ECQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CD2 | doub | 1.21Å | 1.23Å | |
| CD2 | CG | sing | 1.51Å | 1.50Å | |
| CD2 | NAH | sing | 1.34Å | 1.33Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.55Å | 1.54Å | |
| CD1 | CAE | sing | 1.55Å | 1.54Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CAE | NAH | sing | 1.47Å | 1.46Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| NAH | HAH | sing | 0.97Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.53Å | 1.52Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| C | CMK | sing | 1.53Å | 1.53Å | |
| C | HC | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CMK | HMK1 | sing | 1.09Å | 1.10Å | |
| CMK | HMK2 | sing | 1.09Å | 1.10Å | |
| CMK | HMK3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CD2 | CG | 125.7° | 125.0° |
| OAD | CD2 | NAH | 126.2° | 125.0° |
| CG | CD2 | NAH | 108.1° | 110.1° |
| CD2 | CG | CB | 115.1° | 110.5° |
| CD2 | CG | HG | 112.7° | 110.5° |
| CD2 | CG | CD1 | 100.3° | 104.2° |
| CD2 | NAH | CAE | 116.6° | 111.3° |
| CD2 | NAH | HAH | 121.7° | 124.3° |
| CB | CG | HG | 101.8° | 110.4° |
| CB | CG | CD1 | 111.5° | 110.5° |
| CG | CB | CA | 111.4° | 109.4° |
| CG | CB | HB1 | 108.8° | 109.4° |
| CG | CB | HB2 | 108.4° | 109.5° |
| HG | CG | CD1 | 116.2° | 110.6° |
| CG | CD1 | CAE | 106.7° | 101.7° |
| CG | CD1 | HD11 | 110.4° | 111.0° |
| CG | CD1 | HD12 | 111.0° | 111.0° |
| CAE | CD1 | HD11 | 110.4° | 110.9° |
| CAE | CD1 | HD12 | 111.0° | 111.0° |
| CD1 | CAE | NAH | 99.2° | 105.5° |
| CD1 | CAE | HAE1 | 113.1° | 110.2° |
| CD1 | CAE | HAE2 | 115.2° | 110.2° |
| HD11 | CD1 | HD12 | 107.3° | 110.9° |
| NAH | CAE | HAE1 | 113.0° | 110.4° |
| NAH | CAE | HAE2 | 115.2° | 110.0° |
| CAE | NAH | HAH | 121.7° | 124.3° |
| HAE1 | CAE | HAE2 | 101.9° | 110.3° |
| CA | CB | HB1 | 108.8° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CB | CA | N | 109.3° | 109.5° |
| CB | CA | HA | 109.7° | 109.5° |
| CB | CA | C | 107.2° | 109.4° |
| HB1 | CB | HB2 | 111.0° | 109.5° |
| N | CA | HA | 111.7° | 109.5° |
| N | CA | C | 105.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| HA | CA | C | 113.7° | 109.4° |
| CA | C | O | 111.3° | 109.5° |
| CA | C | CMK | 111.9° | 109.4° |
| CA | C | HC | 107.9° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| O | C | CMK | 113.3° | 109.5° |
| O | C | HC | 106.3° | 109.5° |
| C | O | HO | 109.5° | 114.0° |
| CMK | C | HC | 105.6° | 109.5° |
| C | CMK | HMK1 | 109.5° | 109.4° |
| C | CMK | HMK2 | 109.5° | 109.5° |
| C | CMK | HMK3 | 109.5° | 109.4° |
| HMK1 | CMK | HMK2 | 109.5° | 109.5° |
| HMK1 | CMK | HMK3 | 109.5° | 109.5° |
| HMK2 | CMK | HMK3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CD2 | CG | NAH | 179.6° | 179.8° |
| OAD | CD2 | CG | CB | 35.8° | 45.1° |
| OAD | CD2 | CG | HG | 80.3° | 77.4° |
| OAD | CD2 | CG | CD1 | 155.6° | 163.8° |
| OAD | CD2 | NAH | CAE | 169.7° | 179.7° |
| OAD | CD2 | NAH | HAH | 10.3° | 0.4° |
| CD2 | CG | CB | HG | 122.2° | 122.5° |
| CD2 | CG | CB | CD1 | 113.4° | 114.8° |
| CD2 | CG | HG | CD1 | 114.9° | 114.9° |
| CD2 | CG | CD1 | CAE | 30.1° | 24.8° |
| CD2 | CG | CD1 | HD11 | 89.9° | 93.3° |
| CD2 | CG | CD1 | HD12 | 151.2° | 142.9° |
| CG | CD2 | NAH | CAE | 10.6° | 0.0° |
| CG | CD2 | NAH | HAH | 169.3° | 179.8° |
| CD2 | CG | CB | CA | 173.3° | 175.2° |
| CD2 | CG | CB | HB1 | 66.7° | 64.8° |
| CD2 | CG | CB | HB2 | 54.1° | 55.2° |
| NAH | CD2 | CG | CB | 144.5° | 135.2° |
| NAH | CD2 | CG | HG | 99.4° | 102.3° |
| NAH | CD2 | CG | CD1 | 24.8° | 16.5° |
| CD2 | NAH | CAE | CD1 | 8.8° | 16.7° |
| CD2 | NAH | CAE | HAH | 180.0° | 179.9° |
| CD2 | NAH | CAE | HAE1 | 128.8° | 135.7° |
| CD2 | NAH | CAE | HAE2 | 114.7° | 102.2° |
| CB | CG | HG | CD1 | 121.3° | 122.6° |
| CB | CG | CD1 | CAE | 152.4° | 143.5° |
| CB | CG | CD1 | HD11 | 32.4° | 25.4° |
| CB | CG | CD1 | HD12 | 86.5° | 98.4° |
| CG | CB | CA | HB1 | 120.0° | 119.9° |
| CG | CB | CA | HB2 | 119.2° | 120.0° |
| CG | CB | HB1 | HB2 | 119.2° | 120.0° |
| CG | CB | CA | N | 67.7° | 65.5° |
| CG | CB | CA | HA | 55.1° | 54.6° |
| CG | CB | CA | C | 179.0° | 174.5° |
| HG | CG | CD1 | CAE | 91.6° | 93.9° |
| HG | CG | CD1 | HD11 | 148.4° | 148.0° |
| HG | CG | CD1 | HD12 | 29.5° | 24.2° |
| HG | CG | CB | CA | 51.1° | 52.7° |
| HG | CG | CB | HB1 | 171.1° | 172.7° |
| HG | CG | CB | HB2 | 68.1° | 67.3° |
| CG | CD1 | CAE | HD11 | 120.0° | 118.1° |
| CG | CD1 | CAE | HD12 | 121.1° | 118.1° |
| CG | CD1 | HD11 | HD12 | 121.1° | 123.8° |
| CG | CD1 | CAE | NAH | 24.2° | 25.2° |
| CG | CD1 | CAE | HAE1 | 144.1° | 144.4° |
| CG | CD1 | CAE | HAE2 | 99.3° | 93.6° |
| CD1 | CG | CB | CA | 73.3° | 70.0° |
| CD1 | CG | CB | HB1 | 46.6° | 50.0° |
| CD1 | CG | CB | HB2 | 167.4° | 170.0° |
| CAE | CD1 | HD11 | HD12 | 121.1° | 123.8° |
| CD1 | CAE | NAH | HAE1 | 120.0° | 119.1° |
| CD1 | CAE | NAH | HAE2 | 123.5° | 118.9° |
| CD1 | CAE | HAE1 | HAE2 | 124.2° | 122.0° |
| CD1 | CAE | NAH | HAH | 171.2° | 163.2° |
| HD11 | CD1 | CAE | NAH | 95.9° | 92.9° |
| HD11 | CD1 | CAE | HAE1 | 24.1° | 26.3° |
| HD11 | CD1 | CAE | HAE2 | 140.7° | 148.3° |
| HD12 | CD1 | CAE | NAH | 145.2° | 143.3° |
| HD12 | CD1 | CAE | HAE1 | 94.8° | 97.5° |
| HD12 | CD1 | CAE | HAE2 | 21.8° | 24.6° |
| NAH | CAE | HAE1 | HAE2 | 124.2° | 121.9° |
| HAE1 | CAE | NAH | HAH | 51.2° | 44.2° |
| HAE2 | CAE | NAH | HAH | 65.3° | 77.9° |
| CA | CB | HB1 | HB2 | 119.2° | 120.1° |
| CB | CA | N | HA | 121.6° | 120.1° |
| CB | CA | N | C | 114.7° | 119.9° |
| CB | CA | HA | C | 120.0° | 119.9° |
| CB | CA | N | H | 44.6° | 54.1° |
| CB | CA | N | H2 | 75.4° | 69.9° |
| CB | CA | C | O | 86.5° | 60.0° |
| CB | CA | C | CMK | 145.6° | 180.0° |
| CB | CA | C | HC | 29.8° | 60.0° |
| HB1 | CB | CA | N | 172.4° | 174.6° |
| HB1 | CB | CA | HA | 64.9° | 65.3° |
| HB1 | CB | CA | C | 59.0° | 54.6° |
| HB2 | CB | CA | N | 51.5° | 54.5° |
| HB2 | CB | CA | HA | 174.3° | 174.6° |
| HB2 | CB | CA | C | 61.8° | 65.4° |
| N | CA | HA | C | 118.6° | 120.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | O | 157.3° | 180.0° |
| N | CA | C | CMK | 29.4° | 60.0° |
| N | CA | C | HC | 86.4° | 59.9° |
| HA | CA | N | H | 166.2° | 174.2° |
| HA | CA | N | H2 | 46.2° | 50.2° |
| HA | CA | C | O | 34.9° | 60.0° |
| HA | CA | C | CMK | 93.0° | 60.0° |
| HA | CA | C | HC | 151.2° | 180.0° |
| C | CA | N | H | 70.1° | 65.9° |
| C | CA | N | H2 | 169.9° | 170.2° |
| CA | C | O | CMK | 127.1° | 120.0° |
| CA | C | O | HC | 117.3° | 120.0° |
| CA | C | CMK | HC | 117.2° | 120.0° |
| CA | C | O | HO | 169.6° | 180.0° |
| CA | C | CMK | HMK1 | 111.2° | 180.0° |
| CA | C | CMK | HMK2 | 8.8° | 60.0° |
| CA | C | CMK | HMK3 | 128.8° | 60.0° |
| O | C | CMK | HC | 116.0° | 120.0° |
| O | C | CMK | HMK1 | 122.0° | 60.0° |
| O | C | CMK | HMK2 | 118.0° | 180.0° |
| O | C | CMK | HMK3 | 2.0° | 60.0° |
| CMK | C | O | HO | 42.5° | 60.0° |
| C | CMK | HMK1 | HMK2 | 120.0° | 120.0° |
| C | CMK | HMK1 | HMK3 | 120.0° | 120.0° |
| C | CMK | HMK2 | HMK3 | 120.0° | 120.0° |
| HC | C | O | HO | 73.2° | 60.0° |
| HC | C | CMK | HMK1 | 6.0° | 60.0° |
| HC | C | CMK | HMK2 | 126.0° | 60.0° |
| HC | C | CMK | HMK3 | 114.0° | 180.0° |
| HMK1 | CMK | HMK2 | HMK3 | 120.0° | 120.1° |
