ESB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OX | CD1 | doub | 1.22Å | 1.24Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | N1 | sing | 1.46Å | 1.50Å | |
| N1 | CE2 | doub | 1.30Å | 1.42Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CG | CD1 | sing | 1.47Å | 1.55Å | |
| CG | CD2 | doub | 1.34Å | 1.38Å | |
| CD1 | CE1 | sing | 1.42Å | 1.52Å | |
| CD2 | CE2 | sing | 1.48Å | 1.40Å | |
| CE1 | CZ | doub | 1.35Å | 1.40Å | |
| CE2 | CZ | sing | 1.48Å | 1.41Å | |
| CZ | OH | sing | 1.35Å | 1.37Å | |
| C2 | H2C | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OX | CD1 | CG | 124.1° | 119.6° |
| OX | CD1 | CE1 | 120.9° | 119.5° |
| C2 | C1 | N1 | 112.0° | 109.5° |
| C1 | C2 | H2C | 109.5° | 109.5° |
| C1 | C2 | H2A | 109.4° | 109.5° |
| C1 | C2 | H2B | 109.5° | 109.5° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C2 | C1 | H1A | 108.1° | 109.4° |
| C1 | N1 | CE2 | 130.6° | 120.0° |
| N1 | C1 | H1 | 108.7° | 109.5° |
| N1 | C1 | H1A | 108.1° | 109.5° |
| N1 | CE2 | CD2 | 120.3° | 120.4° |
| N1 | CE2 | CZ | 118.6° | 120.5° |
| N | CA | C | 114.8° | 109.5° |
| N | CA | CB | 113.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 102.5° | 109.4° |
| C | CA | CB | 108.2° | 109.5° |
| CA | C | O | 122.1° | 120.0° |
| CA | C | OXT | 113.6° | 120.0° |
| C | CA | HA | 108.1° | 109.5° |
| CA | CB | CG | 117.3° | 109.5° |
| CB | CA | HA | 109.8° | 109.5° |
| CA | CB | HB | 106.9° | 109.4° |
| CA | CB | HBA | 105.1° | 109.5° |
| O | C | OXT | 124.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CB | CG | CD1 | 121.4° | 119.8° |
| CB | CG | CD2 | 118.9° | 119.9° |
| CG | CB | HB | 106.9° | 109.4° |
| CG | CB | HBA | 105.1° | 109.5° |
| CD1 | CG | CD2 | 119.7° | 120.3° |
| CG | CD1 | CE1 | 114.9° | 120.8° |
| CG | CD2 | CE2 | 122.7° | 119.4° |
| CG | CD2 | HD2 | 118.7° | 120.3° |
| CD1 | CE1 | CZ | 119.5° | 120.7° |
| CD1 | CE1 | HE1 | 120.2° | 119.6° |
| CD2 | CE2 | CZ | 121.1° | 119.1° |
| CE2 | CD2 | HD2 | 118.6° | 120.3° |
| CE1 | CZ | CE2 | 122.1° | 119.7° |
| CE1 | CZ | OH | 117.0° | 120.2° |
| CZ | CE1 | HE1 | 120.3° | 119.7° |
| CE2 | CZ | OH | 120.9° | 120.1° |
| CZ | OH | HOH | 109.5° | 113.9° |
| H2C | C2 | H2A | 109.5° | 109.5° |
| H2C | C2 | H2B | 109.4° | 109.4° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H1 | C1 | H1A | 111.4° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| HB | CB | HBA | 115.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OX | CD1 | CG | CB | 0.1° | 0.0° |
| OX | CD1 | CG | CE1 | 179.9° | 180.0° |
| OX | CD1 | CG | CD2 | 179.9° | 179.7° |
| OX | CD1 | CE1 | CZ | 180.0° | 180.0° |
| OX | CD1 | CE1 | HE1 | 0.0° | 0.0° |
| C2 | C1 | N1 | H1 | 120.0° | 120.0° |
| C2 | C1 | N1 | H1A | 118.9° | 120.0° |
| C2 | C1 | N1 | CE2 | 114.6° | 114.5° |
| C1 | C2 | H2C | H2A | 120.0° | 120.0° |
| C1 | C2 | H2C | H2B | 120.0° | 120.0° |
| C1 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | C1 | H1 | H1A | 119.0° | 120.0° |
| C1 | N1 | CE2 | CD2 | 0.1° | 6.3° |
| C1 | N1 | CE2 | CZ | 179.8° | 173.7° |
| N1 | C1 | C2 | H2C | 24.3° | 60.0° |
| N1 | C1 | C2 | H2A | 144.3° | 60.0° |
| N1 | C1 | C2 | H2B | 95.6° | 180.0° |
| N1 | C1 | H1 | H1A | 119.0° | 120.0° |
| N1 | CE2 | CD2 | CG | 180.0° | 180.0° |
| N1 | CE2 | CD2 | CZ | 179.9° | 180.0° |
| N1 | CE2 | CZ | CE1 | 179.9° | 179.7° |
| N1 | CE2 | CZ | OH | 0.2° | 0.0° |
| CE2 | N1 | C1 | H1 | 125.4° | 5.6° |
| CE2 | N1 | C1 | H1A | 4.4° | 125.6° |
| N1 | CE2 | CD2 | HD2 | 0.0° | 0.0° |
| N | CA | C | CB | 127.5° | 120.0° |
| N | CA | C | HA | 113.6° | 120.0° |
| N | CA | CB | HA | 113.9° | 120.0° |
| N | CA | C | O | 21.7° | 20.1° |
| N | CA | C | OXT | 157.5° | 160.0° |
| N | CA | CB | CG | 17.5° | 65.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB | 102.5° | 55.0° |
| N | CA | CB | HBA | 133.8° | 175.0° |
| C | CA | CB | HA | 117.7° | 120.0° |
| CA | C | O | OXT | 179.1° | 179.9° |
| C | CA | CB | CG | 145.9° | 175.0° |
| C | CA | N | H | 136.3° | 60.0° |
| C | CA | N | H2 | 16.3° | 176.1° |
| C | CA | CB | HB | 25.9° | 65.0° |
| C | CA | CB | HBA | 97.8° | 55.0° |
| CA | C | OXT | HXT | 179.2° | 180.0° |
| CB | CA | C | O | 105.8° | 99.9° |
| CB | CA | C | OXT | 75.0° | 80.0° |
| CA | CB | CG | HB | 120.0° | 119.9° |
| CA | CB | CG | HBA | 116.3° | 120.0° |
| CA | CB | CG | CD1 | 109.3° | 85.0° |
| CA | CB | CG | CD2 | 70.8° | 94.7° |
| CB | CA | N | H | 98.8° | 60.0° |
| CB | CA | N | H2 | 141.2° | 63.9° |
| CA | CB | HB | HBA | 116.8° | 120.0° |
| O | C | CA | HA | 135.3° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | HA | 43.9° | 40.1° |
| CB | CG | CD1 | CD2 | 179.9° | 179.7° |
| CB | CG | CD1 | CE1 | 180.0° | 180.0° |
| CB | CG | CD2 | CE2 | 180.0° | 180.0° |
| CG | CB | CA | HA | 96.4° | 55.0° |
| CG | CB | HB | HBA | 116.8° | 120.0° |
| CB | CG | CD2 | HD2 | 0.0° | 0.0° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.3° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CD1 | CG | CB | HB | 130.6° | 155.1° |
| CD1 | CG | CB | HBA | 7.0° | 35.0° |
| CD1 | CG | CD2 | HD2 | 179.8° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.3° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CD2 | CG | CB | HB | 49.2° | 25.2° |
| CD2 | CG | CB | HBA | 172.9° | 145.3° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.9° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.3° |
| CD2 | CE2 | CZ | OH | 179.9° | 180.0° |
| CE1 | CZ | CE2 | OH | 179.9° | 179.7° |
| CE1 | CZ | OH | HOH | 91.3° | 0.1° |
| CZ | CE2 | CD2 | HD2 | 179.9° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 179.8° |
| CE2 | CZ | OH | HOH | 88.7° | 179.7° |
| OH | CZ | CE1 | HE1 | 0.1° | 0.0° |
| H2C | C2 | H2A | H2B | 120.0° | 120.0° |
| H2C | C2 | C1 | H1 | 144.3° | 60.0° |
| H2C | C2 | C1 | H1A | 94.6° | 180.0° |
| H2A | C2 | C1 | H1 | 95.7° | 180.0° |
| H2A | C2 | C1 | H1A | 25.4° | 60.0° |
| H2B | C2 | C1 | H1 | 24.4° | 60.0° |
| H2B | C2 | C1 | H1A | 145.4° | 60.0° |
| H | N | CA | HA | 19.4° | 180.0° |
| H2 | N | CA | HA | 100.6° | 56.1° |
| HA | CA | CB | HB | 143.6° | 174.9° |
| HA | CA | CB | HBA | 20.0° | 65.0° |
