DIB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CA | HA2 | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | ND | sing | 1.47Å | 1.52Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| ND | CE1 | sing | 1.47Å | 1.47Å | |
| ND | CE2 | sing | 1.47Å | 1.47Å | |
| CE1 | HE11 | sing | 1.09Å | 1.11Å | |
| CE1 | HE12 | sing | 1.09Å | 1.11Å | |
| CE1 | HE13 | sing | 1.09Å | 1.12Å | |
| CE2 | HE21 | sing | 1.09Å | 1.11Å | |
| CE2 | HE22 | sing | 1.09Å | 1.12Å | |
| CE2 | HE23 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 115.5° | 106.7° |
| CA | N | HN2 | 110.0° | 106.7° |
| N | CA | CB | 115.5° | 109.6° |
| N | CA | HA1 | 110.0° | 109.5° |
| N | CA | HA2 | 110.0° | 109.5° |
| H | N | HN2 | 110.0° | 106.7° |
| CB | CA | HA1 | 110.0° | 109.4° |
| CB | CA | HA2 | 110.0° | 109.4° |
| CA | CB | CG | 113.1° | 109.5° |
| CA | CB | HB1 | 110.9° | 109.4° |
| CA | CB | HB2 | 110.9° | 109.5° |
| HA1 | CA | HA2 | 100.3° | 109.5° |
| CG | CB | HB1 | 110.8° | 109.5° |
| CG | CB | HB2 | 110.9° | 109.5° |
| CB | CG | ND | 116.6° | 109.5° |
| CB | CG | HG1 | 109.6° | 109.5° |
| CB | CG | HG2 | 109.6° | 109.5° |
| HB1 | CB | HB2 | 99.4° | 109.4° |
| ND | CG | HG1 | 109.7° | 109.4° |
| ND | CG | HG2 | 109.7° | 109.5° |
| CG | ND | CE1 | 110.7° | 106.8° |
| CG | ND | CE2 | 111.8° | 106.7° |
| HG1 | CG | HG2 | 100.5° | 109.4° |
| CE1 | ND | CE2 | 112.3° | 106.7° |
| ND | CE1 | HE11 | 110.7° | 109.5° |
| ND | CE1 | HE12 | 111.8° | 109.4° |
| ND | CE1 | HE13 | 111.7° | 109.5° |
| ND | CE2 | HE21 | 111.8° | 109.6° |
| ND | CE2 | HE22 | 111.3° | 109.5° |
| ND | CE2 | HE23 | 111.4° | 109.5° |
| HE11 | CE1 | HE12 | 111.7° | 109.5° |
| HE11 | CE1 | HE13 | 111.7° | 109.5° |
| HE12 | CE1 | HE13 | 98.6° | 109.4° |
| HE21 | CE2 | HE22 | 111.3° | 109.5° |
| HE21 | CE2 | HE23 | 111.4° | 109.4° |
| HE22 | CE2 | HE23 | 99.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | HN2 | 125.3° | 113.7° |
| N | CA | CB | HA1 | 125.3° | 120.0° |
| N | CA | CB | HA2 | 125.2° | 120.0° |
| N | CA | HA1 | HA2 | 115.8° | 120.0° |
| N | CA | CB | CG | 86.9° | 180.0° |
| N | CA | CB | HB1 | 38.3° | 60.0° |
| N | CA | CB | HB2 | 147.8° | 59.9° |
| H | N | CA | CB | 180.0° | 180.0° |
| H | N | CA | HA1 | 54.7° | 60.0° |
| H | N | CA | HA2 | 54.8° | 60.0° |
| HN2 | N | CA | CB | 54.7° | 66.2° |
| HN2 | N | CA | HA1 | 180.0° | 173.8° |
| HN2 | N | CA | HA2 | 70.5° | 53.8° |
| CB | CA | HA1 | HA2 | 115.8° | 119.9° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | HB1 | HB2 | 116.8° | 119.9° |
| CA | CB | CG | ND | 78.8° | 180.0° |
| CA | CB | CG | HG1 | 46.5° | 60.0° |
| CA | CB | CG | HG2 | 155.9° | 60.0° |
| HA1 | CA | CB | CG | 147.8° | 60.0° |
| HA1 | CA | CB | HB1 | 87.0° | 180.0° |
| HA1 | CA | CB | HB2 | 22.6° | 60.1° |
| HA2 | CA | CB | CG | 38.3° | 60.0° |
| HA2 | CA | CB | HB1 | 163.5° | 60.1° |
| HA2 | CA | CB | HB2 | 86.9° | 180.0° |
| CG | CB | HB1 | HB2 | 116.7° | 120.0° |
| CB | CG | ND | HG1 | 125.3° | 120.0° |
| CB | CG | ND | HG2 | 125.2° | 120.1° |
| CB | CG | HG1 | HG2 | 115.4° | 120.0° |
| CB | CG | ND | CE1 | 152.7° | 180.0° |
| CB | CG | ND | CE2 | 26.7° | 66.2° |
| HB1 | CB | CG | ND | 155.9° | 60.0° |
| HB1 | CB | CG | HG1 | 78.8° | 180.0° |
| HB1 | CB | CG | HG2 | 30.6° | 60.0° |
| HB2 | CB | CG | ND | 46.4° | 59.9° |
| HB2 | CB | CG | HG1 | 171.7° | 60.1° |
| HB2 | CB | CG | HG2 | 78.8° | 180.0° |
| ND | CG | HG1 | HG2 | 115.4° | 120.0° |
| CG | ND | CE1 | CE2 | 125.7° | 113.8° |
| CG | ND | CE1 | HE11 | 180.0° | 180.0° |
| CG | ND | CE1 | HE12 | 54.7° | 60.0° |
| CG | ND | CE1 | HE13 | 54.7° | 60.0° |
| CG | ND | CE2 | HE21 | 180.0° | 66.1° |
| CG | ND | CE2 | HE22 | 54.8° | 173.7° |
| CG | ND | CE2 | HE23 | 54.7° | 53.8° |
| HG1 | CG | ND | CE1 | 82.0° | 60.0° |
| HG1 | CG | ND | CE2 | 152.0° | 53.8° |
| HG2 | CG | ND | CE1 | 27.5° | 60.0° |
| HG2 | CG | ND | CE2 | 98.5° | 173.8° |
| ND | CE1 | HE11 | HE12 | 125.3° | 120.0° |
| ND | CE1 | HE11 | HE13 | 125.3° | 120.0° |
| ND | CE1 | HE12 | HE13 | 117.6° | 119.9° |
| CE1 | ND | CE2 | HE21 | 54.8° | 180.0° |
| CE1 | ND | CE2 | HE22 | 70.4° | 59.9° |
| CE1 | ND | CE2 | HE23 | 179.9° | 60.0° |
| CE2 | ND | CE1 | HE11 | 54.2° | 66.2° |
| CE2 | ND | CE1 | HE12 | 179.5° | 173.8° |
| CE2 | ND | CE1 | HE13 | 71.0° | 53.8° |
| ND | CE2 | HE21 | HE22 | 125.2° | 120.1° |
| ND | CE2 | HE21 | HE23 | 125.3° | 120.0° |
| ND | CE2 | HE22 | HE23 | 117.3° | 119.9° |
| HE11 | CE1 | HE12 | HE13 | 117.6° | 120.0° |
| HE21 | CE2 | HE22 | HE23 | 117.3° | 119.9° |
