CGA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.41Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O2 | sing | 1.34Å | 1.41Å | |
| C2 | OE2 | sing | 1.45Å | 1.50Å | |
| OE2 | CD | sing | 1.34Å | 1.20Å | |
| CD | OE1 | doub | 1.21Å | 1.24Å | |
| CD | CG | sing | 1.51Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.49Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 53.95Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 111.9° | 120.0° |
| O1 | C1 | O2 | 122.8° | 120.0° |
| C2 | C1 | O2 | 125.3° | 120.0° |
| C1 | C2 | OE2 | 106.4° | 109.5° |
| C1 | C2 | H10 | 110.2° | 109.5° |
| C1 | C2 | H11 | 110.2° | 109.5° |
| C1 | O2 | H12 | 109.5° | 117.0° |
| C2 | OE2 | CD | 117.7° | 117.0° |
| OE2 | C2 | H10 | 110.2° | 109.5° |
| OE2 | C2 | H11 | 110.2° | 109.5° |
| OE2 | CD | OE1 | 124.8° | 120.0° |
| OE2 | CD | CG | 125.9° | 120.0° |
| OE1 | CD | CG | 109.3° | 120.0° |
| CD | CG | CB | 112.0° | 109.5° |
| CD | CG | H8 | 108.9° | 109.5° |
| CD | CG | H9 | 108.8° | 109.5° |
| CG | CB | CA | 114.6° | 109.5° |
| CG | CB | H6 | 108.2° | 109.5° |
| CG | CB | H7 | 108.2° | 109.4° |
| CB | CG | H8 | 108.8° | 109.5° |
| CB | CG | H9 | 108.9° | 109.4° |
| CB | CA | N | 110.0° | 109.5° |
| CB | CA | C | 110.6° | 109.5° |
| CB | CA | HA | 109.3° | 109.5° |
| CA | CB | H6 | 108.2° | 109.5° |
| CA | CB | H7 | 108.2° | 109.5° |
| N | CA | C | 108.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 109.5° | 109.4° |
| CA | C | O | 121.5° | 120.0° |
| C | CA | HA | 108.7° | 109.5° |
| CA | C | OXT | 135.0° | 120.0° |
| O | C | OXT | 59.1° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.4° |
| H8 | CG | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 180.0° | 180.0° |
| O1 | C1 | C2 | OE2 | 165.7° | 0.0° |
| O1 | C1 | C2 | H10 | 74.7° | 120.0° |
| O1 | C1 | C2 | H11 | 46.2° | 120.0° |
| O1 | C1 | O2 | H12 | 0.0° | 0.0° |
| C1 | C2 | OE2 | H10 | 119.5° | 120.0° |
| C1 | C2 | OE2 | H11 | 119.5° | 120.0° |
| C1 | C2 | OE2 | CD | 81.1° | 180.0° |
| C1 | C2 | H10 | H11 | 121.4° | 120.0° |
| C2 | C1 | O2 | H12 | 180.0° | 180.0° |
| O2 | C1 | C2 | OE2 | 14.3° | 180.0° |
| O2 | C1 | C2 | H10 | 105.2° | 60.0° |
| O2 | C1 | C2 | H11 | 133.8° | 60.0° |
| C2 | OE2 | CD | OE1 | 2.5° | 0.0° |
| C2 | OE2 | CD | CG | 179.8° | 180.0° |
| OE2 | C2 | H10 | H11 | 121.4° | 120.0° |
| OE2 | CD | OE1 | CG | 178.1° | 180.0° |
| OE2 | CD | CG | CB | 142.4° | 180.0° |
| OE2 | CD | CG | H8 | 97.2° | 60.1° |
| OE2 | CD | CG | H9 | 22.1° | 60.0° |
| CD | OE2 | C2 | H10 | 159.4° | 60.0° |
| CD | OE2 | C2 | H11 | 38.4° | 60.0° |
| OE1 | CD | CG | CB | 35.6° | 0.0° |
| OE1 | CD | CG | H8 | 84.8° | 120.0° |
| OE1 | CD | CG | H9 | 156.0° | 120.0° |
| CD | CG | CB | H8 | 120.4° | 120.0° |
| CD | CG | CB | H9 | 120.4° | 120.0° |
| CD | CG | CB | CA | 174.8° | 180.0° |
| CD | CG | CB | H6 | 64.4° | 60.0° |
| CD | CG | CB | H7 | 54.1° | 60.0° |
| CD | CG | H8 | H9 | 118.8° | 120.0° |
| CG | CB | CA | H6 | 120.8° | 120.0° |
| CG | CB | CA | H7 | 120.8° | 120.0° |
| CG | CB | CA | N | 51.2° | 65.0° |
| CG | CB | CA | C | 68.9° | 175.0° |
| CG | CB | CA | HA | 171.4° | 55.0° |
| CG | CB | H6 | H7 | 117.7° | 119.9° |
| CB | CG | H8 | H9 | 118.9° | 120.0° |
| CB | CA | N | C | 121.3° | 120.0° |
| CB | CA | N | HA | 120.1° | 120.0° |
| CB | CA | C | HA | 120.0° | 120.0° |
| CB | CA | C | O | 85.5° | 100.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H6 | H7 | 117.6° | 120.0° |
| CA | CB | CG | H8 | 54.4° | 60.0° |
| CA | CB | CG | H9 | 64.8° | 60.0° |
| CB | CA | C | OXT | 9.2° | 80.0° |
| N | CA | C | HA | 119.1° | 120.0° |
| N | CA | C | O | 35.4° | 20.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 69.6° | 55.0° |
| N | CA | CB | H7 | 172.0° | 175.0° |
| N | CA | C | OXT | 111.6° | 159.9° |
| CA | C | O | OXT | 126.9° | 180.0° |
| C | CA | N | H | 58.7° | 63.9° |
| C | CA | N | H2 | 61.3° | 60.1° |
| C | CA | CB | H6 | 170.3° | 65.0° |
| C | CA | CB | H7 | 51.8° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | HA | 154.5° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| H | N | CA | HA | 59.9° | 56.0° |
| H2 | N | CA | HA | 179.9° | 180.0° |
| HA | CA | CB | H6 | 50.6° | 175.0° |
| HA | CA | CB | H7 | 67.8° | 65.0° |
| HA | CA | C | OXT | 129.3° | 40.0° |
| H6 | CB | CG | H8 | 175.2° | 180.0° |
| H6 | CB | CG | H9 | 56.0° | 60.1° |
| H7 | CB | CG | H8 | 66.3° | 60.0° |
| H7 | CB | CG | H9 | 174.4° | 180.0° |
