QIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.46Å | 1.44Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | CG1 | sing | 1.53Å | 1.51Å | |
| CG1 | CB | sing | 1.53Å | 1.54Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| H | N | sing | 0.97Å | 1.00Å | |
| HB | CB | sing | 1.09Å | 1.10Å | |
| HD11 | CD1 | sing | 1.09Å | 1.10Å | |
| HG12 | CG1 | sing | 1.09Å | 1.10Å | |
| HD13 | CD1 | sing | 1.09Å | 1.10Å | |
| HG23 | CG2 | sing | 1.09Å | 1.10Å | |
| CN | N | sing | 1.35Å | 1.33Å | |
| CN | O1 | doub | 1.21Å | 1.20Å | |
| HN | CN | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 119.9° | 120.0° |
| OXT | C | CA | 119.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | C | 107.9° | 109.5° |
| N | CA | HA | 98.8° | 109.5° |
| N | CA | CB | 123.5° | 109.5° |
| CA | N | H | 117.5° | 120.0° |
| CA | N | CN | 124.9° | 120.0° |
| O | C | CA | 120.3° | 120.0° |
| C | CA | HA | 121.2° | 109.5° |
| C | CA | CB | 102.5° | 109.5° |
| HA | CA | CB | 104.6° | 109.5° |
| CA | CB | CG2 | 121.8° | 109.5° |
| CA | CB | CG1 | 100.8° | 109.4° |
| CA | CB | HB | 107.6° | 109.5° |
| CG2 | CB | CG1 | 109.8° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.4° | 109.5° |
| CG2 | CB | HB | 98.1° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| HD12 | CD1 | CG1 | 109.4° | 109.5° |
| HD12 | CD1 | HD11 | 109.4° | 109.4° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| CD1 | CG1 | CB | 108.0° | 109.5° |
| CD1 | CG1 | HG13 | 110.0° | 109.5° |
| CG1 | CD1 | HD11 | 109.5° | 109.4° |
| CD1 | CG1 | HG12 | 109.9° | 109.5° |
| CG1 | CD1 | HD13 | 109.5° | 109.5° |
| CB | CG1 | HG13 | 109.9° | 109.4° |
| CG1 | CB | HB | 120.1° | 109.5° |
| CB | CG1 | HG12 | 110.0° | 109.5° |
| HG13 | CG1 | HG12 | 109.0° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| H | N | CN | 117.5° | 120.0° |
| HD11 | CD1 | HD13 | 109.5° | 109.5° |
| N | CN | O1 | 125.4° | 120.0° |
| N | CN | HN | 117.3° | 120.0° |
| O1 | CN | HN | 117.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | N | 139.6° | 180.0° |
| OXT | C | O | CA | 180.0° | 179.8° |
| OXT | C | CA | HA | 27.1° | 60.0° |
| OXT | C | CA | CB | 88.7° | 60.0° |
| N | CA | C | O | 40.4° | 0.3° |
| N | CA | C | HA | 112.5° | 120.0° |
| N | CA | C | CB | 131.7° | 120.0° |
| N | CA | HA | CB | 128.1° | 120.0° |
| N | CA | CB | CG2 | 175.6° | 65.0° |
| N | CA | CB | CG1 | 62.8° | 175.0° |
| CA | N | H | CN | 180.0° | 180.0° |
| N | CA | CB | HB | 63.8° | 55.0° |
| CA | N | CN | O1 | 7.1° | 0.0° |
| CA | N | CN | HN | 172.8° | 180.0° |
| O | C | CA | HA | 152.9° | 120.2° |
| O | C | CA | CB | 91.3° | 119.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | HA | CB | 114.7° | 120.0° |
| C | CA | CB | CG2 | 54.1° | 55.0° |
| C | CA | CB | CG1 | 175.7° | 65.0° |
| C | CA | N | H | 47.9° | 95.0° |
| C | CA | CB | HB | 57.8° | 175.0° |
| C | CA | N | CN | 132.1° | 85.0° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| HA | CA | CB | CG2 | 73.2° | 175.0° |
| HA | CA | CB | CG1 | 48.4° | 55.0° |
| HA | CA | N | H | 174.8° | 145.0° |
| HA | CA | CB | HB | 175.0° | 65.0° |
| HA | CA | N | CN | 5.2° | 35.0° |
| CA | CB | CG2 | CG1 | 117.2° | 120.0° |
| CA | CB | CG2 | HB | 116.7° | 120.0° |
| CA | CB | CG1 | CD1 | 163.5° | 175.0° |
| CA | CB | CG1 | HB | 117.8° | 120.0° |
| CA | CB | CG1 | HG13 | 43.5° | 55.0° |
| CA | CB | CG2 | HG21 | 180.0° | 180.0° |
| CA | CB | CG2 | HG22 | 60.0° | 60.0° |
| CB | CA | N | H | 71.1° | 25.0° |
| CA | CB | CG1 | HG12 | 76.5° | 65.0° |
| CA | CB | CG2 | HG23 | 60.0° | 60.0° |
| CB | CA | N | CN | 108.9° | 155.0° |
| CG2 | CB | CG1 | CD1 | 66.8° | 65.0° |
| CG2 | CB | CG1 | HB | 112.5° | 120.0° |
| CG2 | CB | CG1 | HG13 | 173.2° | 175.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CG2 | CB | CG1 | HG12 | 53.2° | 55.0° |
| HD12 | CD1 | CG1 | HD11 | 120.0° | 119.9° |
| HD12 | CD1 | CG1 | HD13 | 120.0° | 120.1° |
| HD12 | CD1 | CG1 | CB | 60.0° | 60.0° |
| HD12 | CD1 | CG1 | HG13 | 60.0° | 179.9° |
| HD12 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| HD12 | CD1 | CG1 | HG12 | 180.0° | 60.0° |
| CD1 | CG1 | CB | HG13 | 120.0° | 120.0° |
| CD1 | CG1 | CB | HG12 | 120.0° | 120.0° |
| CD1 | CG1 | HG13 | HG12 | 120.6° | 120.0° |
| CD1 | CG1 | CB | HB | 45.7° | 55.0° |
| CG1 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CB | CG1 | HG13 | HG12 | 120.6° | 120.0° |
| CG1 | CB | CG2 | HG21 | 62.8° | 60.0° |
| CG1 | CB | CG2 | HG22 | 177.2° | 180.0° |
| CB | CG1 | CD1 | HD11 | 180.0° | 59.9° |
| CB | CG1 | CD1 | HD13 | 60.0° | 180.0° |
| CG1 | CB | CG2 | HG23 | 57.3° | 60.0° |
| HG13 | CG1 | CB | HB | 74.3° | 65.0° |
| HG13 | CG1 | CD1 | HD11 | 60.0° | 60.0° |
| HG13 | CG1 | CD1 | HD13 | 180.0° | 60.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HG21 | CG2 | CB | HB | 63.3° | 60.0° |
| HG22 | CG2 | CB | HB | 56.7° | 60.0° |
| H | N | CN | O1 | 172.8° | 180.0° |
| H | N | CN | HN | 7.2° | 0.0° |
| HB | CB | CG1 | HG12 | 165.7° | 175.0° |
| HB | CB | CG2 | HG23 | 176.6° | 180.0° |
| HD11 | CD1 | CG1 | HG12 | 60.0° | 179.9° |
| HG12 | CG1 | CD1 | HD13 | 60.0° | 60.0° |
| N | CN | O1 | HN | 180.0° | 180.0° |
