CR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.22Å | |
| CA3 | C3 | sing | 1.51Å | 1.48Å | |
| CA3 | N3 | sing | 1.46Å | 1.48Å | |
| C3 | OXT | sing | 1.34Å | 1.33Å | |
| N1 | CA1 | sing | 1.47Å | 1.47Å | |
| O2 | C2 | doub | 1.22Å | 1.20Å | |
| N3 | C2 | sing | 1.35Å | 1.36Å | |
| N3 | C1 | sing | 1.37Å | 1.36Å | |
| C2 | CA2 | sing | 1.47Å | 1.49Å | |
| CA1 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | N2 | doub | 1.30Å | 1.41Å | |
| CA2 | N2 | sing | 1.37Å | 1.43Å | |
| CA2 | CB2 | doub | 1.38Å | 1.35Å | |
| CB2 | CG2 | sing | 1.47Å | 1.49Å | |
| CG2 | CD2 | doub | 1.40Å | 1.48Å | Aromatic |
| CG2 | CD1 | sing | 1.40Å | 1.44Å | Aromatic |
| CD2 | CE2 | sing | 1.37Å | 1.43Å | Aromatic |
| CD1 | CE1 | doub | 1.37Å | 1.46Å | Aromatic |
| CE2 | CZ | doub | 1.39Å | 1.41Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.46Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.48Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CA1 | HA12 | sing | 1.09Å | 1.10Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | 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) |
| O3 | C3 | CA3 | 118.6° | 120.0° |
| O3 | C3 | OXT | 124.1° | 120.0° |
| C3 | CA3 | N3 | 119.6° | 109.5° |
| CA3 | C3 | OXT | 117.3° | 120.0° |
| C3 | CA3 | HA31 | 106.3° | 109.5° |
| C3 | CA3 | HA32 | 103.9° | 109.5° |
| CA3 | N3 | C2 | 121.9° | 125.8° |
| CA3 | N3 | C1 | 124.1° | 125.8° |
| N3 | CA3 | HA31 | 106.2° | 109.5° |
| N3 | CA3 | HA32 | 103.9° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| N1 | CA1 | C1 | 102.4° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.1° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | HA1 | 111.9° | 109.4° |
| N1 | CA1 | HA12 | 113.3° | 109.5° |
| O2 | C2 | N3 | 131.0° | 127.4° |
| O2 | C2 | CA2 | 126.1° | 127.3° |
| C2 | N3 | C1 | 114.0° | 108.4° |
| N3 | C2 | CA2 | 102.9° | 105.2° |
| N3 | C1 | CA1 | 124.0° | 124.3° |
| N3 | C1 | N2 | 109.0° | 111.3° |
| C2 | CA2 | N2 | 108.7° | 105.7° |
| C2 | CA2 | CB2 | 122.5° | 127.1° |
| CA1 | C1 | N2 | 126.9° | 124.3° |
| C1 | CA1 | HA1 | 111.9° | 109.5° |
| C1 | CA1 | HA12 | 113.4° | 109.5° |
| C1 | N2 | CA2 | 105.3° | 109.3° |
| N2 | CA2 | CB2 | 128.8° | 127.2° |
| CA2 | CB2 | CG2 | 131.5° | 120.0° |
| CA2 | CB2 | HB2 | 114.3° | 120.0° |
| CB2 | CG2 | CD2 | 115.6° | 120.1° |
| CB2 | CG2 | CD1 | 124.4° | 120.1° |
| CG2 | CB2 | HB2 | 114.3° | 120.0° |
| CD2 | CG2 | CD1 | 120.0° | 119.7° |
| CG2 | CD2 | CE2 | 120.2° | 119.8° |
| CG2 | CD2 | HD2 | 119.9° | 120.0° |
| CG2 | CD1 | CE1 | 118.9° | 119.9° |
| CG2 | CD1 | HD1 | 120.5° | 120.1° |
| CD2 | CE2 | CZ | 120.1° | 120.1° |
| CE2 | CD2 | HD2 | 119.9° | 120.1° |
| CD2 | CE2 | HE2 | 120.0° | 119.9° |
| CD1 | CE1 | CZ | 119.6° | 120.1° |
| CE1 | CD1 | HD1 | 120.5° | 120.1° |
| CD1 | CE1 | HE1 | 120.2° | 119.9° |
| CE2 | CZ | CE1 | 121.1° | 120.3° |
| CE2 | CZ | OH | 118.9° | 119.9° |
| CZ | CE2 | HE2 | 120.0° | 119.9° |
| CE1 | CZ | OH | 120.0° | 119.8° |
| CZ | CE1 | HE1 | 120.2° | 120.0° |
| CZ | OH | HOH | 109.5° | 114.0° |
| H | N1 | H2 | 109.5° | 111.0° |
| HA1 | CA1 | HA12 | 104.2° | 109.5° |
| HA31 | CA3 | HA32 | 117.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | CA3 | OXT | 179.5° | 180.0° |
| O3 | C3 | CA3 | N3 | 156.1° | 0.0° |
| O3 | C3 | CA3 | HA31 | 83.9° | 120.0° |
| O3 | C3 | CA3 | HA32 | 41.0° | 120.1° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| C3 | CA3 | N3 | HA31 | 120.0° | 120.0° |
| C3 | CA3 | N3 | HA32 | 115.1° | 120.0° |
| C3 | CA3 | N3 | C2 | 88.8° | 89.9° |
| C3 | CA3 | N3 | C1 | 93.1° | 90.1° |
| C3 | CA3 | HA31 | HA32 | 115.9° | 119.9° |
| CA3 | C3 | OXT | HXT | 179.4° | 180.0° |
| N3 | CA3 | C3 | OXT | 23.3° | 180.0° |
| CA3 | N3 | C2 | O2 | 0.9° | 0.1° |
| CA3 | N3 | C2 | C1 | 178.3° | 180.0° |
| CA3 | N3 | C2 | CA2 | 177.7° | 179.9° |
| CA3 | N3 | C1 | CA1 | 1.5° | 0.0° |
| CA3 | N3 | C1 | N2 | 177.9° | 179.8° |
| N3 | CA3 | HA31 | HA32 | 115.8° | 120.0° |
| OXT | C3 | CA3 | HA31 | 96.6° | 60.0° |
| OXT | C3 | CA3 | HA32 | 138.4° | 59.9° |
| N1 | CA1 | C1 | N3 | 76.6° | 179.8° |
| N1 | CA1 | C1 | HA1 | 120.0° | 119.9° |
| N1 | CA1 | C1 | HA12 | 122.5° | 120.0° |
| N1 | CA1 | C1 | N2 | 102.7° | 0.0° |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | CA1 | HA1 | HA12 | 122.8° | 120.0° |
| O2 | C2 | N3 | CA2 | 178.6° | 179.9° |
| O2 | C2 | N3 | C1 | 179.2° | 180.0° |
| O2 | C2 | CA2 | N2 | 179.3° | 179.8° |
| O2 | C2 | CA2 | CB2 | 0.3° | 0.1° |
| C2 | N3 | C1 | CA1 | 179.7° | 180.0° |
| C2 | N3 | C1 | N2 | 0.3° | 0.2° |
| N3 | C2 | CA2 | N2 | 0.6° | 0.0° |
| N3 | C2 | CA2 | CB2 | 178.4° | 180.0° |
| C2 | N3 | CA3 | HA31 | 151.2° | 150.0° |
| C2 | N3 | CA3 | HA32 | 26.3° | 30.1° |
| C1 | N3 | C2 | CA2 | 0.6° | 0.1° |
| N3 | C1 | CA1 | N2 | 179.3° | 179.8° |
| N3 | C1 | N2 | CA2 | 0.1° | 0.2° |
| N3 | C1 | CA1 | HA1 | 43.4° | 59.8° |
| N3 | C1 | CA1 | HA12 | 160.9° | 60.2° |
| C1 | N3 | CA3 | HA31 | 26.9° | 29.9° |
| C1 | N3 | CA3 | HA32 | 151.8° | 149.9° |
| C2 | CA2 | N2 | C1 | 0.5° | 0.2° |
| C2 | CA2 | N2 | CB2 | 178.9° | 180.0° |
| C2 | CA2 | CB2 | CG2 | 178.0° | 174.8° |
| C2 | CA2 | CB2 | HB2 | 2.0° | 5.2° |
| CA1 | C1 | N2 | CA2 | 179.3° | 180.0° |
| C1 | CA1 | N1 | H | 91.0° | 180.0° |
| C1 | CA1 | N1 | H2 | 29.1° | 56.0° |
| C1 | CA1 | HA1 | HA12 | 122.9° | 120.0° |
| C1 | N2 | CA2 | CB2 | 178.4° | 179.9° |
| N2 | C1 | CA1 | HA1 | 137.3° | 120.0° |
| N2 | C1 | CA1 | HA12 | 19.8° | 120.0° |
| N2 | CA2 | CB2 | CG2 | 0.8° | 5.2° |
| N2 | CA2 | CB2 | HB2 | 179.2° | 174.8° |
| CA2 | CB2 | CG2 | HB2 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD2 | 179.1° | 6.0° |
| CA2 | CB2 | CG2 | CD1 | 0.4° | 173.7° |
| CB2 | CG2 | CD2 | CD1 | 179.5° | 179.7° |
| CB2 | CG2 | CD2 | CE2 | 179.5° | 180.0° |
| CB2 | CG2 | CD1 | CE1 | 179.5° | 180.0° |
| CB2 | CG2 | CD1 | HD1 | 0.5° | 0.0° |
| CB2 | CG2 | CD2 | HD2 | 0.5° | 0.1° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CD2 | CG2 | CD1 | CE1 | 0.0° | 0.3° |
| CG2 | CD2 | CE2 | CZ | 0.0° | 0.0° |
| CD2 | CG2 | CB2 | HB2 | 0.9° | 174.0° |
| CD2 | CG2 | CD1 | HD1 | 180.0° | 179.8° |
| CG2 | CD2 | CE2 | HE2 | 179.9° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 0.0° | 0.3° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG2 | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CD1 | CG2 | CB2 | HB2 | 179.6° | 6.3° |
| CD1 | CG2 | CD2 | HD2 | 179.9° | 179.7° |
| CG2 | CD1 | CE1 | HE1 | 179.8° | 179.9° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.3° |
| CD2 | CE2 | CZ | OH | 179.9° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.3° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | OH | 180.0° | 180.0° |
| CE2 | CZ | CE1 | OH | 179.8° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.8° | 179.7° |
| CE2 | CZ | OH | HOH | 99.8° | 89.7° |
| CZ | CE1 | CD1 | HD1 | 179.9° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 179.7° |
| CE1 | CZ | OH | HOH | 80.4° | 90.0° |
| OH | CZ | CE1 | HE1 | 0.0° | 0.0° |
| OH | CZ | CE2 | HE2 | 0.1° | 0.0° |
| H | N1 | CA1 | HA1 | 29.0° | 60.0° |
| H | N1 | CA1 | HA12 | 146.5° | 60.0° |
| H2 | N1 | CA1 | HA1 | 149.1° | 63.9° |
| H2 | N1 | CA1 | HA12 | 93.5° | 176.1° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.1° |
