CGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | OAM | sing | 1.34Å | 1.48Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | CAK | sing | 1.47Å | 1.49Å | |
| N | CAL | sing | 1.47Å | 1.47Å | |
| CL1 | CAP | sing | 1.74Å | 1.80Å | |
| CA | CAS | sing | 1.51Å | 1.49Å | |
| CAA | OAM | sing | 1.45Å | 1.44Å | |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAI | doub | 1.33Å | 1.38Å | Aromatic |
| CAF | SAN | sing | 1.76Å | 1.73Å | Aromatic |
| CAG | CAP | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAK | sing | 1.53Å | 1.54Å | |
| CAJ | CAR | sing | 1.51Å | 1.52Å | |
| CAL | CAQ | sing | 1.52Å | 1.50Å | |
| SAN | CAR | sing | 1.76Å | 1.71Å | Aromatic |
| CAP | CAS | sing | 1.38Å | 1.37Å | Aromatic |
| CAQ | CAR | doub | 1.35Å | 1.48Å | Aromatic |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 122.7° | 120.0° |
| O | C | OAM | 117.2° | 120.0° |
| CA | C | OAM | 120.1° | 120.0° |
| C | CA | N | 120.6° | 109.5° |
| C | CA | CAS | 115.1° | 109.5° |
| C | CA | HA | 96.0° | 109.5° |
| C | OAM | CAA | 123.9° | 117.0° |
| CA | N | CAK | 122.2° | 111.0° |
| CA | N | CAL | 114.0° | 111.0° |
| N | CA | CAS | 111.0° | 109.4° |
| N | CA | HA | 101.8° | 109.5° |
| CAK | N | CAL | 123.5° | 111.3° |
| N | CAK | CAJ | 106.2° | 109.1° |
| N | CAK | HAK | 110.6° | 109.5° |
| N | CAK | HAKA | 110.6° | 109.5° |
| N | CAL | CAQ | 102.3° | 108.6° |
| N | CAL | HAL | 112.0° | 109.6° |
| N | CAL | HALA | 112.0° | 109.6° |
| CL1 | CAP | CAG | 123.0° | 120.0° |
| CL1 | CAP | CAS | 117.1° | 120.0° |
| CA | CAS | CAH | 124.3° | 120.0° |
| CA | CAS | CAP | 114.0° | 120.0° |
| CAS | CA | HA | 109.7° | 109.5° |
| OAM | CAA | HAA | 109.5° | 109.5° |
| OAM | CAA | HAAA | 109.5° | 109.5° |
| OAM | CAA | HAAB | 109.4° | 109.5° |
| CAE | CAD | CAG | 122.2° | 120.0° |
| CAD | CAE | CAH | 118.4° | 120.0° |
| CAE | CAD | HAD | 118.9° | 120.0° |
| CAD | CAE | HAE | 120.8° | 120.0° |
| CAD | CAG | CAP | 118.6° | 120.0° |
| CAG | CAD | HAD | 118.9° | 120.0° |
| CAD | CAG | HAG | 120.7° | 120.0° |
| CAE | CAH | CAS | 119.3° | 120.0° |
| CAH | CAE | HAE | 120.8° | 120.0° |
| CAE | CAH | HAH | 120.4° | 120.0° |
| CAI | CAF | SAN | 109.0° | 109.6° |
| CAF | CAI | CAQ | 114.8° | 115.6° |
| CAI | CAF | HAF | 125.5° | 125.2° |
| CAF | CAI | HAI | 122.6° | 122.1° |
| CAF | SAN | CAR | 96.3° | 91.1° |
| SAN | CAF | HAF | 125.5° | 125.2° |
| CAG | CAP | CAS | 119.9° | 120.0° |
| CAP | CAG | HAG | 120.7° | 120.0° |
| CAH | CAS | CAP | 121.7° | 120.0° |
| CAS | CAH | HAH | 120.4° | 120.0° |
| CAI | CAQ | CAL | 129.3° | 124.2° |
| CAI | CAQ | CAR | 113.2° | 113.7° |
| CAQ | CAI | HAI | 122.6° | 122.2° |
| CAK | CAJ | CAR | 106.7° | 108.1° |
| CAK | CAJ | HAJ | 110.4° | 109.7° |
| CAK | CAJ | HAJA | 110.4° | 109.7° |
| CAJ | CAK | HAK | 110.6° | 109.6° |
| CAJ | CAK | HAKA | 110.6° | 109.6° |
| CAJ | CAR | SAN | 122.7° | 126.0° |
| CAJ | CAR | CAQ | 130.7° | 124.0° |
| CAR | CAJ | HAJ | 110.4° | 109.8° |
| CAR | CAJ | HAJA | 110.4° | 109.8° |
| CAL | CAQ | CAR | 117.5° | 122.1° |
| CAQ | CAL | HAL | 111.9° | 109.6° |
| CAQ | CAL | HALA | 111.9° | 109.6° |
| SAN | CAR | CAQ | 106.6° | 110.0° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| HAJ | CAJ | HAJA | 108.5° | 109.7° |
| HAK | CAK | HAKA | 108.3° | 109.6° |
| HAL | CAL | HALA | 106.9° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OAM | 179.7° | 179.7° |
| O | C | CA | N | 79.1° | 29.2° |
| O | C | CA | CAS | 58.4° | 90.8° |
| O | C | OAM | CAA | 150.4° | 0.1° |
| O | C | CA | HA | 173.4° | 149.2° |
| C | CA | N | CAS | 139.0° | 120.0° |
| C | CA | N | HA | 104.3° | 120.0° |
| C | CA | N | CAK | 122.6° | 177.5° |
| C | CA | N | CAL | 62.9° | 53.1° |
| C | CA | CAS | HA | 106.9° | 120.0° |
| CA | C | OAM | CAA | 29.3° | 179.7° |
| C | CA | CAS | CAH | 65.0° | 92.9° |
| C | CA | CAS | CAP | 116.7° | 87.1° |
| OAM | C | CA | N | 101.2° | 151.1° |
| OAM | C | CA | CAS | 121.3° | 88.9° |
| OAM | C | CA | HA | 6.3° | 31.1° |
| C | OAM | CAA | HAA | 180.0° | 179.9° |
| C | OAM | CAA | HAAA | 60.0° | 60.0° |
| C | OAM | CAA | HAAB | 60.0° | 60.0° |
| CA | N | CAK | CAL | 173.9° | 124.2° |
| N | CA | CAS | HA | 111.7° | 120.0° |
| N | CA | CAS | CAH | 76.4° | 27.1° |
| CA | N | CAK | CAJ | 101.2° | 163.9° |
| CA | N | CAL | CAQ | 113.7° | 176.9° |
| N | CA | CAS | CAP | 101.9° | 152.9° |
| CA | N | CAK | HAK | 138.8° | 44.0° |
| CA | N | CAK | HAKA | 18.8° | 76.1° |
| CA | N | CAL | HAL | 6.3° | 57.2° |
| CA | N | CAL | HALA | 126.3° | 63.4° |
| CAK | N | CA | CAS | 16.3° | 62.5° |
| N | CAK | CAJ | HAK | 120.0° | 119.9° |
| N | CAK | CAJ | HAKA | 120.0° | 119.9° |
| N | CAK | CAJ | CAR | 35.3° | 48.8° |
| CAK | N | CAL | CAQ | 60.7° | 52.6° |
| CAK | N | CA | HA | 133.0° | 57.5° |
| N | CAK | CAJ | HAJ | 155.2° | 70.9° |
| N | CAK | CAJ | HAJA | 84.7° | 168.5° |
| N | CAK | HAK | HAKA | 121.4° | 120.2° |
| CAK | N | CAL | HAL | 179.3° | 67.1° |
| CAK | N | CAL | HALA | 59.3° | 172.4° |
| CAL | N | CA | CAS | 158.1° | 173.1° |
| N | CAL | CAQ | CAI | 160.3° | 162.6° |
| CAL | N | CAK | CAJ | 72.7° | 71.9° |
| N | CAL | CAQ | HAL | 120.0° | 119.7° |
| N | CAL | CAQ | HALA | 120.0° | 119.7° |
| N | CAL | CAQ | CAR | 19.4° | 17.3° |
| CAL | N | CA | HA | 41.4° | 66.9° |
| CAL | N | CAK | HAK | 47.3° | 168.2° |
| CAL | N | CAK | HAKA | 167.3° | 48.0° |
| N | CAL | HAL | HALA | 122.9° | 120.5° |
| CL1 | CAP | CAS | CA | 1.0° | 0.1° |
| CL1 | CAP | CAG | CAD | 179.9° | 180.0° |
| CL1 | CAP | CAG | CAS | 179.5° | 179.9° |
| CL1 | CAP | CAS | CAH | 179.4° | 180.0° |
| CL1 | CAP | CAG | HAG | 0.1° | 0.0° |
| CA | CAS | CAH | CAE | 179.6° | 180.0° |
| CA | CAS | CAP | CAG | 179.4° | 180.0° |
| CA | CAS | CAH | CAP | 178.2° | 180.0° |
| CA | CAS | CAH | HAH | 0.4° | 0.1° |
| OAM | CAA | HAA | HAAA | 120.0° | 120.1° |
| OAM | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAM | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAE | CAD | CAG | HAD | 180.0° | 179.6° |
| CAD | CAE | CAH | HAE | 180.0° | 180.0° |
| CAE | CAD | CAG | CAP | 0.1° | 0.1° |
| CAD | CAE | CAH | CAS | 1.1° | 0.0° |
| CAE | CAD | CAG | HAG | 180.0° | 180.0° |
| CAD | CAE | CAH | HAH | 178.9° | 180.0° |
| CAG | CAD | CAE | CAH | 0.4° | 0.1° |
| CAD | CAG | CAP | HAG | 180.0° | 179.9° |
| CAD | CAG | CAP | CAS | 0.4° | 0.1° |
| CAG | CAD | CAE | HAE | 179.6° | 179.9° |
| CAE | CAH | CAS | HAH | 180.0° | 180.0° |
| CAE | CAH | CAS | CAP | 1.4° | 0.0° |
| CAH | CAE | CAD | HAD | 179.6° | 179.7° |
| CAI | CAF | SAN | HAF | 180.0° | 180.0° |
| CAF | CAI | CAQ | HAI | 180.0° | 179.9° |
| CAF | CAI | CAQ | CAL | 179.9° | 179.9° |
| CAI | CAF | SAN | CAR | 0.2° | 0.0° |
| CAF | CAI | CAQ | CAR | 0.3° | 0.1° |
| SAN | CAF | CAI | CAQ | 0.4° | 0.1° |
| CAF | SAN | CAR | CAJ | 179.7° | 179.9° |
| CAF | SAN | CAR | CAQ | 0.0° | 0.0° |
| SAN | CAF | CAI | HAI | 179.6° | 180.0° |
| CAG | CAP | CAS | CAH | 1.0° | 0.0° |
| CAP | CAG | CAD | HAD | 179.9° | 179.7° |
| CAH | CAS | CA | HA | 171.9° | 147.1° |
| CAS | CAH | CAE | HAE | 178.9° | 180.0° |
| CAI | CAQ | CAR | CAJ | 179.9° | 179.9° |
| CAI | CAQ | CAL | CAR | 179.7° | 180.0° |
| CAI | CAQ | CAR | SAN | 0.2° | 0.0° |
| CAQ | CAI | CAF | HAF | 179.6° | 180.0° |
| CAI | CAQ | CAL | HAL | 40.3° | 77.7° |
| CAI | CAQ | CAL | HALA | 79.7° | 42.9° |
| CAK | CAJ | CAR | HAJ | 120.0° | 119.7° |
| CAK | CAJ | CAR | HAJA | 120.0° | 119.6° |
| CAK | CAJ | CAR | SAN | 171.2° | 164.4° |
| CAK | CAJ | CAR | CAQ | 8.5° | 15.5° |
| CAK | CAJ | HAJ | HAJA | 121.1° | 120.6° |
| CAJ | CAK | HAK | HAKA | 121.3° | 120.2° |
| CAJ | CAR | CAQ | CAL | 0.4° | 0.1° |
| CAJ | CAR | SAN | CAQ | 179.7° | 179.9° |
| CAR | CAJ | HAJ | HAJA | 121.1° | 120.8° |
| CAR | CAJ | CAK | HAK | 84.8° | 168.7° |
| CAR | CAJ | CAK | HAKA | 155.2° | 71.1° |
| CAL | CAQ | CAR | SAN | 179.9° | 179.9° |
| CAL | CAQ | CAI | HAI | 0.1° | 0.0° |
| CAQ | CAL | HAL | HALA | 122.9° | 120.5° |
| CAR | SAN | CAF | HAF | 179.8° | 180.0° |
| SAN | CAR | CAJ | HAJ | 51.2° | 75.9° |
| SAN | CAR | CAJ | HAJA | 68.8° | 44.8° |
| CAP | CAS | CA | HA | 9.8° | 32.9° |
| CAS | CAP | CAG | HAG | 179.7° | 180.0° |
| CAP | CAS | CAH | HAH | 178.6° | 180.0° |
| CAR | CAQ | CAI | HAI | 179.6° | 180.0° |
| CAQ | CAR | CAJ | HAJ | 128.4° | 104.2° |
| CAQ | CAR | CAJ | HAJA | 111.6° | 135.1° |
| CAR | CAQ | CAL | HAL | 139.4° | 102.4° |
| CAR | CAQ | CAL | HALA | 100.6° | 137.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAD | CAD | CAE | HAE | 0.4° | 0.3° |
| HAD | CAD | CAG | HAG | 0.0° | 0.3° |
| HAE | CAE | CAH | HAH | 1.1° | 0.0° |
| HAF | CAF | CAI | HAI | 0.4° | 0.0° |
| HAJ | CAJ | CAK | HAK | 35.2° | 49.0° |
| HAJ | CAJ | CAK | HAKA | 84.8° | 169.2° |
| HAJA | CAJ | CAK | HAK | 155.2° | 71.6° |
| HAJA | CAJ | CAK | HAKA | 35.2° | 48.6° |
