OHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.54Å | |
| N | SAX | sing | 1.66Å | 1.66Å | |
| N | CAO | sing | 1.46Å | 1.48Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAA | HAAC | sing | 1.09Å | 1.10Å | |
| OAE | NAQ | sing | 1.42Å | 1.36Å | |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | NAP | sing | 1.32Å | 1.33Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| NAP | CAF | doub | 1.32Å | 1.33Å | Aromatic |
| NAQ | C | sing | 1.35Å | 1.33Å | |
| OAR | CAA | sing | 1.43Å | 1.43Å | |
| OAR | CAU | sing | 1.36Å | 1.36Å | |
| CAT | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAO | sing | 1.51Å | 1.54Å | |
| CAU | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | SAX | sing | 1.76Å | 1.74Å | |
| SAX | OAC | doub | 1.42Å | 1.50Å | |
| SAX | OAD | doub | 1.42Å | 1.50Å | |
| OAE | H16 | sing | 0.97Å | 0.95Å | |
| NAQ | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 121.3° | 120.0° |
| C | CA | N | 111.5° | 109.5° |
| C | CA | HA | 108.8° | 109.5° |
| C | CA | HAA | 108.8° | 109.5° |
| CA | C | NAQ | 115.8° | 120.0° |
| SAX | N | CAO | 107.6° | 120.0° |
| SAX | N | CA | 110.4° | 120.0° |
| N | SAX | CAV | 110.9° | 107.2° |
| N | SAX | OAC | 109.6° | 106.4° |
| N | SAX | OAD | 110.6° | 106.4° |
| CAO | N | CA | 112.4° | 120.0° |
| N | CAO | HAO | 107.7° | 109.4° |
| N | CAO | HAOA | 107.7° | 109.5° |
| N | CAO | CAT | 114.8° | 109.5° |
| O | C | NAQ | 122.9° | 120.0° |
| N | CA | HA | 108.8° | 109.5° |
| N | CA | HAA | 108.8° | 109.4° |
| HA | CA | HAA | 110.1° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAC | 109.5° | 109.5° |
| HAAA | CAA | OAR | 109.5° | 109.4° |
| HAAB | CAA | HAAC | 109.5° | 109.5° |
| HAAB | CAA | OAR | 109.5° | 109.5° |
| HAAC | CAA | OAR | 109.5° | 109.5° |
| OAE | NAQ | C | 118.6° | 120.0° |
| NAQ | OAE | H16 | 109.5° | 114.0° |
| OAE | NAQ | H17 | 120.7° | 120.0° |
| CAH | CAF | HAF | 119.6° | 119.6° |
| CAF | CAH | HAH | 120.3° | 120.4° |
| CAH | CAF | NAP | 120.8° | 120.8° |
| CAF | CAH | CAT | 119.3° | 119.2° |
| HAF | CAF | NAP | 119.6° | 119.6° |
| CAI | CAG | NAP | 120.8° | 120.8° |
| CAI | CAG | HAG | 119.6° | 119.6° |
| CAG | CAI | CAT | 119.2° | 119.1° |
| CAG | CAI | HAI | 120.4° | 120.4° |
| NAP | CAG | HAG | 119.6° | 119.6° |
| CAG | NAP | CAF | 121.5° | 121.7° |
| HAH | CAH | CAT | 120.4° | 120.5° |
| CAT | CAI | HAI | 120.4° | 120.4° |
| CAI | CAT | CAH | 118.4° | 118.5° |
| CAI | CAT | CAO | 122.5° | 120.8° |
| CAL | CAJ | HAJ | 119.9° | 120.1° |
| CAJ | CAL | CAV | 119.9° | 120.1° |
| CAJ | CAL | HAL | 120.0° | 119.9° |
| CAL | CAJ | CAU | 120.3° | 119.9° |
| HAJ | CAJ | CAU | 119.8° | 120.0° |
| CAM | CAK | HAK | 119.9° | 120.0° |
| CAK | CAM | CAV | 119.8° | 120.1° |
| CAK | CAM | HAM | 120.1° | 120.0° |
| CAM | CAK | CAU | 120.2° | 120.0° |
| HAK | CAK | CAU | 119.9° | 120.0° |
| CAV | CAL | HAL | 120.1° | 120.0° |
| CAL | CAV | CAM | 120.1° | 120.1° |
| CAL | CAV | SAX | 119.7° | 119.9° |
| CAV | CAM | HAM | 120.1° | 120.0° |
| CAM | CAV | SAX | 120.2° | 120.0° |
| HAO | CAO | HAOA | 111.2° | 109.4° |
| HAO | CAO | CAT | 107.7° | 109.5° |
| HAOA | CAO | CAT | 107.8° | 109.5° |
| C | NAQ | H17 | 120.7° | 119.9° |
| CAA | OAR | CAU | 110.7° | 117.0° |
| OAR | CAU | CAJ | 120.1° | 120.1° |
| OAR | CAU | CAK | 120.2° | 120.1° |
| CAH | CAT | CAO | 119.1° | 120.8° |
| CAJ | CAU | CAK | 119.7° | 119.9° |
| CAV | SAX | OAC | 109.2° | 106.4° |
| CAV | SAX | OAD | 107.7° | 106.4° |
| OAC | SAX | OAD | 108.8° | 123.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | N | SAX | 91.4° | 95.1° |
| C | CA | N | CAO | 148.5° | 85.0° |
| CA | C | O | NAQ | 180.0° | 179.7° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | N | HAA | 120.0° | 119.9° |
| C | CA | HA | HAA | 119.2° | 120.0° |
| CA | C | NAQ | OAE | 180.0° | 180.0° |
| CA | C | NAQ | H17 | 0.0° | 0.0° |
| SAX | N | CAO | CA | 121.8° | 179.9° |
| SAX | N | CA | HA | 28.6° | 25.0° |
| SAX | N | CA | HAA | 148.6° | 145.0° |
| N | SAX | CAV | CAL | 75.5° | 90.0° |
| N | SAX | CAV | CAM | 105.4° | 90.0° |
| SAX | N | CAO | HAO | 52.0° | 145.0° |
| SAX | N | CAO | HAOA | 68.0° | 25.1° |
| SAX | N | CAO | CAT | 172.0° | 95.0° |
| N | SAX | CAV | OAC | 120.8° | 113.6° |
| N | SAX | CAV | OAD | 121.1° | 113.5° |
| N | SAX | OAC | OAD | 121.0° | 123.0° |
| CAO | N | CA | HA | 91.6° | 155.0° |
| CAO | N | CA | HAA | 28.4° | 34.9° |
| N | CAO | CAT | CAI | 6.6° | 90.0° |
| N | CAO | HAO | HAOA | 117.8° | 120.0° |
| N | CAO | HAO | CAT | 124.4° | 120.0° |
| N | CAO | HAOA | CAT | 124.4° | 120.1° |
| N | CAO | CAT | CAH | 173.4° | 89.4° |
| CAO | N | SAX | CAV | 142.9° | 90.0° |
| CAO | N | SAX | OAC | 96.4° | 156.4° |
| CAO | N | SAX | OAD | 23.5° | 23.5° |
| O | C | CA | N | 45.1° | 0.0° |
| O | C | CA | HA | 165.1° | 120.0° |
| O | C | CA | HAA | 74.9° | 119.9° |
| O | C | NAQ | OAE | 0.0° | 0.3° |
| O | C | NAQ | H17 | 179.9° | 179.7° |
| N | CA | HA | HAA | 119.1° | 120.0° |
| CA | N | CAO | HAO | 173.7° | 35.1° |
| CA | N | CAO | HAOA | 53.7° | 155.0° |
| N | CA | C | NAQ | 134.8° | 179.7° |
| CA | N | CAO | CAT | 66.3° | 85.0° |
| CA | N | SAX | CAV | 94.1° | 90.0° |
| CA | N | SAX | OAC | 26.6° | 23.5° |
| CA | N | SAX | OAD | 146.5° | 156.4° |
| HA | CA | C | NAQ | 14.8° | 59.7° |
| HAA | CA | C | NAQ | 105.2° | 60.3° |
| HAAA | CAA | HAAB | HAAC | 120.0° | 120.1° |
| HAAA | CAA | HAAB | OAR | 120.0° | 119.9° |
| HAAA | CAA | HAAC | OAR | 120.0° | 120.0° |
| HAAA | CAA | OAR | CAU | 180.0° | 60.0° |
| HAAB | CAA | HAAC | OAR | 120.0° | 120.0° |
| HAAB | CAA | OAR | CAU | 60.0° | 180.0° |
| HAAC | CAA | OAR | CAU | 60.0° | 60.0° |
| OAE | NAQ | C | H17 | 180.0° | 180.0° |
| CAH | CAF | HAF | NAP | 180.0° | 179.6° |
| CAH | CAF | NAP | CAG | 0.0° | 0.0° |
| CAF | CAH | HAH | CAT | 180.0° | 180.0° |
| CAF | CAH | CAT | CAI | 0.1° | 0.0° |
| CAF | CAH | CAT | CAO | 180.0° | 179.4° |
| HAF | CAF | NAP | CAG | 180.0° | 179.7° |
| HAF | CAF | CAH | HAH | 0.0° | 0.1° |
| HAF | CAF | CAH | CAT | 180.0° | 180.0° |
| CAI | CAG | NAP | HAG | 180.0° | 179.1° |
| CAG | CAI | CAT | HAI | 180.0° | 179.2° |
| CAI | CAG | NAP | CAF | 0.1° | 0.6° |
| CAG | CAI | CAT | CAH | 0.1° | 0.5° |
| CAG | CAI | CAT | CAO | 179.9° | 180.0° |
| NAP | CAG | CAI | CAT | 0.1° | 0.8° |
| NAP | CAG | CAI | HAI | 179.9° | 180.0° |
| HAG | CAG | CAI | CAT | 179.9° | 179.9° |
| HAG | CAG | CAI | HAI | 0.1° | 0.9° |
| HAG | CAG | NAP | CAF | 179.9° | 179.7° |
| HAH | CAH | CAT | CAI | 180.0° | 180.0° |
| HAH | CAH | CAF | NAP | 180.0° | 179.7° |
| HAH | CAH | CAT | CAO | 0.0° | 0.5° |
| CAI | CAT | CAO | HAO | 113.4° | 30.0° |
| CAI | CAT | CAO | HAOA | 126.6° | 150.0° |
| CAI | CAT | CAH | CAO | 180.0° | 179.4° |
| HAI | CAI | CAT | CAH | 179.9° | 179.7° |
| HAI | CAI | CAT | CAO | 0.1° | 0.9° |
| CAL | CAJ | HAJ | CAU | 180.0° | 179.7° |
| CAJ | CAL | CAV | HAL | 180.0° | 180.0° |
| CAJ | CAL | CAV | CAM | 0.6° | 0.0° |
| CAL | CAJ | CAU | OAR | 180.0° | 180.0° |
| CAL | CAJ | CAU | CAK | 0.3° | 0.0° |
| CAJ | CAL | CAV | SAX | 179.7° | 180.0° |
| HAJ | CAJ | CAL | CAV | 179.5° | 180.0° |
| HAJ | CAJ | CAL | HAL | 0.5° | 0.0° |
| HAJ | CAJ | CAU | OAR | 0.0° | 0.3° |
| HAJ | CAJ | CAU | CAK | 179.7° | 179.7° |
| CAM | CAK | HAK | CAU | 180.0° | 179.2° |
| CAK | CAM | CAV | CAL | 0.5° | 0.5° |
| CAK | CAM | CAV | HAM | 180.0° | 180.0° |
| CAM | CAK | CAU | OAR | 179.9° | 179.5° |
| CAM | CAK | CAU | CAJ | 0.2° | 0.5° |
| CAK | CAM | CAV | SAX | 179.6° | 179.5° |
| HAK | CAK | CAM | CAV | 179.7° | 180.0° |
| HAK | CAK | CAM | HAM | 0.3° | 0.1° |
| HAK | CAK | CAU | OAR | 0.1° | 0.3° |
| HAK | CAK | CAU | CAJ | 179.8° | 179.7° |
| CAL | CAV | CAM | SAX | 179.1° | 180.0° |
| CAL | CAV | CAM | HAM | 179.5° | 179.4° |
| CAV | CAL | CAJ | CAU | 0.5° | 0.3° |
| CAL | CAV | SAX | OAC | 163.7° | 23.6° |
| CAL | CAV | SAX | OAD | 45.6° | 156.5° |
| HAL | CAL | CAV | CAM | 179.4° | 180.0° |
| HAL | CAL | CAJ | CAU | 179.5° | 179.7° |
| HAL | CAL | CAV | SAX | 0.4° | 0.0° |
| CAV | CAM | CAK | CAU | 0.3° | 0.8° |
| CAM | CAV | SAX | OAC | 15.4° | 156.4° |
| CAM | CAV | SAX | OAD | 133.5° | 23.5° |
| HAM | CAM | CAK | CAU | 179.7° | 179.2° |
| HAM | CAM | CAV | SAX | 0.5° | 0.6° |
| HAO | CAO | HAOA | CAT | 117.8° | 120.0° |
| HAO | CAO | CAT | CAH | 66.6° | 150.6° |
| HAOA | CAO | CAT | CAH | 53.4° | 30.6° |
| NAP | CAF | CAH | CAT | 0.0° | 0.3° |
| C | NAQ | OAE | H16 | 0.0° | 180.0° |
| CAA | OAR | CAU | CAJ | 81.8° | 180.0° |
| CAA | OAR | CAU | CAK | 98.5° | 0.0° |
| OAR | CAU | CAJ | CAK | 179.7° | 180.0° |
| CAV | SAX | OAC | OAD | 117.4° | 122.9° |
| H16 | OAE | NAQ | H17 | 180.0° | 0.0° |
