DFI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| 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 | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | sing | 1.53Å | 1.54Å | |
| CG | CD2 | sing | 1.53Å | 1.54Å | |
| CG | HG | sing | 1.09Å | 1.12Å | |
| CD1 | HD11 | sing | 1.09Å | 1.12Å | |
| CD1 | HD12 | sing | 1.09Å | 1.11Å | |
| 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 | OH | sing | 1.43Å | 1.46Å | |
| CH | CM | sing | 1.53Å | 1.55Å | |
| CH | HC | sing | 1.09Å | 1.11Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| CM | F1 | sing | 1.40Å | 1.33Å | |
| CM | F2 | sing | 1.40Å | 1.35Å | |
| CM | C | sing | 1.51Å | 1.56Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| 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) |
| CA | N | H | 108.4° | 106.7° |
| CA | N | H2 | 112.6° | 106.7° |
| N | CA | CB | 108.4° | 109.4° |
| N | CA | CH | 112.8° | 109.5° |
| N | CA | HA | 107.9° | 109.5° |
| H | N | H2 | 112.6° | 106.8° |
| CB | CA | CH | 109.6° | 109.5° |
| CB | CA | HA | 111.3° | 109.5° |
| CA | CB | CG | 116.1° | 109.5° |
| CA | CB | HB2 | 109.8° | 109.4° |
| CA | CB | HB3 | 109.8° | 109.5° |
| CH | CA | HA | 106.8° | 109.5° |
| CA | CH | OH | 110.0° | 109.5° |
| CA | CH | CM | 117.9° | 109.5° |
| CA | CH | HC | 101.7° | 109.5° |
| CG | CB | HB2 | 109.7° | 109.4° |
| CG | CB | HB3 | 109.8° | 109.4° |
| CB | CG | CD1 | 109.7° | 109.5° |
| CB | CG | CD2 | 112.5° | 109.5° |
| CB | CG | HG | 107.2° | 109.4° |
| HB2 | CB | HB3 | 100.4° | 109.5° |
| CD1 | CG | CD2 | 109.2° | 109.5° |
| CD1 | CG | HG | 110.6° | 109.5° |
| CG | CD1 | HD11 | 109.7° | 109.4° |
| CG | CD1 | HD12 | 112.1° | 109.5° |
| CG | CD1 | HD13 | 112.2° | 109.5° |
| CD2 | CG | HG | 107.7° | 109.5° |
| CG | CD2 | HD21 | 112.4° | 109.5° |
| CG | CD2 | HD22 | 111.1° | 109.5° |
| CG | CD2 | HD23 | 111.1° | 109.5° |
| HD11 | CD1 | HD12 | 112.0° | 109.4° |
| HD11 | CD1 | HD13 | 112.1° | 109.5° |
| HD12 | CD1 | HD13 | 98.3° | 109.5° |
| HD21 | CD2 | HD22 | 111.1° | 109.4° |
| HD21 | CD2 | HD23 | 111.1° | 109.4° |
| HD22 | CD2 | HD23 | 99.3° | 109.6° |
| OH | CH | CM | 104.8° | 109.4° |
| OH | CH | HC | 115.6° | 109.4° |
| CH | OH | HH | 110.1° | 106.8° |
| CM | CH | HC | 107.3° | 109.5° |
| CH | CM | F1 | 111.0° | 109.4° |
| CH | CM | F2 | 114.5° | 109.4° |
| CH | CM | C | 111.7° | 109.5° |
| F1 | CM | F2 | 102.9° | 109.5° |
| F1 | CM | C | 107.4° | 109.5° |
| F2 | CM | C | 108.8° | 109.5° |
| CM | C | O | 122.0° | 120.0° |
| CM | C | OXT | 113.6° | 120.1° |
| O | C | OXT | 124.4° | 119.9° |
| C | OXT | HXT | 113.6° | 120.0° |
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 | 123.5° | 120.0° |
| N | CA | CB | HA | 118.6° | 120.0° |
| N | CA | CH | HA | 118.4° | 120.0° |
| N | CA | CB | CG | 52.5° | 60.1° |
| N | CA | CB | HB2 | 72.7° | 180.0° |
| N | CA | CB | HB3 | 177.8° | 59.9° |
| N | CA | CH | OH | 46.9° | 60.0° |
| N | CA | CH | CM | 73.1° | 60.0° |
| N | CA | CH | HC | 169.9° | 179.9° |
| H | N | CA | CB | 180.0° | 53.8° |
| H | N | CA | CH | 58.4° | 173.8° |
| H | N | CA | HA | 59.3° | 66.2° |
| H2 | N | CA | CB | 54.7° | 60.0° |
| H2 | N | CA | CH | 176.3° | 60.0° |
| H2 | N | CA | HA | 66.0° | 180.0° |
| CB | CA | CH | HA | 120.7° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.6° | 120.0° |
| CA | CB | CG | CD1 | 174.1° | 180.0° |
| CA | CB | CG | CD2 | 64.2° | 59.9° |
| CA | CB | CG | HG | 54.0° | 60.0° |
| CB | CA | CH | OH | 73.9° | 60.0° |
| CB | CA | CH | CM | 166.0° | 179.9° |
| CB | CA | CH | HC | 49.0° | 60.0° |
| CH | CA | CB | CG | 176.1° | 180.0° |
| CH | CA | CB | HB2 | 50.8° | 60.0° |
| CH | CA | CB | HB3 | 58.7° | 60.0° |
| CA | CH | OH | CM | 127.7° | 120.0° |
| CA | CH | OH | HC | 114.5° | 120.0° |
| CA | CH | CM | HC | 113.9° | 120.1° |
| CA | CH | OH | HH | 180.0° | 60.0° |
| CA | CH | CM | F1 | 46.9° | 60.0° |
| CA | CH | CM | F2 | 162.8° | 60.0° |
| CA | CH | CM | C | 73.0° | 180.0° |
| HA | CA | CB | CG | 66.1° | 59.9° |
| HA | CA | CB | HB2 | 168.7° | 60.0° |
| HA | CA | CB | HB3 | 59.2° | 179.9° |
| HA | CA | CH | OH | 165.4° | 180.0° |
| HA | CA | CH | CM | 45.3° | 60.0° |
| HA | CA | CH | HC | 71.6° | 60.1° |
| CG | CB | HB2 | HB3 | 115.5° | 120.0° |
| CB | CG | CD1 | CD2 | 123.6° | 120.0° |
| CB | CG | CD1 | HG | 118.0° | 120.0° |
| CB | CG | CD2 | HG | 117.9° | 120.0° |
| CB | CG | CD1 | HD11 | 179.9° | 180.0° |
| CB | CG | CD1 | HD12 | 54.8° | 60.0° |
| CB | CG | CD1 | HD13 | 54.8° | 60.0° |
| CB | CG | CD2 | HD21 | 180.0° | 60.0° |
| CB | CG | CD2 | HD22 | 54.8° | 59.9° |
| CB | CG | CD2 | HD23 | 54.8° | 180.0° |
| HB2 | CB | CG | CD1 | 48.8° | 60.0° |
| HB2 | CB | CG | CD2 | 170.5° | 60.0° |
| HB2 | CB | CG | HG | 71.2° | 180.0° |
| HB3 | CB | CG | CD1 | 60.6° | 60.0° |
| HB3 | CB | CG | CD2 | 61.1° | 180.0° |
| HB3 | CB | CG | HG | 179.3° | 60.0° |
| CD1 | CG | CD2 | HG | 120.1° | 120.0° |
| CG | CD1 | HD11 | HD12 | 125.2° | 120.0° |
| CG | CD1 | HD11 | HD13 | 125.3° | 120.0° |
| CG | CD1 | HD12 | HD13 | 118.1° | 120.0° |
| CD1 | CG | CD2 | HD21 | 58.0° | 60.0° |
| CD1 | CG | CD2 | HD22 | 67.2° | 179.9° |
| CD1 | CG | CD2 | HD23 | 176.8° | 60.0° |
| CD2 | CG | CD1 | HD11 | 56.4° | 60.0° |
| CD2 | CG | CD1 | HD12 | 178.4° | 179.9° |
| CD2 | CG | CD1 | HD13 | 68.9° | 60.0° |
| CG | CD2 | HD21 | HD22 | 125.2° | 120.0° |
| CG | CD2 | HD21 | HD23 | 125.2° | 120.0° |
| CG | CD2 | HD22 | HD23 | 117.0° | 120.1° |
| HG | CG | CD1 | HD11 | 61.9° | 60.0° |
| HG | CG | CD1 | HD12 | 63.2° | 60.0° |
| HG | CG | CD1 | HD13 | 172.8° | NaN° |
| HG | CG | CD2 | HD21 | 62.1° | 180.0° |
| HG | CG | CD2 | HD22 | 172.7° | 60.1° |
| HG | CG | CD2 | HD23 | 63.1° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 118.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 117.0° | 120.0° |
| OH | CH | CM | HC | 123.3° | 119.9° |
| OH | CH | CM | F1 | 75.9° | 60.0° |
| OH | CH | CM | F2 | 40.1° | 180.0° |
| OH | CH | CM | C | 164.3° | 60.0° |
| CM | CH | OH | HH | 52.3° | 60.0° |
| CH | CM | F1 | F2 | 122.9° | 119.9° |
| CH | CM | F1 | C | 122.4° | 120.1° |
| CH | CM | F2 | C | 125.7° | 120.0° |
| CH | CM | C | O | 80.6° | 90.0° |
| CH | CM | C | OXT | 99.1° | 89.9° |
| HC | CH | OH | HH | 65.5° | 180.0° |
| HC | CH | CM | F1 | 160.8° | 180.0° |
| HC | CH | CM | F2 | 83.2° | 60.1° |
| HC | CH | CM | C | 41.0° | 59.9° |
| F1 | CM | F2 | C | 113.7° | 120.0° |
| F1 | CM | C | O | 41.3° | 30.0° |
| F1 | CM | C | OXT | 139.0° | 150.1° |
| F2 | CM | C | O | 152.1° | 150.0° |
| F2 | CM | C | OXT | 28.3° | 30.0° |
| CM | C | O | OXT | 179.6° | 180.0° |
| CM | C | OXT | HXT | 180.0° | 180.0° |
| O | C | OXT | HXT | 0.3° | 0.0° |
