XFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE2 | CD | sing | 1.47Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CD | NE1 | sing | 1.47Å | 1.48Å | |
| CD | CG | sing | 1.53Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| NE1 | HE12 | sing | 1.01Å | 1.00Å | |
| NE1 | HE13 | sing | 1.01Å | 1.00Å | |
| NE2 | HE22 | sing | 1.01Å | 1.00Å | |
| NE2 | HE23 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NE2 | CD | NE1 | 112.3° | 109.4° |
| NE2 | CD | CG | 113.1° | 109.5° |
| NE2 | CD | HD2 | 105.7° | 109.5° |
| CD | NE2 | HE22 | 109.5° | 111.0° |
| CD | NE2 | HE23 | 109.5° | 111.0° |
| O | C | CA | 119.3° | 120.0° |
| O | C | OXT | 125.4° | 120.0° |
| C | CA | CB | 109.0° | 109.4° |
| C | CA | N | 111.0° | 109.4° |
| C | CA | HA | 108.5° | 109.5° |
| CA | C | OXT | 115.3° | 120.0° |
| NE1 | CD | CG | 114.0° | 109.5° |
| NE1 | CD | HD2 | 105.8° | 109.5° |
| CD | NE1 | HE12 | 109.5° | 111.0° |
| CD | NE1 | HE13 | 109.5° | 111.0° |
| CD | CG | CB | 110.0° | 109.5° |
| CD | CG | HG2 | 109.3° | 109.5° |
| CD | CG | HG3 | 109.3° | 109.5° |
| CG | CD | HD2 | 105.1° | 109.5° |
| CB | CA | N | 110.5° | 109.5° |
| CA | CB | CG | 109.5° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.5° |
| CA | CB | HB3 | 109.4° | 109.4° |
| N | CA | HA | 109.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CG | CB | HB2 | 109.5° | 109.5° |
| CG | CB | HB3 | 109.5° | 109.4° |
| CB | CG | HG2 | 109.3° | 109.5° |
| CB | CG | HG3 | 109.3° | 109.4° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.4° |
| HE12 | NE1 | HE13 | 109.5° | 111.0° |
| HE22 | NE2 | HE23 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NE2 | CD | NE1 | CG | 130.2° | 120.0° |
| NE2 | CD | NE1 | HD2 | 114.8° | 120.0° |
| NE2 | CD | CG | HD2 | 114.8° | 120.0° |
| NE2 | CD | CG | CB | 112.4° | 60.0° |
| NE2 | CD | CG | HG2 | 127.5° | 179.9° |
| NE2 | CD | CG | HG3 | 7.7° | 60.0° |
| NE2 | CD | NE1 | HE12 | 180.0° | 64.0° |
| NE2 | CD | NE1 | HE13 | 60.0° | 60.0° |
| CD | NE2 | HE22 | HE23 | 120.0° | 123.9° |
| O | C | CA | OXT | 178.8° | 179.7° |
| O | C | CA | CB | 69.9° | 99.7° |
| O | C | CA | N | 52.0° | 20.3° |
| O | C | CA | HA | 172.1° | 140.3° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| C | CA | CB | N | 122.2° | 120.0° |
| C | CA | CB | HA | 118.0° | 120.0° |
| C | CA | N | HA | 119.6° | 120.0° |
| C | CA | CB | CG | 99.0° | 175.0° |
| C | CA | CB | HB2 | 141.0° | 65.0° |
| C | CA | CB | HB3 | 21.0° | 55.0° |
| C | CA | N | H | 180.0° | 64.0° |
| CA | C | OXT | HXT | 178.7° | 180.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| NE1 | CD | CG | HD2 | 115.4° | 120.0° |
| NE1 | CD | CG | CB | 117.8° | 180.0° |
| NE1 | CD | CG | HG2 | 2.3° | 60.0° |
| NE1 | CD | CG | HG3 | 122.1° | 60.0° |
| CD | NE1 | HE12 | HE13 | 120.0° | 124.0° |
| NE1 | CD | NE2 | HE22 | 180.0° | 60.0° |
| NE1 | CD | NE2 | HE23 | 60.0° | 176.0° |
| CD | CG | CB | CA | 98.0° | 180.0° |
| CD | CG | CB | HG2 | 120.1° | 120.0° |
| CD | CG | CB | HG3 | 120.1° | 120.0° |
| CD | CG | CB | HB2 | 142.0° | 60.0° |
| CD | CG | CB | HB3 | 22.0° | 60.0° |
| CD | CG | HG2 | HG3 | 119.8° | 120.0° |
| CG | CD | NE1 | HE12 | 49.8° | 56.0° |
| CG | CD | NE1 | HE13 | 169.7° | 180.0° |
| CG | CD | NE2 | HE22 | 49.3° | 60.0° |
| CG | CD | NE2 | HE23 | 70.7° | 64.0° |
| CB | CA | N | HA | 119.3° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.1° |
| CA | CB | CG | HB3 | 120.0° | 119.9° |
| CA | CB | HB2 | HB3 | 120.0° | 120.0° |
| CA | CB | CG | HG2 | 141.9° | 59.9° |
| CA | CB | CG | HG3 | 22.1° | 60.0° |
| CB | CA | N | H | 59.0° | 176.1° |
| CB | CA | C | OXT | 111.3° | 80.0° |
| CB | CA | N | H2 | 179.0° | 59.9° |
| N | CA | CB | CG | 138.8° | 65.1° |
| N | CA | CB | HB2 | 18.7° | 55.0° |
| N | CA | CB | HB3 | 101.2° | 175.0° |
| CA | N | H | H2 | 120.1° | 124.0° |
| N | CA | C | OXT | 126.8° | 160.0° |
| CG | CB | CA | HA | 19.0° | 55.0° |
| CG | CB | HB2 | HB3 | 120.0° | 120.0° |
| CB | CG | HG2 | HG3 | 119.7° | 119.9° |
| CB | CG | CD | HD2 | 2.4° | 60.0° |
| HA | CA | CB | HB2 | 101.0° | 175.1° |
| HA | CA | CB | HB3 | 139.0° | 64.9° |
| HA | CA | N | H | 60.4° | 56.0° |
| HA | CA | C | OXT | 6.8° | 40.0° |
| HA | CA | N | H2 | 59.6° | 180.0° |
| HB2 | CB | CG | HG2 | 21.9° | 180.0° |
| HB2 | CB | CG | HG3 | 97.9° | 60.1° |
| HB3 | CB | CG | HG2 | 98.1° | 60.0° |
| HB3 | CB | CG | HG3 | 142.1° | 179.9° |
| HG2 | CG | CD | HD2 | 117.7° | 60.0° |
| HG3 | CG | CD | HD2 | 122.5° | NaN° |
| HD2 | CD | NE1 | HE12 | 65.2° | 176.1° |
| HD2 | CD | NE1 | HE13 | 54.8° | 60.0° |
| HD2 | CD | NE2 | HE22 | 65.2° | 180.0° |
| HD2 | CD | NE2 | HE23 | 174.8° | 56.1° |
