NIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C | doub | 1.21Å | 1.25Å | |
| NF | CF | doub | 1.29Å | 1.26Å | |
| NF | HNF | sing | 0.97Å | 1.00Å | |
| CF | N | sing | 1.37Å | 1.48Å | |
| CF | HF | sing | 1.08Å | 1.08Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.52Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | OE1 | doub | 1.21Å | 1.26Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| OE2 | HOE2 | sing | 0.97Å | 0.95Å | |
| C | O2 | sing | 1.34Å | 1.25Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | CA | 120.8° | 120.0° |
| O1 | C | O2 | 119.0° | 120.0° |
| CF | NF | HNF | 109.8° | 120.0° |
| NF | CF | N | 120.4° | 120.0° |
| NF | CF | HF | 119.8° | 120.0° |
| N | CF | HF | 119.8° | 119.9° |
| CF | N | CA | 121.0° | 120.0° |
| CF | N | HN | 119.5° | 120.0° |
| CA | N | HN | 119.5° | 120.0° |
| N | CA | CB | 111.2° | 109.5° |
| N | CA | C | 110.7° | 109.5° |
| N | CA | HA | 107.6° | 109.4° |
| CB | CA | C | 109.8° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | CG | 110.1° | 109.5° |
| CA | CB | HB1 | 109.3° | 109.4° |
| CA | CB | HB2 | 109.2° | 109.4° |
| C | CA | HA | 109.0° | 109.5° |
| CA | C | O2 | 120.2° | 120.0° |
| CG | CB | HB1 | 109.3° | 109.5° |
| CG | CB | HB2 | 109.1° | 109.5° |
| CB | CG | CD | 112.8° | 109.5° |
| CB | CG | HG1 | 108.4° | 109.5° |
| CB | CG | HG2 | 107.6° | 109.4° |
| HB1 | CB | HB2 | 109.9° | 109.5° |
| CD | CG | HG1 | 108.4° | 109.5° |
| CD | CG | HG2 | 107.6° | 109.5° |
| CG | CD | OE1 | 121.1° | 120.0° |
| CG | CD | OE2 | 119.1° | 120.0° |
| HG1 | CG | HG2 | 112.1° | 109.5° |
| OE1 | CD | OE2 | 119.9° | 120.0° |
| CD | OE2 | HOE2 | 109.5° | 117.1° |
| C | O2 | HO2 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | CA | N | 0.1° | 0.0° |
| O1 | C | CA | CB | 123.2° | 120.0° |
| O1 | C | CA | O2 | 179.6° | 180.0° |
| O1 | C | CA | HA | 118.0° | 120.0° |
| O1 | C | O2 | HO2 | 0.0° | 0.0° |
| NF | CF | N | HF | 180.0° | 179.9° |
| NF | CF | N | CA | 97.7° | 0.0° |
| NF | CF | N | HN | 82.3° | 179.9° |
| HNF | NF | CF | N | 0.0° | 0.0° |
| HNF | NF | CF | HF | 180.0° | 180.0° |
| CF | N | CA | HN | 180.0° | 179.9° |
| CF | N | CA | CB | 58.5° | 155.0° |
| CF | N | CA | C | 179.2° | 85.0° |
| CF | N | CA | HA | 60.2° | 35.0° |
| HF | CF | N | CA | 82.3° | 180.0° |
| HF | CF | N | HN | 97.7° | 0.1° |
| N | CA | CB | C | 122.8° | 120.0° |
| N | CA | CB | HA | 118.1° | 120.0° |
| N | CA | C | HA | 118.1° | 119.9° |
| N | CA | CB | CG | 155.1° | 65.0° |
| N | CA | CB | HB1 | 35.0° | 55.1° |
| N | CA | CB | HB2 | 85.2° | 175.0° |
| N | CA | C | O2 | 179.7° | 180.0° |
| HN | N | CA | CB | 121.5° | 25.0° |
| HN | N | CA | C | 0.8° | 95.1° |
| HN | N | CA | HA | 119.8° | 144.9° |
| CB | CA | C | HA | 118.8° | 120.0° |
| CA | CB | CG | HB1 | 120.0° | 120.0° |
| CA | CB | CG | HB2 | 119.8° | 120.0° |
| CA | CB | HB1 | HB2 | 119.8° | 119.9° |
| CA | CB | CG | CD | 143.9° | 180.0° |
| CA | CB | CG | HG1 | 96.1° | 60.0° |
| CA | CB | CG | HG2 | 25.3° | 60.0° |
| CB | CA | C | O2 | 57.2° | 60.0° |
| C | CA | CB | CG | 82.2° | 175.0° |
| C | CA | CB | HB1 | 157.8° | 65.0° |
| C | CA | CB | HB2 | 37.6° | 55.0° |
| CA | C | O2 | HO2 | 179.6° | 180.0° |
| HA | CA | CB | CG | 36.9° | 55.0° |
| HA | CA | CB | HB1 | 83.1° | 175.0° |
| HA | CA | CB | HB2 | 156.7° | 65.0° |
| HA | CA | C | O2 | 61.5° | 60.1° |
| CG | CB | HB1 | HB2 | 119.7° | 120.0° |
| CB | CG | CD | HG1 | 120.0° | 120.0° |
| CB | CG | CD | HG2 | 118.6° | 119.9° |
| CB | CG | HG1 | HG2 | 118.6° | 120.0° |
| CB | CG | CD | OE1 | 33.3° | 0.0° |
| CB | CG | CD | OE2 | 146.7° | 180.0° |
| HB1 | CB | CG | CD | 23.9° | 60.0° |
| HB1 | CB | CG | HG1 | 143.9° | 180.0° |
| HB1 | CB | CG | HG2 | 94.7° | 60.0° |
| HB2 | CB | CG | CD | 96.3° | 60.0° |
| HB2 | CB | CG | HG1 | 23.7° | 60.0° |
| HB2 | CB | CG | HG2 | 145.1° | 180.0° |
| CD | CG | HG1 | HG2 | 118.7° | 120.1° |
| CG | CD | OE1 | OE2 | 180.0° | 180.0° |
| CG | CD | OE2 | HOE2 | 180.0° | 180.0° |
| HG1 | CG | CD | OE1 | 86.7° | 119.9° |
| HG1 | CG | CD | OE2 | 93.3° | 60.0° |
| HG2 | CG | CD | OE1 | 151.9° | 120.0° |
| HG2 | CG | CD | OE2 | 28.1° | 60.1° |
| OE1 | CD | OE2 | HOE2 | 0.0° | 0.1° |
