD21 | 180.0° | 60.1° |
| CB | CG | CD2 | HD22 | 54.8° | 60.0° |
| CB | CG | CD2 | HD23 | 54.7° | 179.9° |
| HB2 | CB | CG | CD1 | 50.7° | 60.1° |
| HB2 | CB | CG | CD2 | 169.2° | 60.0° |
| HB2 | CB | CG | HG | 70.4° | 180.0° |
| HB3 | CB | CG | CD1 | 58.8° | 59.9° |
| HB3 | CB | CG | CD2 | 59.7° | 180.0° |
| HB3 | CB | CG | HG | 179.9° | 60.0° |
| CD1 | CG | CD2 | HG | 121.1° | 120.0° |
| CG | CD1 | HD11 | HD12 | 125.2° | 120.1° |
| CG | CD1 | HD11 | HD13 | 125.3° | 119.9° |
| CG | CD1 | HD12 | HD13 | 117.6° | 120.0° |
| CD1 | CG | CD2 | HD21 | 58.6° | 60.0° |
| CD1 | CG | CD2 | HD22 | 66.7° | 180.0° |
| CD1 | CG | CD2 | HD23 | 176.2° | 60.0° |
| CD2 | CG | CD1 | HD11 | 57.9° | 60.0° |
| CD2 | CG | CD1 | HD12 | 176.9° | 180.0° |
| CD2 | CG | CD1 | HD13 | 67.4° | 59.9° |
| CG | CD2 | HD21 | HD22 | 125.2° | 120.0° |
| CG | CD2 | HD21 | HD23 | 125.3° | 120.0° |
| CG | CD2 | HD22 | HD23 | 117.1° | 119.9° |
| HG | CG | CD1 | HD11 | 62.6° | 60.0° |
| HG | CG | CD1 | HD12 | 62.7° | 60.0° |
| HG | CG | CD1 | HD13 | 172.2° | 180.0° |
| HG | CG | CD2 | HD21 | 62.6° | 180.0° |
| HG | CG | CD2 | HD22 | 172.2° | 59.9° |
| HG | CG | CD2 | HD23 | 62.7° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 117.5° | 119.9° |
| HD21 | CD2 | HD22 | HD23 | 117.1° | 120.0° |
| OH1 | CH | OH2 | CM | 116.3° | 120.0° |
| OH1 | CH | OH2 | HH2 | 61.1° | 180.0° |
| OH1 | CH | CM | F1 | 79.1° | 180.0° |
| OH1 | CH | CM | F2 | 40.1° | 60.0° |
| OH1 | CH | CM | C | 161.0° | 60.0° |
| OH2 | CH | OH1 | HH1 | 62.6° | 180.0° |
| OH2 | CH | CM | F1 | 161.8° | 60.0° |
| OH2 | CH | CM | F2 | 79.0° | 180.0° |
| OH2 | CH | CM | C | 41.9° | 60.1° |
| CM | CH | OH1 | HH1 | 51.9° | 60.0° |
| CM | CH | OH2 | HH2 | 55.2° | 60.0° |
| CH | CM | F1 | F2 | 121.3° | 120.0° |
| CH | CM | F1 | C | 119.8° | 120.0° |
| CH | CM | F2 | C | 121.1° | 120.0° |
| CH | CM | C | O | 82.4° | 90.0° |
| CH | CM | C | OXT | 97.1° | 89.9° |
| F1 | CM | F2 | C | 119.3° | 119.9° |
| F1 | CM | C | O | 37.0° | 30.1° |
| F1 | CM | C | OXT | 143.5° | 150.0° |
| F2 | CM | C | O | 155.3° | 150.0° |
| F2 | CM | C | OXT | 25.2° | 30.1° |
| CM | C | O | OXT | 179.4° | 179.9° |
| CM | C | OXT | HXT | 180.0° | 180.0° |
| O | C | OXT | HXT | 0.5° | 0.1° |
