LHC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | H | sing | 1.01Å | 1.00Å | |
| N | CA | sing | 1.47Å | 1.42Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| HBA | CB | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| HG | CG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CG | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| N1 | C6 | sing | 1.36Å | 1.35Å | |
| H6 | C6 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.35Å | 1.32Å | |
| C5 | C4 | sing | 1.41Å | 1.42Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | |
| C4 | N4 | sing | 1.38Å | 1.32Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C2 | N3 | sing | 1.33Å | 1.37Å | |
| O2 | C2 | doub | 1.22Å | 1.21Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H | N | CA | 109.5° | 110.9° |
| H | N | H2 | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | C | 111.6° | 109.5° |
| N | CA | HA | 106.3° | 109.4° |
| N | CA | CB | 111.4° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| C | CA | CB | 108.4° | 109.4° |
| CA | C | O | 120.9° | 120.0° |
| CA | C | OXT | 115.8° | 120.0° |
| HA | CA | CB | 109.7° | 109.5° |
| CA | CB | HBA | 108.6° | 109.5° |
| CA | CB | HB | 108.0° | 109.5° |
| CA | CB | CG | 112.2° | 109.4° |
| HBA | CB | HB | 111.6° | 109.5° |
| HBA | CB | CG | 108.6° | 109.5° |
| HB | CB | CG | 107.9° | 109.4° |
| CB | CG | HG | 107.9° | 109.4° |
| CB | CG | HGA | 106.7° | 109.5° |
| CB | CG | N1 | 114.4° | 109.5° |
| HG | CG | HGA | 113.4° | 109.5° |
| HG | CG | N1 | 107.8° | 109.5° |
| HGA | CG | N1 | 106.7° | 109.5° |
| CG | N1 | C2 | 118.2° | 119.8° |
| CG | N1 | C6 | 121.7° | 119.8° |
| C2 | N1 | C6 | 120.2° | 120.4° |
| N1 | C2 | N3 | 118.4° | 121.1° |
| N1 | C2 | O2 | 118.4° | 119.5° |
| N1 | C6 | H6 | 118.8° | 120.3° |
| N1 | C6 | C5 | 122.4° | 119.3° |
| H6 | C6 | C5 | 118.8° | 120.4° |
| C6 | C5 | C4 | 117.3° | 118.9° |
| C6 | C5 | H5 | 121.4° | 120.6° |
| C4 | C5 | H5 | 121.3° | 120.5° |
| C5 | C4 | N3 | 121.9° | 119.7° |
| C5 | C4 | N4 | 119.2° | 120.1° |
| N3 | C4 | N4 | 118.8° | 120.2° |
| C4 | N3 | C2 | 119.8° | 120.7° |
| C4 | N4 | HN4 | 109.8° | 120.1° |
| C4 | N4 | HN4A | 125.2° | 120.0° |
| HN4 | N4 | HN4A | 125.1° | 120.0° |
| N3 | C2 | O2 | 123.1° | 119.5° |
| O | C | OXT | 123.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H | N | CA | H2 | 120.0° | 123.9° |
| H | N | CA | C | 57.0° | 60.0° |
| H | N | CA | HA | 62.4° | 179.9° |
| H | N | CA | CB | 178.2° | 60.0° |
| N | CA | C | HA | 117.4° | 120.0° |
| N | CA | C | CB | 123.0° | 120.0° |
| N | CA | HA | CB | 120.6° | 120.0° |
| N | CA | CB | HBA | 66.1° | 175.0° |
| N | CA | CB | HB | 55.1° | 55.0° |
| N | CA | CB | CG | 173.9° | 65.0° |
| N | CA | C | O | 50.7° | 20.0° |
| N | CA | C | OXT | 128.1° | 160.0° |
| H2 | N | CA | C | 63.0° | 176.1° |
| H2 | N | CA | HA | 177.6° | 56.1° |
| H2 | N | CA | CB | 58.2° | 63.9° |
| C | CA | HA | CB | 118.8° | 120.0° |
| C | CA | CB | HBA | 170.8° | 55.0° |
| C | CA | CB | HB | 68.0° | 65.0° |
| C | CA | CB | CG | 50.8° | 175.0° |
| CA | C | O | OXT | 178.7° | 180.0° |
| CA | C | OXT | HXT | 178.8° | 180.0° |
| HA | CA | CB | HBA | 51.3° | 65.0° |
| HA | CA | CB | HB | 172.5° | 175.0° |
| HA | CA | CB | CG | 68.6° | 55.0° |
| HA | CA | C | O | 168.1° | 140.0° |
| HA | CA | C | OXT | 10.7° | 40.0° |
| CA | CB | HBA | HB | 118.9° | 120.0° |
| CA | CB | HBA | CG | 122.2° | 120.0° |
| CA | CB | HB | CG | 121.5° | 120.0° |
| CA | CB | CG | HG | 63.3° | 60.0° |
| CA | CB | CG | HGA | 58.9° | 60.0° |
| CA | CB | CG | N1 | 176.7° | 180.0° |
| CB | CA | C | O | 72.3° | 100.0° |
| CB | CA | C | OXT | 108.9° | 80.0° |
| HBA | CB | HB | CG | 119.2° | 120.0° |
| HBA | CB | CG | HG | 176.7° | 59.9° |
| HBA | CB | CG | HGA | 61.1° | 180.0° |
| HBA | CB | CG | N1 | 56.7° | 60.0° |
| HB | CB | CG | HG | 55.5° | 180.0° |
| HB | CB | CG | HGA | 177.7° | 60.0° |
| HB | CB | CG | N1 | 64.5° | 60.0° |
| CB | CG | HG | HGA | 117.9° | 120.0° |
| CB | CG | HG | N1 | 124.1° | 120.0° |
| CB | CG | HGA | N1 | 122.8° | 120.0° |
| CB | CG | N1 | C2 | 76.2° | 90.0° |
| CB | CG | N1 | C6 | 104.3° | 89.7° |
| HG | CG | HGA | N1 | 118.6° | 120.0° |
| HG | CG | N1 | C2 | 43.9° | 30.0° |
| HG | CG | N1 | C6 | 135.7° | 150.4° |
| HGA | CG | N1 | C2 | 166.0° | 150.0° |
| HGA | CG | N1 | C6 | 13.5° | 30.3° |
| CG | N1 | C2 | C6 | 179.6° | 179.7° |
| CG | N1 | C6 | H6 | 0.4° | 0.1° |
| CG | N1 | C6 | C5 | 179.6° | 179.9° |
| CG | N1 | C2 | N3 | 178.8° | 179.8° |
| CG | N1 | C2 | O2 | 2.2° | 0.0° |
| C2 | N1 | C6 | H6 | 179.2° | 179.7° |
| C2 | N1 | C6 | C5 | 0.8° | 0.3° |
| N1 | C2 | N3 | C4 | 2.3° | 0.6° |
| N1 | C2 | N3 | O2 | 176.4° | 179.8° |
| N1 | C6 | H6 | C5 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.0° |
| N1 | C6 | C5 | H5 | 179.1° | 179.9° |
| C6 | N1 | C2 | N3 | 0.8° | 0.6° |
| C6 | N1 | C2 | O2 | 177.4° | 179.7° |
| H6 | C6 | C5 | C4 | 179.1° | 180.0° |
| H6 | C6 | C5 | H5 | 0.9° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | N3 | 0.6° | 0.0° |
| C6 | C5 | C4 | N4 | 177.3° | 180.0° |
| C5 | C4 | N3 | N4 | 178.0° | 180.0° |
| C5 | C4 | N4 | HN4 | 1.0° | 0.0° |
| C5 | C4 | N4 | HN4A | 179.0° | 180.0° |
| C5 | C4 | N3 | C2 | 2.2° | 0.3° |
| H5 | C5 | C4 | N3 | 179.4° | 179.9° |
| H5 | C5 | C4 | N4 | 2.7° | 0.1° |
| N3 | C4 | N4 | HN4 | 179.0° | 180.0° |
| N3 | C4 | N4 | HN4A | 1.0° | 0.0° |
| C4 | N3 | C2 | O2 | 178.7° | 179.7° |
| C4 | N4 | HN4 | HN4A | 180.0° | 180.0° |
| N4 | C4 | N3 | C2 | 175.7° | 179.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
