CKC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| CAK | C | sing | 1.51Å | 1.50Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CAI | NAM | sing | 1.47Å | 1.48Å | |
| CAI | CAG | sing | 1.53Å | 1.53Å | |
| CAH | CAG | sing | 1.53Å | 1.53Å | |
| CAH | CAL | sing | 1.53Å | 1.52Å | |
| CA | CAL | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| NAM | H15 | sing | 1.01Å | 1.00Å | |
| NAM | H16 | sing | 1.01Å | 1.00Å | |
| CAK | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CAK | 118.5° | 120.0° |
| O | C | CA | 119.9° | 120.0° |
| CAK | C | CA | 119.1° | 120.0° |
| C | CAK | H1 | 109.5° | 109.5° |
| C | CAK | H3 | 109.5° | 109.5° |
| C | CAK | H18 | 109.4° | 109.4° |
| C | CA | CAL | 119.1° | 109.5° |
| C | CA | N | 97.0° | 109.4° |
| C | CA | HA | 110.0° | 109.5° |
| NAM | CAI | CAG | 115.2° | 109.4° |
| NAM | CAI | H13 | 108.1° | 109.5° |
| NAM | CAI | H14 | 108.1° | 109.5° |
| CAI | NAM | H15 | 109.5° | 111.0° |
| CAI | NAM | H16 | 109.5° | 111.0° |
| CAI | CAG | CAH | 102.8° | 109.5° |
| CAI | CAG | H11 | 111.1° | 109.5° |
| CAI | CAG | H12 | 111.1° | 109.5° |
| CAG | CAI | H13 | 108.0° | 109.4° |
| CAG | CAI | H14 | 108.0° | 109.5° |
| CAG | CAH | CAL | 112.6° | 109.5° |
| CAG | CAH | H9 | 108.7° | 109.4° |
| CAG | CAH | H10 | 108.7° | 109.5° |
| CAH | CAG | H11 | 111.1° | 109.4° |
| CAH | CAG | H12 | 111.1° | 109.4° |
| CAH | CAL | CA | 111.0° | 109.5° |
| CAH | CAL | H7 | 109.1° | 109.5° |
| CAH | CAL | H8 | 109.1° | 109.5° |
| CAL | CAH | H9 | 108.7° | 109.5° |
| CAL | CAH | H10 | 108.7° | 109.5° |
| CAL | CA | N | 108.8° | 109.4° |
| CAL | CA | HA | 109.9° | 109.5° |
| CA | CAL | H7 | 109.1° | 109.5° |
| CA | CAL | H8 | 109.1° | 109.4° |
| N | CA | HA | 111.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| H1 | CAK | H3 | 109.5° | 109.5° |
| H1 | CAK | H18 | 109.4° | 109.5° |
| H3 | CAK | H18 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H7 | CAL | H8 | 109.4° | 109.5° |
| H9 | CAH | H10 | 109.5° | 109.5° |
| H11 | CAG | H12 | 109.4° | 109.5° |
| H13 | CAI | H14 | 109.4° | 109.5° |
| H15 | NAM | H16 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CAK | CA | 161.8° | 179.9° |
| O | C | CA | CAL | 169.1° | 104.9° |
| O | C | CA | N | 74.9° | 15.0° |
| O | C | CAK | H1 | 0.0° | 180.0° |
| O | C | CAK | H3 | 120.0° | 59.9° |
| O | C | CA | HA | 41.0° | 135.0° |
| O | C | CAK | H18 | 120.0° | 60.1° |
| CAK | C | CA | CAL | 29.3° | 75.0° |
| CAK | C | CA | N | 86.7° | 165.1° |
| C | CAK | H1 | H3 | 120.0° | 120.0° |
| C | CAK | H1 | H18 | 120.0° | 119.9° |
| C | CAK | H3 | H18 | 120.0° | 119.9° |
| CAK | C | CA | HA | 157.4° | 45.1° |
| C | CA | CAL | CAH | 69.4° | 175.0° |
| C | CA | CAL | N | 109.7° | 119.9° |
| C | CA | CAL | HA | 128.2° | 120.1° |
| C | CA | N | HA | 114.7° | 120.0° |
| CA | C | CAK | H1 | 161.8° | 0.1° |
| CA | C | CAK | H3 | 78.1° | 120.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CAL | H7 | 50.8° | 64.9° |
| C | CA | CAL | H8 | 170.3° | 55.0° |
| CA | C | CAK | H18 | 41.9° | 120.0° |
| NAM | CAI | CAG | H13 | 120.9° | 120.0° |
| NAM | CAI | CAG | H14 | 120.9° | 120.0° |
| NAM | CAI | CAG | CAH | 171.9° | 180.0° |
| NAM | CAI | CAG | H11 | 52.9° | 60.0° |
| NAM | CAI | CAG | H12 | 69.2° | 60.0° |
| NAM | CAI | H13 | H14 | 117.4° | 120.1° |
| CAI | NAM | H15 | H16 | 120.0° | 123.9° |
| CAI | CAG | CAH | H11 | 118.9° | 120.0° |
| CAI | CAG | CAH | H12 | 118.9° | 120.0° |
| CAI | CAG | CAH | CAL | 177.1° | 180.0° |
| CAI | CAG | CAH | H9 | 62.4° | 60.0° |
| CAI | CAG | CAH | H10 | 56.6° | 59.9° |
| CAI | CAG | H11 | H12 | 123.1° | 120.1° |
| CAG | CAI | H13 | H14 | 117.4° | 120.0° |
| CAG | CAI | NAM | H15 | 180.0° | 56.0° |
| CAG | CAI | NAM | H16 | 60.0° | 180.0° |
| CAG | CAH | CAL | H9 | 120.5° | 120.0° |
| CAG | CAH | CAL | H10 | 120.5° | 120.0° |
| CAG | CAH | CAL | CA | 163.7° | 179.9° |
| CAG | CAH | CAL | H7 | 76.1° | 60.0° |
| CAG | CAH | CAL | H8 | 43.5° | 60.0° |
| CAG | CAH | H9 | H10 | 118.5° | 120.0° |
| CAH | CAG | H11 | H12 | 123.1° | 120.0° |
| CAH | CAG | CAI | H13 | 67.3° | 60.0° |
| CAH | CAG | CAI | H14 | 51.0° | 60.0° |
| CAH | CAL | CA | H7 | 120.2° | 120.1° |
| CAH | CAL | CA | H8 | 120.3° | 120.0° |
| CAH | CAL | CA | N | 179.1° | 65.1° |
| CAH | CAL | CA | HA | 58.7° | 54.9° |
| CAH | CAL | H7 | H8 | 119.3° | 120.0° |
| CAL | CAH | H9 | H10 | 118.5° | 120.1° |
| CAL | CAH | CAG | H11 | 58.2° | 60.0° |
| CAL | CAH | CAG | H12 | 64.0° | 60.0° |
| CAL | CA | N | HA | 121.2° | 120.0° |
| CAL | CA | N | H | 56.0° | 176.1° |
| CAL | CA | N | H2 | 176.0° | 60.0° |
| CA | CAL | H7 | H8 | 119.3° | 119.9° |
| CA | CAL | CAH | H9 | 43.2° | 60.0° |
| CA | CAL | CAH | H10 | 75.8° | 60.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CAL | H7 | 58.8° | 55.0° |
| N | CA | CAL | H8 | 60.7° | 175.0° |
| H1 | CAK | H3 | H18 | 120.0° | 120.0° |
| HA | CA | N | H | 65.3° | 56.1° |
| HA | CA | N | H2 | 54.7° | 180.0° |
| HA | CA | CAL | H7 | 179.0° | 175.0° |
| HA | CA | CAL | H8 | 61.5° | 65.0° |
| H7 | CAL | CAH | H9 | 163.5° | 180.0° |
| H7 | CAL | CAH | H10 | 44.4° | 60.0° |
| H8 | CAL | CAH | H9 | 77.0° | 59.9° |
| H8 | CAL | CAH | H10 | 163.9° | 180.0° |
| H9 | CAH | CAG | H11 | 178.6° | NaN° |
| H9 | CAH | CAG | H12 | 56.5° | 60.0° |
| H10 | CAH | CAG | H11 | 62.3° | 60.0° |
| H10 | CAH | CAG | H12 | 175.6° | 180.0° |
| H11 | CAG | CAI | H13 | 173.7° | 180.0° |
| H11 | CAG | CAI | H14 | 68.0° | 59.9° |
| H12 | CAG | CAI | H13 | 51.6° | 59.9° |
| H12 | CAG | CAI | H14 | 169.9° | 180.0° |
| H13 | CAI | NAM | H15 | 59.1° | 63.9° |
| H13 | CAI | NAM | H16 | 60.8° | 60.1° |
| H14 | CAI | NAM | H15 | 59.2° | 176.0° |
| H14 | CAI | NAM | H16 | 179.1° | 60.0° |
