NFF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.63Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| CAU | N | sing | 1.35Å | 1.32Å | |
| N | CA | sing | 1.46Å | 1.51Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| SAS | CB | sing | 1.84Å | 1.83Å | |
| CB | NAQ | sing | 1.49Å | 1.49Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CAO | CAA | sing | 1.53Å | 1.54Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAA | HAAC | sing | 1.09Å | 1.10Å | |
| CAB | CBC | sing | 1.53Å | 1.54Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CBC | CAC | sing | 1.53Å | 1.54Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAT | OAE | sing | 1.34Å | 1.25Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAU | OAF | doub | 1.22Å | 1.24Å | |
| OAG | CAT | doub | 1.21Å | 1.24Å | |
| CAL | CAI | doub | 1.36Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAM | doub | 1.36Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAN | CAK | sing | 1.36Å | 1.39Å | Aromatic |
| CAK | CAV | doub | 1.40Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAX | sing | 1.41Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAY | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAX | doub | 1.41Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | OAR | sing | 1.43Å | 1.45Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CBB | NAQ | sing | 1.47Å | 1.49Å | |
| NAQ | HNAQ | sing | 1.01Å | 1.00Å | |
| CAV | OAR | sing | 1.36Å | 1.39Å | |
| CBC | SAS | sing | 1.84Å | 1.83Å | |
| CBB | CAT | sing | 1.51Å | 1.53Å | |
| CAW | CAU | sing | 1.47Å | 1.52Å | |
| CAV | CAW | sing | 1.40Å | 1.40Å | Aromatic |
| CAY | CAW | doub | 1.46Å | 1.39Å | Aromatic |
| CAX | CAY | sing | 1.42Å | 1.40Å | Aromatic |
| CBC | CBB | sing | 1.54Å | 1.57Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 100.9° | 120.1° |
| O | C | H | 129.5° | 120.0° |
| CA | C | H | 129.6° | 120.0° |
| C | CA | N | 110.1° | 109.5° |
| C | CA | CB | 109.3° | 109.5° |
| C | CA | HAA | 105.5° | 109.5° |
| CAU | N | CA | 120.6° | 120.0° |
| CAU | N | HN | 119.7° | 120.0° |
| N | CAU | OAF | 124.8° | 120.0° |
| N | CAU | CAW | 114.0° | 120.0° |
| CA | N | HN | 119.7° | 120.0° |
| N | CA | CB | 117.5° | 109.5° |
| N | CA | HAA | 106.8° | 109.4° |
| CB | CA | HAA | 106.9° | 109.4° |
| CA | CB | SAS | 116.6° | 111.1° |
| CA | CB | NAQ | 111.5° | 111.1° |
| CA | CB | HB | 108.8° | 111.0° |
| SAS | CB | NAQ | 105.1° | 100.9° |
| SAS | CB | HB | 105.3° | 111.2° |
| CB | SAS | CBC | 97.3° | 94.9° |
| NAQ | CB | HB | 109.1° | 111.1° |
| CB | NAQ | CBB | 110.2° | 111.0° |
| CB | NAQ | HNAQ | 109.3° | 111.0° |
| CAO | CAA | HAAA | 109.5° | 109.5° |
| CAO | CAA | HAAB | 109.5° | 109.5° |
| CAO | CAA | HAAC | 109.5° | 109.5° |
| CAA | CAO | OAR | 109.7° | 109.5° |
| CAA | CAO | HAO | 109.4° | 109.5° |
| CAA | CAO | HAOA | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAC | 109.5° | 109.5° |
| HAAB | CAA | HAAC | 109.5° | 109.5° |
| CBC | CAB | HAB | 109.5° | 109.5° |
| CBC | CAB | HABA | 109.5° | 109.4° |
| CBC | CAB | HABB | 109.5° | 109.5° |
| CAB | CBC | CAC | 109.5° | 110.5° |
| CAB | CBC | SAS | 110.4° | 110.7° |
| CAB | CBC | CBB | 113.8° | 110.6° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| CBC | CAC | HAC | 109.5° | 109.5° |
| CBC | CAC | HACA | 109.5° | 109.5° |
| CBC | CAC | HACB | 109.5° | 109.5° |
| CAC | CBC | SAS | 110.4° | 110.6° |
| CAC | CBC | CBB | 114.2° | 110.7° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| CAT | OAE | HOAE | 109.5° | 117.1° |
| OAE | CAT | OAG | 125.4° | 120.0° |
| OAE | CAT | CBB | 117.8° | 120.0° |
| OAF | CAU | CAW | 121.2° | 120.0° |
| OAG | CAT | CBB | 116.7° | 120.0° |
| CAL | CAI | CAJ | 119.5° | 121.0° |
| CAL | CAI | HAI | 120.3° | 119.5° |
| CAI | CAL | CAX | 120.2° | 119.7° |
| CAI | CAL | HAL | 119.9° | 120.2° |
| CAJ | CAI | HAI | 120.2° | 119.5° |
| CAI | CAJ | CAM | 120.6° | 120.9° |
| CAI | CAJ | HAJ | 119.7° | 119.5° |
| CAM | CAJ | HAJ | 119.7° | 119.6° |
| CAJ | CAM | CAY | 119.6° | 119.6° |
| CAJ | CAM | HAM | 120.2° | 120.1° |
| CAN | CAK | CAV | 120.0° | 121.7° |
| CAN | CAK | HAK | 120.0° | 119.1° |
| CAK | CAN | CAX | 120.6° | 120.9° |
| CAK | CAN | HAN | 119.7° | 119.5° |
| CAV | CAK | HAK | 120.0° | 119.1° |
| CAK | CAV | OAR | 123.1° | 119.8° |
| CAK | CAV | CAW | 118.8° | 120.4° |
| CAX | CAL | HAL | 119.9° | 120.1° |
| CAL | CAX | CAN | 120.0° | 121.3° |
| CAL | CAX | CAY | 120.0° | 119.2° |
| CAY | CAM | HAM | 120.2° | 120.2° |
| CAM | CAY | CAW | 121.1° | 121.5° |
| CAM | CAY | CAX | 120.0° | 119.6° |
| CAX | CAN | HAN | 119.7° | 119.6° |
| CAN | CAX | CAY | 120.0° | 119.5° |
| OAR | CAO | HAO | 109.4° | 109.4° |
| OAR | CAO | HAOA | 109.4° | 109.5° |
| CAO | OAR | CAV | 119.5° | 117.0° |
| HAO | CAO | HAOA | 109.5° | 109.5° |
| CBB | NAQ | HNAQ | 109.3° | 111.0° |
| NAQ | CBB | CAT | 107.5° | 108.8° |
| NAQ | CBB | CBC | 108.5° | 112.8° |
| NAQ | CBB | HBB | 109.3° | 108.8° |
| OAR | CAV | CAW | 118.1° | 119.8° |
| SAS | CBC | CBB | 98.2° | 103.5° |
| CAT | CBB | CBC | 114.4° | 108.8° |
| CAT | CBB | HBB | 108.8° | 108.8° |
| CAU | CAW | CAV | 116.6° | 120.8° |
| CAU | CAW | CAY | 121.7° | 120.7° |
| CAV | CAW | CAY | 121.6° | 118.5° |
| CAW | CAY | CAX | 118.9° | 118.9° |
| CBC | CBB | HBB | 108.2° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | H | 180.0° | 179.8° |
| O | C | CA | N | 34.4° | 0.2° |
| O | C | CA | CB | 96.1° | 119.8° |
| O | C | CA | HAA | 149.3° | 120.2° |
| C | CA | N | CAU | 128.6° | 85.0° |
| C | CA | N | CB | 126.0° | 120.0° |
| C | CA | N | HAA | 114.1° | 120.0° |
| C | CA | N | HN | 51.4° | 95.0° |
| C | CA | CB | HAA | 113.7° | 120.1° |
| C | CA | CB | SAS | 150.8° | 51.5° |
| C | CA | CB | NAQ | 30.1° | 60.0° |
| C | CA | CB | HB | 90.3° | 175.8° |
| H | C | CA | N | 145.6° | 180.0° |
| H | C | CA | CB | 83.9° | 60.0° |
| H | C | CA | HAA | 30.7° | 60.0° |
| CAU | N | CA | HN | 180.0° | 180.0° |
| CAU | N | CA | CB | 105.4° | 155.0° |
| CAU | N | CA | HAA | 14.6° | 35.0° |
| N | CAU | OAF | CAW | 178.3° | 179.9° |
| N | CAU | CAW | CAV | 107.9° | 89.9° |
| N | CAU | CAW | CAY | 72.2° | 89.5° |
| N | CA | CB | HAA | 119.9° | 120.0° |
| N | CA | CB | SAS | 24.4° | 68.5° |
| N | CA | CB | NAQ | 96.3° | 180.0° |
| N | CA | CB | HB | 143.4° | 55.8° |
| CA | N | CAU | OAF | 2.4° | 0.0° |
| CA | N | CAU | CAW | 176.0° | 180.0° |
| HN | N | CA | CB | 74.6° | 25.0° |
| HN | N | CA | HAA | 165.4° | 144.9° |
| HN | N | CAU | OAF | 177.6° | 180.0° |
| HN | N | CAU | CAW | 4.0° | 0.1° |
| CA | CB | SAS | NAQ | 124.1° | 117.9° |
| CA | CB | SAS | HB | 120.8° | 124.2° |
| CA | CB | NAQ | HB | 120.2° | 124.1° |
| CA | CB | NAQ | CBB | 105.8° | 160.4° |
| CA | CB | NAQ | HNAQ | 14.2° | 36.4° |
| CA | CB | SAS | CBC | 130.0° | 152.5° |
| HAA | CA | CB | SAS | 95.5° | 171.6° |
| HAA | CA | CB | NAQ | 143.8° | 60.0° |
| HAA | CA | CB | HB | 23.5° | 64.2° |
| SAS | CB | NAQ | HB | 112.5° | 117.9° |
| CB | SAS | CBC | CAB | 147.7° | 136.8° |
| CB | SAS | CBC | CAC | 91.2° | 100.3° |
| SAS | CB | NAQ | CBB | 21.4° | 42.5° |
| SAS | CB | NAQ | HNAQ | 141.5° | 81.5° |
| CB | SAS | CBC | CBB | 28.5° | 18.3° |
| CB | NAQ | CBB | HNAQ | 120.1° | 124.0° |
| NAQ | CB | SAS | CBC | 5.9° | 34.6° |
| CB | NAQ | CBB | CAT | 170.3° | 89.0° |
| CB | NAQ | CBB | CBC | 46.0° | 31.9° |
| CB | NAQ | CBB | HBB | 71.8° | 152.6° |
| HB | CB | NAQ | CBB | 133.9° | 75.4° |
| HB | CB | NAQ | HNAQ | 106.0° | 160.6° |
| HB | CB | SAS | CBC | 109.2° | 83.3° |
| CAO | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAO | CAA | HAAA | HAAC | 120.0° | 120.0° |
| CAO | CAA | HAAB | HAAC | 120.0° | 120.1° |
| CAA | CAO | OAR | HAO | 120.0° | 120.0° |
| CAA | CAO | OAR | HAOA | 120.1° | 120.0° |
| CAA | CAO | HAO | HAOA | 119.9° | 120.0° |
| CAA | CAO | OAR | CAV | 124.6° | 180.0° |
| HAAA | CAA | HAAB | HAAC | 120.0° | 120.0° |
| HAAA | CAA | CAO | OAR | 180.0° | 60.0° |
| HAAA | CAA | CAO | HAO | 59.9° | 60.0° |
| HAAA | CAA | CAO | HAOA | 60.0° | 180.0° |
| HAAB | CAA | CAO | OAR | 60.0° | 60.0° |
| HAAB | CAA | CAO | HAO | 60.0° | 179.9° |
| HAAB | CAA | CAO | HAOA | 180.0° | 60.1° |
| HAAC | CAA | CAO | OAR | 60.0° | 180.0° |
| HAAC | CAA | CAO | HAO | 180.0° | 60.0° |
| HAAC | CAA | CAO | HAOA | 60.0° | 60.0° |
| CBC | CAB | HAB | HABA | 120.0° | 120.0° |
| CBC | CAB | HAB | HABB | 120.0° | 120.1° |
| CBC | CAB | HABA | HABB | 120.0° | 120.1° |
| CAB | CBC | CAC | SAS | 121.7° | 122.9° |
| CAB | CBC | CAC | CBB | 128.8° | 122.9° |
| CAB | CBC | CAC | HAC | 180.0° | 60.6° |
| CAB | CBC | CAC | HACA | 60.0° | 179.3° |
| CAB | CBC | CAC | HACB | 60.0° | 59.3° |
| CAB | CBC | CBB | NAQ | 162.1° | 114.7° |
| CAB | CBC | SAS | CBB | 119.2° | 118.5° |
| CAB | CBC | CBB | CAT | 77.9° | 124.4° |
| CAB | CBC | CBB | HBB | 43.5° | 6.1° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CBC | CAC | 180.0° | 59.4° |
| HAB | CAB | CBC | SAS | 58.3° | 63.5° |
| HAB | CAB | CBC | CBB | 51.0° | 177.7° |
| HABA | CAB | CBC | CAC | 60.0° | 179.3° |
| HABA | CAB | CBC | SAS | 178.3° | 56.4° |
| HABA | CAB | CBC | CBB | 69.1° | 57.7° |
| HABB | CAB | CBC | CAC | 60.0° | 60.7° |
| HABB | CAB | CBC | SAS | 61.7° | 176.4° |
| HABB | CAB | CBC | CBB | 170.9° | 62.3° |
| CBC | CAC | HAC | HACA | 120.0° | 120.0° |
| CBC | CAC | HAC | HACB | 120.0° | 120.0° |
| CBC | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | CBC | CBB | NAQ | 71.3° | 122.5° |
| CAC | CBC | SAS | CBB | 119.7° | 118.6° |
| CAC | CBC | CBB | CAT | 48.7° | 1.6° |
| CAC | CBC | CBB | HBB | 170.2° | 116.8° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CBC | SAS | 58.3° | 176.4° |
| HAC | CAC | CBC | CBB | 51.1° | 62.3° |
| HACA | CAC | CBC | SAS | 61.7° | 56.4° |
| HACA | CAC | CBC | CBB | 171.2° | 57.8° |
| HACB | CAC | CBC | SAS | 178.3° | 63.6° |
| HACB | CAC | CBC | CBB | 68.9° | 177.8° |
| OAE | CAT | OAG | CBB | 177.6° | 180.0° |
| OAE | CAT | CBB | NAQ | 15.2° | 161.5° |
| OAE | CAT | CBB | CBC | 105.4° | 75.2° |
| OAE | CAT | CBB | HBB | 133.5° | 43.0° |
| HOAE | OAE | CAT | OAG | 0.0° | 0.0° |
| HOAE | OAE | CAT | CBB | 177.5° | 180.0° |
| OAF | CAU | CAW | CAV | 70.5° | 90.0° |
| OAF | CAU | CAW | CAY | 109.4° | 90.6° |
| OAG | CAT | CBB | NAQ | 162.5° | 18.5° |
| OAG | CAT | CBB | CBC | 76.9° | 104.8° |
| OAG | CAT | CBB | HBB | 44.3° | 137.0° |
| CAL | CAI | CAJ | HAI | 180.0° | 179.6° |
| CAL | CAI | CAJ | CAM | 0.3° | 0.3° |
| CAL | CAI | CAJ | HAJ | 179.7° | 179.8° |
| CAI | CAL | CAX | HAL | 180.0° | 180.0° |
| CAI | CAL | CAX | CAN | 179.6° | 180.0° |
| CAI | CAL | CAX | CAY | 0.1° | 0.5° |
| CAI | CAJ | CAM | HAJ | 180.0° | 179.9° |
| CAJ | CAI | CAL | CAX | 0.3° | 0.1° |
| CAJ | CAI | CAL | HAL | 179.7° | 179.9° |
| CAI | CAJ | CAM | CAY | 0.1° | 0.0° |
| CAI | CAJ | CAM | HAM | 179.9° | 179.9° |
| HAI | CAI | CAJ | CAM | 179.7° | 179.9° |
| HAI | CAI | CAJ | HAJ | 0.3° | 0.2° |
| HAI | CAI | CAL | CAX | 179.7° | 179.7° |
| HAI | CAI | CAL | HAL | 0.3° | 0.3° |
| CAJ | CAM | CAY | HAM | 180.0° | 179.9° |
| CAJ | CAM | CAY | CAW | 179.7° | 179.7° |
| CAJ | CAM | CAY | CAX | 0.1° | 0.5° |
| HAJ | CAJ | CAM | CAY | 179.9° | 179.9° |
| HAJ | CAJ | CAM | HAM | 0.1° | 0.0° |
| CAN | CAK | CAV | HAK | 180.0° | 179.4° |
| CAK | CAN | CAX | CAL | 179.8° | 180.0° |
| CAK | CAN | CAX | HAN | 180.0° | 180.0° |
| CAN | CAK | CAV | OAR | 179.4° | 179.4° |
| CAN | CAK | CAV | CAW | 0.3° | 0.6° |
| CAK | CAN | CAX | CAY | 0.3° | 0.5° |
| CAV | CAK | CAN | CAX | 0.0° | 0.1° |
| CAV | CAK | CAN | HAN | 180.0° | 180.0° |
| CAK | CAV | OAR | CAO | 16.9° | 0.0° |
| CAK | CAV | OAR | CAW | 179.7° | 179.9° |
| CAK | CAV | CAW | CAU | 179.6° | 180.0° |
| CAK | CAV | CAW | CAY | 0.3° | 0.6° |
| HAK | CAK | CAN | CAX | 180.0° | 179.4° |
| HAK | CAK | CAN | HAN | 0.0° | 0.6° |
| HAK | CAK | CAV | OAR | 0.7° | 0.1° |
| HAK | CAK | CAV | CAW | 179.7° | 180.0° |
| CAL | CAX | CAY | CAM | 0.1° | 0.8° |
| CAL | CAX | CAN | CAY | 179.5° | 179.5° |
| CAL | CAX | CAN | HAN | 0.2° | 0.0° |
| CAL | CAX | CAY | CAW | 179.8° | 180.0° |
| HAL | CAL | CAX | CAN | 0.4° | 0.1° |
| HAL | CAL | CAX | CAY | 179.9° | 179.5° |
| CAM | CAY | CAX | CAN | 179.4° | 179.7° |
| CAM | CAY | CAW | CAU | 0.2° | 0.2° |
| CAM | CAY | CAW | CAV | 179.7° | 179.2° |
| CAM | CAY | CAW | CAX | 179.6° | 179.2° |
| HAM | CAM | CAY | CAW | 0.2° | 0.3° |
| HAM | CAM | CAY | CAX | 179.9° | 179.6° |
| CAN | CAX | CAY | CAW | 0.3° | 0.5° |
| HAN | CAN | CAX | CAY | 179.7° | 179.5° |
| OAR | CAO | HAO | HAOA | 119.9° | 120.0° |
| CAO | OAR | CAV | CAW | 163.4° | 180.0° |
| HAO | CAO | OAR | CAV | 4.5° | 60.0° |
| HAOA | CAO | OAR | CAV | 115.4° | 60.0° |
| NAQ | CBB | CBC | SAS | 45.4° | 3.9° |
| NAQ | CBB | CAT | CBC | 120.6° | 123.3° |
| NAQ | CBB | CAT | HBB | 118.3° | 118.5° |
| NAQ | CBB | CBC | HBB | 118.5° | 120.8° |
| HNAQ | NAQ | CBB | CAT | 69.6° | 147.0° |
| HNAQ | NAQ | CBB | CBC | 166.1° | 92.1° |
| HNAQ | NAQ | CBB | HBB | 48.3° | 28.6° |
| OAR | CAV | CAW | CAU | 0.7° | 0.1° |
| OAR | CAV | CAW | CAY | 179.4° | 179.5° |
| SAS | CBC | CBB | CAT | 165.5° | 117.0° |
| SAS | CBC | CBB | HBB | 73.1° | 124.7° |
| CAT | CBB | CBC | HBB | 121.4° | 118.3° |
| CAU | CAW | CAV | CAY | 179.9° | 179.4° |
| CAU | CAW | CAY | CAX | 179.9° | 179.4° |
| CAV | CAW | CAY | CAX | 0.0° | 0.1° |
