PRD_000432
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.50Å | |
| O1 | C6 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.47Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | N4 | sing | 1.47Å | 1.48Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | C5 | sing | 1.47Å | 1.39Å | |
| N4 | C | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C1 | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C1 | O2 | doub | 1.21Å | 1.26Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.37Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.37Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| N1 | CA1 | sing | 1.46Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | CB1 | sing | 1.53Å | 1.54Å | |
| CA1 | C4 | sing | 1.51Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | SG | sing | 1.81Å | 1.79Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| SG | CS | sing | 1.81Å | 1.84Å | |
| CS | HCS1 | sing | 1.09Å | 1.10Å | |
| CS | HCS2 | sing | 1.09Å | 1.10Å | |
| CS | HCS3 | sing | 1.09Å | 1.10Å | |
| C4 | O3 | doub | 1.21Å | 1.23Å | |
| N2 | CA2 | sing | 1.46Å | 1.45Å | |
| N2 | HN1 | sing | 0.97Å | 1.00Å | |
| CA2 | CB2 | sing | 1.53Å | 1.55Å | |
| CA2 | CH | sing | 1.53Å | 1.54Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | CG1 | sing | 1.53Å | 1.56Å | |
| CB2 | HB1 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CG1 | CD11 | sing | 1.53Å | 1.54Å | |
| CG1 | CD21 | sing | 1.53Å | 1.50Å | |
| CG1 | HG | sing | 1.09Å | 1.10Å | |
| CD11 | CE11 | sing | 1.53Å | 1.53Å | |
| CD11 | HD11 | sing | 1.09Å | 1.10Å | |
| CD11 | HD12 | sing | 1.09Å | 1.10Å | |
| CD21 | CE21 | sing | 1.53Å | 1.56Å | |
| CD21 | HD21 | sing | 1.09Å | 1.10Å | |
| CD21 | HD22 | sing | 1.09Å | 1.10Å | |
| CE11 | CZ1 | sing | 1.53Å | 1.49Å | |
| CE11 | HE11 | sing | 1.09Å | 1.10Å | |
| CE11 | HE12 | sing | 1.09Å | 1.10Å | |
| CE21 | CZ1 | sing | 1.53Å | 1.52Å | |
| CE21 | HE21 | sing | 1.09Å | 1.10Å | |
| CE21 | HE22 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ1 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ2 | sing | 1.09Å | 1.10Å | |
| CH | OH | sing | 1.43Å | 1.43Å | |
| CH | C7 | sing | 1.51Å | 1.52Å | |
| CH | HC | sing | 1.09Å | 1.10Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| C7 | O11 | doub | 1.21Å | 1.24Å | |
| C7 | O21 | sing | 1.34Å | 1.34Å | |
| O21 | CM | sing | 1.45Å | 1.48Å | |
| CM | CM1 | sing | 1.53Å | 1.50Å | |
| CM | CM2 | sing | 1.53Å | 1.54Å | |
| CM | HM | sing | 1.09Å | 1.10Å | |
| CM1 | HM11 | sing | 1.09Å | 1.10Å | |
| CM1 | HM12 | sing | 1.09Å | 1.10Å | |
| CM1 | HM13 | sing | 1.09Å | 1.10Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| C | N | sing | 1.35Å | 1.37Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C6 | 105.9° | 114.1° |
| O1 | C2 | C3 | 109.4° | 109.2° |
| O1 | C2 | H21 | 109.5° | 109.5° |
| O1 | C2 | H22 | 109.5° | 109.5° |
| O1 | C6 | C5 | 111.4° | 109.2° |
| O1 | C6 | H61 | 108.8° | 109.5° |
| O1 | C6 | H62 | 108.4° | 109.5° |
| C3 | C2 | H21 | 109.5° | 109.6° |
| C3 | C2 | H22 | 109.5° | 109.5° |
| C2 | C3 | N4 | 110.8° | 108.4° |
| C2 | C3 | H31 | 109.0° | 109.6° |
| C2 | C3 | H32 | 108.7° | 109.7° |
| H21 | C2 | H22 | 109.4° | 109.5° |
| N4 | C3 | H31 | 109.0° | 109.7° |
| N4 | C3 | H32 | 108.7° | 109.7° |
| C3 | N4 | C5 | 115.4° | 118.0° |
| C3 | N4 | C | 122.6° | 121.0° |
| H31 | C3 | H32 | 110.5° | 109.7° |
| C5 | N4 | C | 120.1° | 121.0° |
| N4 | C5 | C6 | 110.3° | 108.4° |
| N4 | C5 | H51 | 109.2° | 109.7° |
| N4 | C5 | H52 | 109.0° | 109.7° |
| N4 | C | O | 120.9° | 120.0° |
| N4 | C | N | 118.3° | 120.0° |
| C6 | C5 | H51 | 109.2° | 109.7° |
| C6 | C5 | H52 | 109.0° | 109.7° |
| C5 | C6 | H61 | 108.8° | 109.5° |
| C5 | C6 | H62 | 108.4° | 109.5° |
| H51 | C5 | H52 | 110.1° | 109.7° |
| H61 | C6 | H62 | 111.0° | 109.5° |
| O | C | N | 120.5° | 120.0° |
| CA | N | H | 120.3° | 120.0° |
| N | CA | C1 | 110.2° | 109.5° |
| N | CA | CB | 110.9° | 109.5° |
| N | CA | HA | 107.7° | 109.4° |
| CA | N | C | 119.3° | 120.0° |
| H | N | C | 120.3° | 119.9° |
| C1 | CA | CB | 108.6° | 109.5° |
| C1 | CA | HA | 110.1° | 109.5° |
| CA | C1 | O2 | 122.1° | 119.9° |
| CA | C1 | N1 | 115.7° | 120.0° |
| CB | CA | HA | 109.3° | 109.4° |
| CA | CB | CG | 112.8° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.4° |
| CA | CB | HB3 | 107.6° | 109.5° |
| O2 | C1 | N1 | 122.2° | 120.0° |
| CG | CB | HB2 | 108.4° | 109.5° |
| CG | CB | HB3 | 107.6° | 109.5° |
| CB | CG | CD1 | 122.2° | 120.0° |
| CB | CG | CD2 | 120.6° | 120.0° |
| HB2 | CB | HB3 | 112.1° | 109.5° |
| CD1 | CG | CD2 | 117.2° | 120.0° |
| CG | CD1 | CE1 | 122.1° | 120.0° |
| CG | CD1 | HD1 | 119.0° | 120.0° |
| CG | CD2 | CE2 | 121.4° | 120.0° |
| CG | CD2 | HD2 | 119.3° | 120.0° |
| CE1 | CD1 | HD1 | 119.0° | 119.9° |
| CD1 | CE1 | CZ | 119.4° | 120.0° |
| CD1 | CE1 | HE1 | 120.3° | 120.1° |
| CE2 | CD2 | HD2 | 119.3° | 120.0° |
| CD2 | CE2 | CZ | 120.4° | 120.0° |
| CD2 | CE2 | HE2 | 119.8° | 120.0° |
| CZ | CE1 | HE1 | 120.3° | 120.0° |
| CE1 | CZ | CE2 | 119.3° | 120.0° |
| CE1 | CZ | HZ | 120.3° | 120.0° |
| CZ | CE2 | HE2 | 119.8° | 120.0° |
| CE2 | CZ | HZ | 120.3° | 120.0° |
| CA1 | N1 | H1 | 119.7° | 120.0° |
| N1 | CA1 | CB1 | 106.6° | 109.5° |
| N1 | CA1 | C4 | 108.3° | 109.5° |
| N1 | CA1 | HA1 | 113.2° | 109.4° |
| CA1 | N1 | C1 | 120.7° | 120.0° |
| H1 | N1 | C1 | 119.7° | 120.0° |
| CB1 | CA1 | C4 | 112.6° | 109.5° |
| CB1 | CA1 | HA1 | 108.9° | 109.5° |
| CA1 | CB1 | SG | 107.2° | 109.5° |
| CA1 | CB1 | HB21 | 110.2° | 109.4° |
| CA1 | CB1 | HB31 | 110.7° | 109.5° |
| C4 | CA1 | HA1 | 107.3° | 109.5° |
| CA1 | C4 | O3 | 120.4° | 120.0° |
| CA1 | C4 | N2 | 115.9° | 120.0° |
| SG | CB1 | HB21 | 110.3° | 109.5° |
| SG | CB1 | HB31 | 110.7° | 109.5° |
| CB1 | SG | CS | 107.3° | 103.0° |
| HB21 | CB1 | HB31 | 107.7° | 109.5° |
| SG | CS | HCS1 | 109.5° | 109.5° |
| SG | CS | HCS2 | 109.5° | 109.5° |
| SG | CS | HCS3 | 109.5° | 109.5° |
| HCS1 | CS | HCS2 | 109.4° | 109.4° |
| HCS1 | CS | HCS3 | 109.5° | 109.5° |
| HCS2 | CS | HCS3 | 109.5° | 109.4° |
| O3 | C4 | N2 | 123.6° | 120.0° |
| CA2 | N2 | HN1 | 118.0° | 120.0° |
| N2 | CA2 | CB2 | 111.3° | 109.5° |
| N2 | CA2 | CH | 111.3° | 109.5° |
| N2 | CA2 | HA2 | 106.6° | 109.5° |
| CA2 | N2 | C4 | 124.0° | 120.0° |
| HN1 | N2 | C4 | 118.0° | 120.0° |
| CB2 | CA2 | CH | 108.6° | 109.4° |
| CB2 | CA2 | HA2 | 109.4° | 109.5° |
| CA2 | CB2 | CG1 | 113.0° | 109.4° |
| CA2 | CB2 | HB1 | 108.3° | 109.5° |
| CA2 | CB2 | HB22 | 107.5° | 109.5° |
| CH | CA2 | HA2 | 109.5° | 109.5° |
| CA2 | CH | OH | 111.5° | 109.5° |
| CA2 | CH | C7 | 108.1° | 109.5° |
| CA2 | CH | HC | 109.3° | 109.5° |
| CG1 | CB2 | HB1 | 108.3° | 109.4° |
| CG1 | CB2 | HB22 | 107.5° | 109.4° |
| CB2 | CG1 | CD11 | 107.7° | 109.5° |
| CB2 | CG1 | CD21 | 111.5° | 109.5° |
| CB2 | CG1 | HG | 109.2° | 109.5° |
| HB1 | CB2 | HB22 | 112.3° | 109.5° |
| CD11 | CG1 | CD21 | 109.2° | 109.5° |
| CD11 | CG1 | HG | 111.5° | 109.5° |
| CG1 | CD11 | CE11 | 112.2° | 109.5° |
| CG1 | CD11 | HD11 | 108.6° | 109.5° |
| CG1 | CD11 | HD12 | 108.0° | 109.5° |
| CD21 | CG1 | HG | 107.7° | 109.4° |
| CG1 | CD21 | CE21 | 110.3° | 109.5° |
| CG1 | CD21 | HD21 | 109.2° | 109.5° |
| CG1 | CD21 | HD22 | 109.0° | 109.5° |
| CE11 | CD11 | HD11 | 108.6° | 109.4° |
| CE11 | CD11 | HD12 | 108.0° | 109.5° |
| CD11 | CE11 | CZ1 | 109.5° | 109.4° |
| CD11 | CE11 | HE11 | 109.5° | 109.5° |
| CD11 | CE11 | HE12 | 109.4° | 109.5° |
| HD11 | CD11 | HD12 | 111.6° | 109.5° |
| CE21 | CD21 | HD21 | 109.2° | 109.4° |
| CE21 | CD21 | HD22 | 109.0° | 109.5° |
| CD21 | CE21 | CZ1 | 111.6° | 109.5° |
| CD21 | CE21 | HE21 | 108.7° | 109.5° |
| CD21 | CE21 | HE22 | 108.3° | 109.5° |
| HD21 | CD21 | HD22 | 110.1° | 109.4° |
| CZ1 | CE11 | HE11 | 109.4° | 109.5° |
| CZ1 | CE11 | HE12 | 109.4° | 109.5° |
| CE11 | CZ1 | CE21 | 112.0° | 109.5° |
| CE11 | CZ1 | HZ1 | 108.6° | 109.4° |
| CE11 | CZ1 | HZ2 | 108.1° | 109.5° |
| HE11 | CE11 | HE12 | 109.5° | 109.5° |
| CZ1 | CE21 | HE21 | 108.8° | 109.5° |
| CZ1 | CE21 | HE22 | 108.3° | 109.5° |
| CE21 | CZ1 | HZ1 | 108.6° | 109.5° |
| CE21 | CZ1 | HZ2 | 108.0° | 109.5° |
| HE21 | CE21 | HE22 | 111.2° | 109.4° |
| HZ1 | CZ1 | HZ2 | 111.5° | 109.5° |
| OH | CH | C7 | 110.3° | 109.5° |
| OH | CH | HC | 107.1° | 109.5° |
| CH | OH | HH | 109.5° | 114.0° |
| C7 | CH | HC | 110.6° | 109.4° |
| CH | C7 | O11 | 122.4° | 120.0° |
| CH | C7 | O21 | 114.3° | 120.0° |
| O11 | C7 | O21 | 123.2° | 120.0° |
| C7 | O21 | CM | 117.7° | 117.0° |
| O21 | CM | CM1 | 107.1° | 109.5° |
| O21 | CM | CM2 | 105.1° | 109.5° |
| O21 | CM | HM | 114.2° | 109.5° |
| CM1 | CM | CM2 | 110.8° | 109.5° |
| CM1 | CM | HM | 108.8° | 109.4° |
| CM | CM1 | HM11 | 109.5° | 109.4° |
| CM | CM1 | HM12 | 109.5° | 109.5° |
| CM | CM1 | HM13 | 109.5° | 109.5° |
| CM2 | CM | HM | 110.7° | 109.5° |
| CM | CM2 | HM21 | 109.5° | 109.5° |
| CM | CM2 | HM22 | 109.5° | 109.4° |
| CM | CM2 | HM23 | 109.5° | 109.4° |
| HM11 | CM1 | HM12 | 109.4° | 109.5° |
| HM11 | CM1 | HM13 | 109.5° | 109.4° |
| HM12 | CM1 | HM13 | 109.5° | 109.5° |
| HM21 | CM2 | HM22 | 109.5° | 109.5° |
| HM21 | CM2 | HM23 | 109.5° | 109.5° |
| HM22 | CM2 | HM23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H21 | 120.0° | 119.9° |
| O1 | C2 | C3 | H22 | 120.0° | 119.9° |
| O1 | C2 | H21 | H22 | 120.1° | 120.1° |
| O1 | C2 | C3 | N4 | 55.1° | 52.3° |
| O1 | C2 | C3 | H31 | 64.9° | 172.0° |
| O1 | C2 | C3 | H32 | 174.6° | 67.4° |
| C2 | O1 | C6 | C5 | 64.7° | 62.6° |
| C2 | O1 | C6 | H61 | 55.3° | 177.5° |
| C2 | O1 | C6 | H62 | 176.1° | 57.4° |
| C6 | O1 | C2 | C3 | 63.6° | 62.6° |
| C6 | O1 | C2 | H21 | 176.4° | 57.4° |
| C6 | O1 | C2 | H22 | 56.4° | 177.5° |
| O1 | C6 | C5 | N4 | 58.2° | 52.3° |
| O1 | C6 | C5 | H61 | 120.0° | 119.9° |
| O1 | C6 | C5 | H62 | 119.2° | 120.0° |
| O1 | C6 | C5 | H51 | 61.7° | 172.1° |
| O1 | C6 | C5 | H52 | 177.9° | 67.4° |
| O1 | C6 | H61 | H62 | 119.2° | 120.1° |
| C3 | C2 | H21 | H22 | 120.0° | 120.1° |
| C2 | C3 | N4 | H31 | 120.0° | 119.7° |
| C2 | C3 | N4 | H32 | 119.4° | 119.8° |
| C2 | C3 | H31 | H32 | 119.4° | 120.6° |
| C2 | C3 | N4 | C5 | 49.3° | 50.6° |
| C2 | C3 | N4 | C | 146.6° | 129.4° |
| H21 | C2 | C3 | N4 | 175.1° | 67.6° |
| H21 | C2 | C3 | H31 | 55.2° | 52.1° |
| H21 | C2 | C3 | H32 | 65.4° | 172.6° |
| H22 | C2 | C3 | N4 | 64.9° | 172.3° |
| H22 | C2 | C3 | H31 | 175.1° | 68.0° |
| H22 | C2 | C3 | H32 | 54.6° | 52.5° |
| N4 | C3 | H31 | H32 | 119.5° | 120.6° |
| C3 | N4 | C5 | C | 164.6° | 180.0° |
| C3 | N4 | C5 | C6 | 48.6° | 50.5° |
| C3 | N4 | C5 | H51 | 71.3° | 170.3° |
| C3 | N4 | C5 | H52 | 168.3° | 69.2° |
| C3 | N4 | C | O | 169.2° | 5.2° |
| C3 | N4 | C | N | 16.4° | 174.8° |
| H31 | C3 | N4 | C5 | 70.7° | 170.2° |
| H31 | C3 | N4 | C | 93.5° | 9.8° |
| H32 | C3 | N4 | C5 | 168.8° | 69.2° |
| H32 | C3 | N4 | C | 27.1° | 110.8° |
| N4 | C5 | C6 | H51 | 120.0° | 119.8° |
| N4 | C5 | C6 | H52 | 119.6° | 119.7° |
| N4 | C5 | H51 | H52 | 119.6° | 120.6° |
| N4 | C5 | C6 | H61 | 61.8° | 172.2° |
| N4 | C5 | C6 | H62 | 177.4° | 67.7° |
| C5 | N4 | C | O | 5.7° | 174.8° |
| C5 | N4 | C | N | 179.8° | 5.2° |
| C | N4 | C5 | C6 | 146.8° | 129.4° |
| C | N4 | C5 | H51 | 93.2° | 9.7° |
| C | N4 | C5 | H52 | 27.1° | 110.9° |
| N4 | C | O | N | 174.4° | 180.0° |
| N4 | C | N | CA | 175.2° | 174.7° |
| N4 | C | N | H | 4.8° | 5.3° |
| C6 | C5 | H51 | H52 | 119.7° | 120.5° |
| C5 | C6 | H61 | H62 | 119.2° | 120.1° |
| H51 | C5 | C6 | H61 | 178.3° | 68.1° |
| H51 | C5 | C6 | H62 | 57.5° | 52.1° |
| H52 | C5 | C6 | H61 | 57.9° | 52.5° |
| H52 | C5 | C6 | H62 | 62.9° | 172.6° |
| O | C | N | CA | 0.7° | 5.3° |
| O | C | N | H | 179.3° | 174.7° |
| CA | N | H | C | 180.0° | 180.0° |
| N | CA | C1 | CB | 121.7° | 120.0° |
| N | CA | C1 | HA | 118.7° | 120.0° |
| N | CA | CB | HA | 118.7° | 119.9° |
| N | CA | C1 | O2 | 37.4° | 0.0° |
| N | CA | CB | CG | 72.6° | 65.0° |
| N | CA | CB | HB2 | 47.4° | 55.0° |
| N | CA | CB | HB3 | 168.8° | 175.0° |
| N | CA | C1 | N1 | 145.6° | 180.0° |
| H | N | CA | C1 | 109.4° | 25.0° |
| H | N | CA | CB | 10.9° | 95.0° |
| H | N | CA | HA | 130.6° | 145.1° |
| C1 | CA | CB | HA | 120.1° | 120.0° |
| CA | C1 | O2 | N1 | 176.8° | 180.0° |
| C1 | CA | CB | CG | 166.2° | 175.0° |
| C1 | CA | CB | HB2 | 73.8° | 65.0° |
| C1 | CA | CB | HB3 | 47.6° | 55.0° |
| CA | C1 | N1 | CA1 | 173.8° | 180.0° |
| CA | C1 | N1 | H1 | 6.2° | 0.0° |
| C1 | CA | N | C | 70.6° | 155.0° |
| CB | CA | C1 | O2 | 84.3° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 118.6° | 120.0° |
| CA | CB | HB2 | HB3 | 118.6° | 120.0° |
| CA | CB | CG | CD1 | 93.1° | 90.0° |
| CA | CB | CG | CD2 | 85.8° | 90.3° |
| CB | CA | N | C | 169.1° | 84.9° |
| CB | CA | C1 | N1 | 92.7° | 60.0° |
| HA | CA | C1 | O2 | 156.0° | 120.0° |
| HA | CA | CB | CG | 46.1° | 55.0° |
| HA | CA | CB | HB2 | 166.1° | 175.0° |
| HA | CA | CB | HB3 | 72.5° | 65.1° |
| HA | CA | N | C | 49.5° | 35.0° |
| HA | CA | C1 | N1 | 27.0° | 60.0° |
| O2 | C1 | N1 | CA1 | 3.2° | 0.0° |
| O2 | C1 | N1 | H1 | 176.8° | 180.0° |
| CG | CB | HB2 | HB3 | 118.6° | 120.0° |
| CB | CG | CD1 | CD2 | 179.0° | 179.8° |
| CB | CG | CD1 | CE1 | 179.5° | 180.0° |
| CB | CG | CD1 | HD1 | 0.5° | 0.0° |
| CB | CG | CD2 | CE2 | 178.5° | 180.0° |
| CB | CG | CD2 | HD2 | 1.5° | 0.0° |
| HB2 | CB | CG | CD1 | 146.8° | 30.0° |
| HB2 | CB | CG | CD2 | 34.2° | 149.7° |
| HB3 | CB | CG | CD1 | 25.4° | 150.0° |
| HB3 | CB | CG | CD2 | 155.6° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 2.5° | 0.2° |
| CD1 | CG | CD2 | HD2 | 177.6° | 179.7° |
| CG | CD1 | CE1 | CZ | 4.1° | 0.0° |
| CG | CD1 | CE1 | HE1 | 175.9° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.5° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.5° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.8° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 6.8° | 0.3° |
| CD1 | CE1 | CZ | HZ | 173.2° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 175.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 4.1° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 4.9° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 175.1° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.2° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
| CE1 | CZ | CE2 | HE2 | 175.1° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 173.2° | 179.8° |
| HE1 | CE1 | CZ | HZ | 6.8° | 0.0° |
| HE2 | CE2 | CZ | HZ | 4.9° | 0.0° |
| CA1 | N1 | H1 | C1 | 180.0° | 180.0° |
| N1 | CA1 | CB1 | C4 | 118.7° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 122.5° | 120.0° |
| N1 | CA1 | C4 | HA1 | 122.5° | 119.9° |
| N1 | CA1 | CB1 | SG | 171.9° | 59.9° |
| N1 | CA1 | CB1 | HB21 | 51.9° | 60.0° |
| N1 | CA1 | CB1 | HB31 | 67.2° | 180.0° |
| N1 | CA1 | C4 | O3 | 80.5° | 0.0° |
| N1 | CA1 | C4 | N2 | 96.2° | 180.0° |
| H1 | N1 | CA1 | CB1 | 87.0° | 95.0° |
| H1 | N1 | CA1 | C4 | 34.4° | 25.0° |
| H1 | N1 | CA1 | HA1 | 153.2° | 145.0° |
| CB1 | CA1 | C4 | HA1 | 119.8° | 120.0° |
| CA1 | CB1 | SG | HB21 | 120.0° | 119.9° |
| CA1 | CB1 | SG | HB31 | 120.9° | 120.1° |
| CA1 | CB1 | HB21 | HB31 | 120.9° | 120.0° |
| CA1 | CB1 | SG | CS | 179.8° | 180.0° |
| CB1 | CA1 | C4 | O3 | 37.2° | 120.1° |
| CB1 | CA1 | N1 | C1 | 93.0° | 85.0° |
| CB1 | CA1 | C4 | N2 | 146.2° | 60.0° |
| C4 | CA1 | CB1 | SG | 69.4° | 180.0° |
| C4 | CA1 | CB1 | HB21 | 170.6° | 60.0° |
| C4 | CA1 | CB1 | HB31 | 51.5° | 60.0° |
| CA1 | C4 | O3 | N2 | 176.4° | 180.0° |
| CA1 | C4 | N2 | CA2 | 173.6° | 180.0° |
| CA1 | C4 | N2 | HN1 | 6.5° | 0.0° |
| C4 | CA1 | N1 | C1 | 145.6° | 155.0° |
| HA1 | CA1 | CB1 | SG | 49.5° | 60.1° |
| HA1 | CA1 | CB1 | HB21 | 70.6° | 180.0° |
| HA1 | CA1 | CB1 | HB31 | 170.4° | 60.0° |
| HA1 | CA1 | C4 | O3 | 157.0° | 119.9° |
| HA1 | CA1 | N1 | C1 | 26.8° | 35.1° |
| HA1 | CA1 | C4 | N2 | 26.3° | 60.0° |
| SG | CB1 | HB21 | HB31 | 120.9° | 120.0° |
| CB1 | SG | CS | HCS1 | 15.6° | 180.0° |
| CB1 | SG | CS | HCS2 | 135.6° | 60.0° |
| CB1 | SG | CS | HCS3 | 104.4° | 59.9° |
| HB21 | CB1 | SG | CS | 60.2° | 60.0° |
| HB31 | CB1 | SG | CS | 58.9° | 60.0° |
| SG | CS | HCS1 | HCS2 | 120.0° | 120.0° |
| SG | CS | HCS1 | HCS3 | 120.0° | 120.1° |
| SG | CS | HCS2 | HCS3 | 120.0° | 120.0° |
| HCS1 | CS | HCS2 | HCS3 | 120.0° | 120.0° |
| O3 | C4 | N2 | CA2 | 2.9° | 0.0° |
| O3 | C4 | N2 | HN1 | 177.0° | 180.0° |
| CA2 | N2 | HN1 | C4 | 180.0° | 180.0° |
| N2 | CA2 | CB2 | CH | 122.8° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 117.7° | 120.0° |
| N2 | CA2 | CH | HA2 | 117.6° | 120.0° |
| N2 | CA2 | CB2 | CG1 | 56.1° | 65.0° |
| N2 | CA2 | CB2 | HB1 | 63.9° | 54.9° |
| N2 | CA2 | CB2 | HB22 | 174.6° | 175.0° |
| N2 | CA2 | CH | OH | 52.3° | 60.0° |
| N2 | CA2 | CH | C7 | 69.2° | 60.0° |
| N2 | CA2 | CH | HC | 170.5° | 180.0° |
| HN1 | N2 | CA2 | CB2 | 54.4° | 95.0° |
| HN1 | N2 | CA2 | CH | 66.9° | 25.0° |
| HN1 | N2 | CA2 | HA2 | 173.7° | 145.0° |
| CB2 | CA2 | CH | HA2 | 119.5° | 120.0° |
| CA2 | CB2 | CG1 | HB1 | 120.0° | 120.0° |
| CA2 | CB2 | CG1 | HB22 | 118.5° | 120.0° |
| CA2 | CB2 | HB1 | HB22 | 118.6° | 120.1° |
| CA2 | CB2 | CG1 | CD11 | 176.6° | 175.0° |
| CA2 | CB2 | CG1 | CD21 | 63.5° | 65.0° |
| CA2 | CB2 | CG1 | HG | 55.4° | 55.0° |
| CB2 | CA2 | CH | OH | 70.6° | 60.0° |
| CB2 | CA2 | CH | C7 | 167.9° | 180.0° |
| CB2 | CA2 | CH | HC | 47.6° | 60.0° |
| CB2 | CA2 | N2 | C4 | 125.6° | 85.0° |
| CH | CA2 | CB2 | CG1 | 178.9° | 175.0° |
| CH | CA2 | CB2 | HB1 | 59.0° | 65.1° |
| CH | CA2 | CB2 | HB22 | 62.6° | 55.0° |
| CA2 | CH | OH | C7 | 120.2° | 120.0° |
| CA2 | CH | OH | HC | 119.5° | 120.1° |
| CA2 | CH | C7 | HC | 119.6° | 120.0° |
| CA2 | CH | OH | HH | 172.0° | 60.0° |
| CA2 | CH | C7 | O11 | 56.4° | 115.0° |
| CA2 | CH | C7 | O21 | 120.4° | 65.0° |
| CH | CA2 | N2 | C4 | 113.1° | 155.0° |
| HA2 | CA2 | CB2 | CG1 | 61.6° | 55.0° |
| HA2 | CA2 | CB2 | HB1 | 178.5° | 175.0° |
| HA2 | CA2 | CB2 | HB22 | 56.9° | 64.9° |
| HA2 | CA2 | CH | OH | 169.9° | 180.0° |
| HA2 | CA2 | CH | C7 | 48.5° | 60.0° |
| HA2 | CA2 | CH | HC | 71.9° | 60.0° |
| HA2 | CA2 | N2 | C4 | 6.3° | 35.0° |
| CG1 | CB2 | HB1 | HB22 | 118.6° | 120.0° |
| CB2 | CG1 | CD11 | CD21 | 121.3° | 120.0° |
| CB2 | CG1 | CD11 | HG | 119.8° | 120.0° |
| CB2 | CG1 | CD21 | HG | 119.8° | 120.0° |
| CB2 | CG1 | CD11 | CE11 | 179.9° | 180.0° |
| CB2 | CG1 | CD11 | HD11 | 60.1° | 60.0° |
| CB2 | CG1 | CD11 | HD12 | 61.0° | 60.0° |
| CB2 | CG1 | CD21 | CE21 | 175.1° | 180.0° |
| CB2 | CG1 | CD21 | HD21 | 55.1° | 60.0° |
| CB2 | CG1 | CD21 | HD22 | 65.2° | 60.0° |
| HB1 | CB2 | CG1 | CD11 | 56.7° | 55.0° |
| HB1 | CB2 | CG1 | CD21 | 176.5° | 175.0° |
| HB1 | CB2 | CG1 | HG | 64.6° | 65.0° |
| HB22 | CB2 | CG1 | CD11 | 64.9° | 65.0° |
| HB22 | CB2 | CG1 | CD21 | 55.0° | 55.0° |
| HB22 | CB2 | CG1 | HG | 173.9° | 175.0° |
| CD11 | CG1 | CD21 | HG | 121.2° | 120.0° |
| CG1 | CD11 | CE11 | HD11 | 120.0° | 120.0° |
| CG1 | CD11 | CE11 | HD12 | 118.8° | 120.0° |
| CG1 | CD11 | HD11 | HD12 | 118.9° | 120.0° |
| CD11 | CG1 | CD21 | CE21 | 56.1° | 60.0° |
| CD11 | CG1 | CD21 | HD21 | 63.8° | 60.0° |
| CD11 | CG1 | CD21 | HD22 | 175.8° | 180.0° |
| CG1 | CD11 | CE11 | CZ1 | 57.7° | 60.0° |
| CG1 | CD11 | CE11 | HE11 | 62.3° | 60.0° |
| CG1 | CD11 | CE11 | HE12 | 177.6° | 180.0° |
| CD21 | CG1 | CD11 | CE11 | 58.6° | 60.0° |
| CD21 | CG1 | CD11 | HD11 | 178.6° | 180.0° |
| CD21 | CG1 | CD11 | HD12 | 60.3° | 60.0° |
| CG1 | CD21 | CE21 | HD21 | 120.0° | 120.0° |
| CG1 | CD21 | CE21 | HD22 | 119.7° | 120.1° |
| CG1 | CD21 | HD21 | HD22 | 119.7° | 120.0° |
| CG1 | CD21 | CE21 | CZ1 | 55.6° | 60.0° |
| CG1 | CD21 | CE21 | HE21 | 175.7° | 180.0° |
| CG1 | CD21 | CE21 | HE22 | 63.5° | 60.0° |
| HG | CG1 | CD11 | CE11 | 60.3° | 60.0° |
| HG | CG1 | CD11 | HD11 | 59.7° | 60.0° |
| HG | CG1 | CD11 | HD12 | 179.2° | 180.0° |
| HG | CG1 | CD21 | CE21 | 65.1° | 60.0° |
| HG | CG1 | CD21 | HD21 | 174.9° | 180.0° |
| HG | CG1 | CD21 | HD22 | 54.6° | 60.0° |
| CE11 | CD11 | HD11 | HD12 | 118.9° | 120.0° |
| CD11 | CE11 | CZ1 | HE11 | 120.0° | 120.0° |
| CD11 | CE11 | CZ1 | HE12 | 120.0° | 120.0° |
| CD11 | CE11 | HE11 | HE12 | 120.0° | 120.0° |
| CD11 | CE11 | CZ1 | CE21 | 55.6° | 60.0° |
| CD11 | CE11 | CZ1 | HZ1 | 175.6° | 180.0° |
| CD11 | CE11 | CZ1 | HZ2 | 63.3° | 60.0° |
| HD11 | CD11 | CE11 | CZ1 | 177.7° | 180.0° |
| HD11 | CD11 | CE11 | HE11 | 57.7° | 60.0° |
| HD11 | CD11 | CE11 | HE12 | 62.3° | 60.0° |
| HD12 | CD11 | CE11 | CZ1 | 61.2° | 60.0° |
| HD12 | CD11 | CE11 | HE11 | 178.8° | 180.0° |
| HD12 | CD11 | CE11 | HE12 | 58.8° | 60.0° |
| CE21 | CD21 | HD21 | HD22 | 119.7° | 119.9° |
| CD21 | CE21 | CZ1 | CE11 | 55.5° | 60.0° |
| CD21 | CE21 | CZ1 | HE21 | 120.0° | 120.1° |
| CD21 | CE21 | CZ1 | HE22 | 119.1° | 120.0° |
| CD21 | CE21 | HE21 | HE22 | 119.1° | 120.0° |
| CD21 | CE21 | CZ1 | HZ1 | 175.5° | 179.9° |
| CD21 | CE21 | CZ1 | HZ2 | 63.4° | 60.0° |
| HD21 | CD21 | CE21 | CZ1 | 64.4° | 60.1° |
| HD21 | CD21 | CE21 | HE21 | 55.6° | 60.0° |
| HD21 | CD21 | CE21 | HE22 | 176.5° | 179.9° |
| HD22 | CD21 | CE21 | CZ1 | 175.3° | 179.9° |
| HD22 | CD21 | CE21 | HE21 | 64.7° | 59.9° |
| HD22 | CD21 | CE21 | HE22 | 56.2° | 60.1° |
| CZ1 | CE11 | HE11 | HE12 | 120.0° | 120.0° |
| CE11 | CZ1 | CE21 | HZ1 | 120.0° | 119.9° |
| CE11 | CZ1 | CE21 | HZ2 | 118.9° | 120.0° |
| CE11 | CZ1 | CE21 | HE21 | 175.5° | 179.9° |
| CE11 | CZ1 | CE21 | HE22 | 63.6° | 60.0° |
| CE11 | CZ1 | HZ1 | HZ2 | 119.0° | 120.0° |
| HE11 | CE11 | CZ1 | CE21 | 64.4° | 60.0° |
| HE11 | CE11 | CZ1 | HZ1 | 55.6° | 60.0° |
| HE11 | CE11 | CZ1 | HZ2 | 176.7° | 180.0° |
| HE12 | CE11 | CZ1 | CE21 | 175.6° | 180.0° |
| HE12 | CE11 | CZ1 | HZ1 | 64.4° | 60.0° |
| HE12 | CE11 | CZ1 | HZ2 | 56.7° | 60.0° |
| CZ1 | CE21 | HE21 | HE22 | 119.1° | 120.0° |
| CE21 | CZ1 | HZ1 | HZ2 | 119.0° | 120.1° |
| HE21 | CE21 | CZ1 | HZ1 | 64.5° | 60.0° |
| HE21 | CE21 | CZ1 | HZ2 | 56.6° | 60.0° |
| HE22 | CE21 | CZ1 | HZ1 | 56.4° | 59.9° |
| HE22 | CE21 | CZ1 | HZ2 | 177.5° | 180.0° |
| OH | CH | C7 | HC | 118.2° | 120.0° |
| OH | CH | C7 | O11 | 178.6° | 5.0° |
| OH | CH | C7 | O21 | 1.8° | 175.0° |
| C7 | CH | OH | HH | 67.9° | 60.0° |
| CH | C7 | O11 | O21 | 176.4° | 179.9° |
| CH | C7 | O21 | CM | 179.5° | 180.0° |
| HC | CH | OH | HH | 52.5° | 179.9° |
| HC | CH | C7 | O11 | 63.2° | 125.0° |
| HC | CH | C7 | O21 | 120.1° | 55.0° |
| O11 | C7 | O21 | CM | 2.8° | 0.1° |
| C7 | O21 | CM | CM1 | 93.4° | 89.9° |
| C7 | O21 | CM | CM2 | 148.7° | 150.0° |
| C7 | O21 | CM | HM | 27.2° | 30.0° |
| O21 | CM | CM1 | CM2 | 114.1° | 120.0° |
| O21 | CM | CM1 | HM | 123.9° | 120.0° |
| O21 | CM | CM2 | HM | 123.8° | 120.0° |
| O21 | CM | CM1 | HM11 | 99.7° | 60.0° |
| O21 | CM | CM1 | HM12 | 20.2° | 180.0° |
| O21 | CM | CM1 | HM13 | 140.3° | 59.9° |
| O21 | CM | CM2 | HM21 | 105.9° | 60.0° |
| O21 | CM | CM2 | HM22 | 14.1° | 180.0° |
| O21 | CM | CM2 | HM23 | 134.1° | 60.0° |
| CM1 | CM | CM2 | HM | 120.8° | 119.9° |
| CM | CM1 | HM11 | HM12 | 120.0° | 120.0° |
| CM | CM1 | HM11 | HM13 | 120.0° | 120.0° |
| CM | CM1 | HM12 | HM13 | 120.0° | 120.1° |
| CM1 | CM | CM2 | HM21 | 9.5° | 180.0° |
| CM1 | CM | CM2 | HM22 | 129.5° | 60.0° |
| CM1 | CM | CM2 | HM23 | 110.5° | 60.0° |
| CM2 | CM | CM1 | HM11 | 146.1° | 60.0° |
| CM2 | CM | CM1 | HM12 | 93.9° | 59.9° |
| CM2 | CM | CM1 | HM13 | 26.1° | 180.0° |
| CM | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| CM | CM2 | HM21 | HM23 | 120.0° | 120.0° |
| CM | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| HM | CM | CM1 | HM11 | 24.2° | 180.0° |
| HM | CM | CM1 | HM12 | 144.1° | 60.0° |
| HM | CM | CM1 | HM13 | 95.8° | 60.0° |
| HM | CM | CM2 | HM21 | 130.3° | 60.1° |
| HM | CM | CM2 | HM22 | 109.7° | 59.9° |
| HM | CM | CM2 | HM23 | 10.3° | 179.9° |
| HM11 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.1° |
