AHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA | sing | 1.47Å | 1.43Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.51Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.48Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.34Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CZ | NH1 | sing | 1.37Å | 1.32Å | |
| CZ | NH2 | doub | 1.30Å | 1.33Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH1 | HH12 | sing | 0.97Å | 1.00Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| C | O1 | doub | 1.21Å | 1.25Å | |
| C | N2 | sing | 1.35Å | 1.17Å | |
| N2 | O2 | sing | 1.42Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N1 | HN11 | 109.5° | 106.7° |
| CA | N1 | HN12 | 109.5° | 106.7° |
| N1 | CA | CB | 108.0° | 109.4° |
| N1 | CA | C | 111.6° | 109.4° |
| N1 | CA | HA | 108.9° | 109.4° |
| HN11 | N1 | HN12 | 109.5° | 106.7° |
| CB | CA | C | 109.1° | 109.5° |
| CB | CA | HA | 111.5° | 109.5° |
| CA | CB | CG | 109.9° | 109.5° |
| CA | CB | HB1 | 109.2° | 109.5° |
| CA | CB | HB2 | 109.3° | 109.4° |
| C | CA | HA | 107.8° | 109.5° |
| CA | C | O1 | 119.5° | 120.0° |
| CA | C | N2 | 118.9° | 119.9° |
| CG | CB | HB1 | 109.2° | 109.4° |
| CG | CB | HB2 | 109.3° | 109.5° |
| CB | CG | CD | 113.5° | 109.5° |
| CB | CG | HG1 | 107.2° | 109.4° |
| CB | CG | HG2 | 108.2° | 109.5° |
| HB1 | CB | HB2 | 109.8° | 109.4° |
| CD | CG | HG1 | 107.2° | 109.5° |
| CD | CG | HG2 | 108.1° | 109.5° |
| CG | CD | NE | 112.9° | 109.4° |
| CG | CD | HD1 | 107.6° | 109.5° |
| CG | CD | HD2 | 108.4° | 109.5° |
| HG1 | CG | HG2 | 112.7° | 109.5° |
| NE | CD | HD1 | 107.6° | 109.5° |
| NE | CD | HD2 | 108.3° | 109.4° |
| CD | NE | CZ | 126.7° | 120.0° |
| CD | NE | HNE | 116.6° | 120.0° |
| HD1 | CD | HD2 | 112.1° | 109.5° |
| CZ | NE | HNE | 116.7° | 120.0° |
| NE | CZ | NH1 | 121.4° | 120.0° |
| NE | CZ | NH2 | 119.1° | 119.9° |
| NH1 | CZ | NH2 | 119.5° | 120.0° |
| CZ | NH1 | HH11 | 124.8° | 120.0° |
| CZ | NH1 | HH12 | 110.4° | 120.0° |
| CZ | NH2 | HNH2 | 110.4° | 120.0° |
| HH11 | NH1 | HH12 | 124.8° | 120.0° |
| O1 | C | N2 | 121.6° | 120.0° |
| C | N2 | O2 | 124.4° | 120.0° |
| C | N2 | HN2 | 117.8° | 120.0° |
| O2 | N2 | HN2 | 117.8° | 120.0° |
| N2 | O2 | HO2 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N1 | HN11 | HN12 | 120.0° | 113.8° |
| N1 | CA | CB | C | 121.4° | 120.0° |
| N1 | CA | CB | HA | 119.6° | 120.0° |
| N1 | CA | C | HA | 119.6° | 120.0° |
| N1 | CA | CB | CG | 164.1° | 65.0° |
| N1 | CA | CB | HB1 | 76.1° | 55.0° |
| N1 | CA | CB | HB2 | 44.1° | 175.0° |
| N1 | CA | C | O1 | 67.9° | 20.0° |
| N1 | CA | C | N2 | 112.5° | 160.0° |
| HN11 | N1 | CA | CB | 118.5° | 173.8° |
| HN11 | N1 | CA | C | 121.7° | 53.8° |
| HN11 | N1 | CA | HA | 2.7° | 66.2° |
| HN12 | N1 | CA | CB | 1.5° | 60.0° |
| HN12 | N1 | CA | C | 118.3° | 60.0° |
| HN12 | N1 | CA | HA | 122.7° | 180.0° |
| CB | CA | C | HA | 121.2° | 120.1° |
| CA | CB | CG | HB1 | 119.8° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 119.9° | 120.0° |
| CA | CB | CG | CD | 179.7° | 180.0° |
| CA | CB | CG | HG1 | 61.5° | 60.0° |
| CA | CB | CG | HG2 | 60.3° | 60.0° |
| CB | CA | C | O1 | 51.3° | 100.0° |
| CB | CA | C | N2 | 128.3° | 80.0° |
| C | CA | CB | CG | 74.5° | 175.1° |
| C | CA | CB | HB1 | 45.3° | 64.9° |
| C | CA | CB | HB2 | 165.5° | 55.0° |
| CA | C | O1 | N2 | 179.6° | 180.0° |
| CA | C | N2 | O2 | 179.5° | 180.0° |
| CA | C | N2 | HN2 | 0.6° | 0.0° |
| HA | CA | CB | CG | 44.5° | 55.0° |
| HA | CA | CB | HB1 | 164.3° | 175.0° |
| HA | CA | CB | HB2 | 75.6° | 65.1° |
| HA | CA | C | O1 | 172.5° | 139.9° |
| HA | CA | C | N2 | 7.1° | 40.1° |
| CG | CB | HB1 | HB2 | 119.9° | 120.0° |
| CB | CG | CD | HG1 | 118.2° | 119.9° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | HG1 | HG2 | 118.9° | 120.0° |
| CB | CG | CD | NE | 68.1° | 180.0° |
| CB | CG | CD | HD1 | 50.4° | 60.0° |
| CB | CG | CD | HD2 | 171.9° | 60.0° |
| HB1 | CB | CG | CD | 60.5° | 60.0° |
| HB1 | CB | CG | HG1 | 178.7° | 179.9° |
| HB1 | CB | CG | HG2 | 59.5° | 60.1° |
| HB2 | CB | CG | CD | 59.7° | 60.0° |
| HB2 | CB | CG | HG1 | 58.5° | 60.0° |
| HB2 | CB | CG | HG2 | 179.7° | 180.0° |
| CD | CG | HG1 | HG2 | 118.9° | 120.1° |
| CG | CD | NE | HD1 | 118.5° | 120.0° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | HD1 | HD2 | 119.1° | 120.1° |
| CG | CD | NE | CZ | 146.0° | 180.0° |
| CG | CD | NE | HNE | 34.1° | 0.1° |
| HG1 | CG | CD | NE | 173.7° | 60.1° |
| HG1 | CG | CD | HD1 | 67.8° | 180.0° |
| HG1 | CG | CD | HD2 | 53.7° | 59.9° |
| HG2 | CG | CD | NE | 51.9° | 60.0° |
| HG2 | CG | CD | HD1 | 170.4° | 60.0° |
| HG2 | CG | CD | HD2 | 68.1° | 180.0° |
| NE | CD | HD1 | HD2 | 119.0° | 120.0° |
| CD | NE | CZ | HNE | 180.0° | 179.9° |
| CD | NE | CZ | NH1 | 22.1° | 0.0° |
| CD | NE | CZ | NH2 | 157.6° | 180.0° |
| HD1 | CD | NE | CZ | 27.4° | 60.0° |
| HD1 | CD | NE | HNE | 152.6° | 120.1° |
| HD2 | CD | NE | CZ | 94.0° | 60.0° |
| HD2 | CD | NE | HNE | 85.9° | 119.9° |
| NE | CZ | NH1 | NH2 | 179.6° | 180.0° |
| NE | CZ | NH1 | HH11 | 179.8° | 180.0° |
| NE | CZ | NH1 | HH12 | 0.1° | 0.1° |
| NE | CZ | NH2 | HNH2 | 180.0° | 180.0° |
| HNE | NE | CZ | NH1 | 157.9° | 180.0° |
| HNE | NE | CZ | NH2 | 22.4° | 0.0° |
| CZ | NH1 | HH11 | HH12 | 180.0° | 179.9° |
| NH1 | CZ | NH2 | HNH2 | 0.4° | 0.0° |
| NH2 | CZ | NH1 | HH11 | 0.2° | 0.0° |
| NH2 | CZ | NH1 | HH12 | 179.8° | 179.9° |
| O1 | C | N2 | O2 | 0.1° | 0.0° |
| O1 | C | N2 | HN2 | 179.9° | 180.0° |
| C | N2 | O2 | HN2 | 180.0° | 180.0° |
| C | N2 | O2 | HO2 | 9.5° | 179.9° |
| HN2 | N2 | O2 | HO2 | 170.5° | 0.1° |
