PRD_000416
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.45Å | |
| O1 | C6 | sing | 1.43Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.41Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | N4 | sing | 1.47Å | 1.42Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | C5 | sing | 1.47Å | 1.45Å | |
| N4 | C | sing | 1.35Å | 1.37Å | |
| C5 | C6 | sing | 1.53Å | 1.48Å | |
| 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 | 1.22Å | |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C1 | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C1 | O2 | doub | 1.21Å | 1.17Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.36Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.43Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.42Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.37Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| N1 | CA1 | sing | 1.46Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | C4 | sing | 1.51Å | 1.57Å | |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C4 | O3 | doub | 1.21Å | 1.21Å | |
| CB1 | CG1 | sing | 1.53Å | 1.51Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | CD | sing | 1.53Å | 1.51Å | |
| CG1 | HG2 | sing | 1.09Å | 1.10Å | |
| CG1 | HG3 | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.48Å | |
| CD | HD21 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE11 | sing | 1.09Å | 1.10Å | |
| CE | HE21 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| N2 | CA2 | sing | 1.47Å | 1.51Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| CA2 | CB2 | sing | 1.53Å | 1.48Å | |
| CA2 | CH | sing | 1.53Å | 1.53Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | CG2 | sing | 1.53Å | 1.50Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CB2 | HB32 | sing | 1.09Å | 1.10Å | |
| CG2 | CD11 | sing | 1.53Å | 1.47Å | |
| CG2 | CD21 | sing | 1.53Å | 1.50Å | |
| CG2 | HG | sing | 1.09Å | 1.10Å | |
| CD11 | CE11 | sing | 1.53Å | 1.52Å | |
| CD11 | HD12 | sing | 1.09Å | 1.10Å | |
| CD11 | HD13 | sing | 1.09Å | 1.10Å | |
| CD21 | CE21 | sing | 1.53Å | 1.52Å | |
| CD21 | HD23 | sing | 1.09Å | 1.10Å | |
| CD21 | HD22 | sing | 1.09Å | 1.10Å | |
| CE11 | CZ1 | sing | 1.53Å | 1.54Å | |
| CE11 | HE12 | sing | 1.09Å | 1.10Å | |
| CE11 | HE13 | sing | 1.09Å | 1.10Å | |
| CE21 | CZ1 | sing | 1.53Å | 1.46Å | |
| CE21 | HE23 | sing | 1.09Å | 1.10Å | |
| CE21 | HE22 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ2 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ3 | sing | 1.09Å | 1.10Å | |
| CH | OH1 | sing | 1.43Å | 1.47Å | |
| CH | OH2 | sing | 1.43Å | 1.38Å | |
| CH | CM | sing | 1.53Å | 1.53Å | |
| OH1 | HH1 | sing | 0.97Å | 0.95Å | |
| OH2 | HH2 | sing | 0.97Å | 0.95Å | |
| CM | F1 | sing | 1.40Å | 1.28Å | |
| CM | F2 | sing | 1.40Å | 1.34Å | |
| CM | C7 | sing | 1.51Å | 1.49Å | |
| C7 | O4 | doub | 1.21Å | 1.26Å | |
| N3 | C8 | sing | 1.46Å | 1.50Å | |
| N3 | HN1 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C | N | sing | 1.35Å | 1.32Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| C4 | N2 | sing | 1.35Å | 1.29Å | |
| C7 | N3 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C6 | 108.0° | 114.2° |
| O1 | C2 | C3 | 110.7° | 109.3° |
| O1 | C2 | H21 | 109.0° | 109.5° |
| O1 | C2 | H22 | 108.8° | 109.5° |
| O1 | C6 | C5 | 107.9° | 109.3° |
| O1 | C6 | H61 | 110.0° | 109.5° |
| O1 | C6 | H62 | 110.3° | 109.5° |
| C3 | C2 | H21 | 109.1° | 109.5° |
| C3 | C2 | H22 | 108.8° | 109.6° |
| C2 | C3 | N4 | 113.3° | 108.4° |
| C2 | C3 | H31 | 108.2° | 109.7° |
| C2 | C3 | H32 | 107.3° | 109.7° |
| H21 | C2 | H22 | 110.5° | 109.5° |
| N4 | C3 | H31 | 108.2° | 109.7° |
| N4 | C3 | H32 | 107.4° | 109.7° |
| C3 | N4 | C5 | 121.6° | 118.0° |
| C3 | N4 | C | 118.6° | 121.0° |
| H31 | C3 | H32 | 112.5° | 109.7° |
| C5 | N4 | C | 119.7° | 121.0° |
| N4 | C5 | C6 | 108.3° | 108.4° |
| N4 | C5 | H51 | 109.9° | 109.7° |
| N4 | C5 | H52 | 110.1° | 109.7° |
| N4 | C | O | 119.0° | 120.0° |
| N4 | C | N | 119.5° | 120.0° |
| C6 | C5 | H51 | 109.9° | 109.7° |
| C6 | C5 | H52 | 110.1° | 109.6° |
| C5 | C6 | H61 | 110.0° | 109.5° |
| C5 | C6 | H62 | 110.3° | 109.5° |
| H51 | C5 | H52 | 108.6° | 109.8° |
| H61 | C6 | H62 | 108.3° | 109.5° |
| O | C | N | 121.5° | 120.0° |
| CA | N | H | 118.3° | 120.0° |
| N | CA | C1 | 110.8° | 109.5° |
| N | CA | CB | 107.2° | 109.5° |
| N | CA | HA | 108.6° | 109.5° |
| CA | N | C | 123.3° | 120.0° |
| H | N | C | 118.4° | 120.0° |
| C1 | CA | CB | 104.2° | 109.5° |
| C1 | CA | HA | 111.4° | 109.5° |
| CA | C1 | O2 | 125.9° | 120.0° |
| CA | C1 | N1 | 113.0° | 120.0° |
| CB | CA | HA | 114.7° | 109.4° |
| CA | CB | CG | 106.3° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.4° |
| CA | CB | HB3 | 111.3° | 109.4° |
| O2 | C1 | N1 | 121.2° | 120.0° |
| CG | CB | HB2 | 110.6° | 109.5° |
| CG | CB | HB3 | 111.2° | 109.5° |
| CB | CG | CD1 | 121.2° | 120.0° |
| CB | CG | CD2 | 118.5° | 120.0° |
| HB2 | CB | HB3 | 107.0° | 109.5° |
| CD1 | CG | CD2 | 120.2° | 120.0° |
| CG | CD1 | CE1 | 123.2° | 120.0° |
| CG | CD1 | HD1 | 118.4° | 120.0° |
| CG | CD2 | CE2 | 116.2° | 120.0° |
| CG | CD2 | HD2 | 121.9° | 119.9° |
| CE1 | CD1 | HD1 | 118.4° | 120.0° |
| CD1 | CE1 | CZ | 116.9° | 120.0° |
| CD1 | CE1 | HE1 | 121.6° | 120.0° |
| CE2 | CD2 | HD2 | 121.9° | 120.0° |
| CD2 | CE2 | CZ | 124.0° | 120.0° |
| CD2 | CE2 | HE2 | 118.0° | 120.1° |
| CZ | CE1 | HE1 | 121.5° | 120.0° |
| CE1 | CZ | CE2 | 119.5° | 120.0° |
| CE1 | CZ | HZ | 120.3° | 120.0° |
| CZ | CE2 | HE2 | 118.0° | 120.0° |
| CE2 | CZ | HZ | 120.3° | 120.0° |
| CA1 | N1 | H1 | 120.5° | 120.0° |
| N1 | CA1 | C4 | 105.7° | 109.5° |
| N1 | CA1 | CB1 | 108.0° | 109.5° |
| N1 | CA1 | HA1 | 112.2° | 109.5° |
| CA1 | N1 | C1 | 119.0° | 120.0° |
| H1 | N1 | C1 | 120.5° | 120.0° |
| C4 | CA1 | CB1 | 107.3° | 109.4° |
| C4 | CA1 | HA1 | 112.7° | 109.5° |
| CA1 | C4 | O3 | 119.2° | 120.0° |
| CA1 | C4 | N2 | 114.7° | 120.0° |
| CB1 | CA1 | HA1 | 110.6° | 109.4° |
| CA1 | CB1 | CG1 | 112.5° | 109.5° |
| CA1 | CB1 | HB21 | 108.5° | 109.5° |
| CA1 | CB1 | HB31 | 107.8° | 109.5° |
| O3 | C4 | N2 | 126.1° | 120.0° |
| CG1 | CB1 | HB21 | 108.5° | 109.5° |
| CG1 | CB1 | HB31 | 107.8° | 109.4° |
| CB1 | CG1 | CD | 118.3° | 109.5° |
| CB1 | CG1 | HG2 | 106.6° | 109.4° |
| CB1 | CG1 | HG3 | 104.5° | 109.4° |
| HB21 | CB1 | HB31 | 111.8° | 109.5° |
| CD | CG1 | HG2 | 106.6° | 109.5° |
| CD | CG1 | HG3 | 104.6° | 109.5° |
| CG1 | CD | CE | 115.2° | 109.5° |
| CG1 | CD | HD21 | 107.6° | 109.5° |
| CG1 | CD | HD3 | 106.3° | 109.5° |
| HG2 | CG1 | HG3 | 116.7° | 109.5° |
| CE | CD | HD21 | 107.6° | 109.5° |
| CE | CD | HD3 | 106.3° | 109.5° |
| CD | CE | HE11 | 109.5° | 109.5° |
| CD | CE | HE21 | 109.5° | 109.5° |
| CD | CE | HE3 | 109.4° | 109.5° |
| HD21 | CD | HD3 | 114.1° | 109.4° |
| HE11 | CE | HE21 | 109.5° | 109.5° |
| HE11 | CE | HE3 | 109.5° | 109.5° |
| HE21 | CE | HE3 | 109.5° | 109.5° |
| CA2 | N2 | H2 | 119.2° | 120.0° |
| N2 | CA2 | CB2 | 114.5° | 109.5° |
| N2 | CA2 | CH | 108.2° | 109.5° |
| N2 | CA2 | HA2 | 109.1° | 109.5° |
| CA2 | N2 | C4 | 121.6° | 120.0° |
| H2 | N2 | C4 | 119.2° | 120.0° |
| CB2 | CA2 | CH | 115.3° | 109.5° |
| CB2 | CA2 | HA2 | 100.9° | 109.4° |
| CA2 | CB2 | CG2 | 120.6° | 109.5° |
| CA2 | CB2 | HB22 | 105.9° | 109.5° |
| CA2 | CB2 | HB32 | 103.3° | 109.5° |
| CH | CA2 | HA2 | 108.2° | 109.5° |
| CA2 | CH | OH1 | 111.9° | 109.4° |
| CA2 | CH | OH2 | 109.3° | 109.5° |
| CA2 | CH | CM | 113.8° | 109.5° |
| CG2 | CB2 | HB22 | 105.9° | 109.5° |
| CG2 | CB2 | HB32 | 103.3° | 109.5° |
| CB2 | CG2 | CD11 | 115.0° | 109.5° |
| CB2 | CG2 | CD21 | 114.1° | 109.5° |
| CB2 | CG2 | HG | 103.5° | 109.5° |
| HB22 | CB2 | HB32 | 118.7° | 109.5° |
| CD11 | CG2 | CD21 | 113.9° | 109.4° |
| CD11 | CG2 | HG | 103.7° | 109.5° |
| CG2 | CD11 | CE11 | 119.9° | 109.5° |
| CG2 | CD11 | HD12 | 106.1° | 109.5° |
| CG2 | CD11 | HD13 | 103.7° | 109.4° |
| CD21 | CG2 | HG | 104.9° | 109.5° |
| CG2 | CD21 | CE21 | 114.0° | 109.4° |
| CG2 | CD21 | HD23 | 108.0° | 109.4° |
| CG2 | CD21 | HD22 | 107.0° | 109.5° |
| CE11 | CD11 | HD12 | 106.1° | 109.5° |
| CE11 | CD11 | HD13 | 103.7° | 109.5° |
| CD11 | CE11 | CZ1 | 108.9° | 109.5° |
| CD11 | CE11 | HE12 | 109.6° | 109.4° |
| CD11 | CE11 | HE13 | 109.7° | 109.5° |
| HD12 | CD11 | HD13 | 118.1° | 109.4° |
| CE21 | CD21 | HD23 | 108.0° | 109.5° |
| CE21 | CD21 | HD22 | 107.0° | 109.5° |
| CD21 | CE21 | CZ1 | 116.4° | 109.5° |
| CD21 | CE21 | HE23 | 107.2° | 109.5° |
| CD21 | CE21 | HE22 | 105.6° | 109.4° |
| HD23 | CD21 | HD22 | 113.0° | 109.5° |
| CZ1 | CE11 | HE12 | 109.7° | 109.5° |
| CZ1 | CE11 | HE13 | 109.8° | 109.5° |
| CE11 | CZ1 | CE21 | 112.8° | 109.5° |
| CE11 | CZ1 | HZ2 | 108.4° | 109.4° |
| CE11 | CZ1 | HZ3 | 107.6° | 109.5° |
| HE12 | CE11 | HE13 | 109.1° | 109.5° |
| CZ1 | CE21 | HE23 | 107.2° | 109.5° |
| CZ1 | CE21 | HE22 | 105.6° | 109.5° |
| CE21 | CZ1 | HZ2 | 108.4° | 109.5° |
| CE21 | CZ1 | HZ3 | 107.6° | 109.4° |
| HE23 | CE21 | HE22 | 115.1° | 109.5° |
| HZ2 | CZ1 | HZ3 | 112.1° | 109.5° |
| OH1 | CH | OH2 | 104.8° | 109.5° |
| OH1 | CH | CM | 109.1° | 109.5° |
| CH | OH1 | HH1 | 109.5° | 114.0° |
| OH2 | CH | CM | 107.5° | 109.5° |
| CH | OH2 | HH2 | 109.5° | 114.0° |
| CH | CM | F1 | 110.6° | 109.5° |
| CH | CM | F2 | 111.8° | 109.4° |
| CH | CM | C7 | 111.7° | 109.5° |
| F1 | CM | F2 | 102.8° | 109.5° |
| F1 | CM | C7 | 112.1° | 109.5° |
| F2 | CM | C7 | 107.4° | 109.5° |
| CM | C7 | O4 | 125.5° | 120.0° |
| CM | C7 | N3 | 118.3° | 120.0° |
| O4 | C7 | N3 | 115.9° | 120.0° |
| C8 | N3 | HN1 | 122.2° | 120.0° |
| N3 | C8 | H11 | 109.5° | 109.5° |
| N3 | C8 | H23 | 109.5° | 109.5° |
| N3 | C8 | H3 | 109.5° | 109.5° |
| C8 | N3 | C7 | 115.7° | 120.0° |
| HN1 | N3 | C7 | 122.2° | 120.0° |
| H11 | C8 | H23 | 109.5° | 109.5° |
| H11 | C8 | H3 | 109.5° | 109.5° |
| H23 | C8 | H3 | 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 | 119.5° | 120.0° |
| O1 | C2 | H21 | H22 | 119.5° | 120.1° |
| O1 | C2 | C3 | N4 | 45.8° | 52.3° |
| O1 | C2 | C3 | H31 | 74.2° | 172.0° |
| O1 | C2 | C3 | H32 | 164.1° | 67.4° |
| C2 | O1 | C6 | C5 | 69.3° | 62.5° |
| C2 | O1 | C6 | H61 | 50.7° | 177.5° |
| C2 | O1 | C6 | H62 | 170.0° | 57.4° |
| C6 | O1 | C2 | C3 | 64.8° | 62.5° |
| C6 | O1 | C2 | H21 | 175.2° | 57.4° |
| C6 | O1 | C2 | H22 | 54.6° | 177.5° |
| O1 | C6 | C5 | N4 | 53.7° | 52.3° |
| O1 | C6 | C5 | H61 | 120.0° | 120.0° |
| O1 | C6 | C5 | H62 | 120.6° | 119.9° |
| O1 | C6 | C5 | H51 | 66.3° | 172.0° |
| O1 | C6 | C5 | H52 | 174.2° | 67.4° |
| O1 | C6 | H61 | H62 | 120.6° | 120.1° |
| C3 | C2 | H21 | H22 | 119.5° | 120.2° |
| C2 | C3 | N4 | H31 | 120.0° | 119.8° |
| C2 | C3 | N4 | H32 | 118.3° | 119.7° |
| C2 | C3 | H31 | H32 | 118.4° | 120.5° |
| C2 | C3 | N4 | C5 | 35.0° | 50.5° |
| C2 | C3 | N4 | C | 145.8° | 129.5° |
| H21 | C2 | C3 | N4 | 165.8° | 67.6° |
| H21 | C2 | C3 | H31 | 45.8° | 52.1° |
| H21 | C2 | C3 | H32 | 75.9° | 172.7° |
| H22 | C2 | C3 | N4 | 73.7° | 172.2° |
| H22 | C2 | C3 | H31 | 166.3° | 68.0° |
| H22 | C2 | C3 | H32 | 44.7° | 52.5° |
| N4 | C3 | H31 | H32 | 118.4° | 120.5° |
| C3 | N4 | C5 | C | 179.2° | 180.0° |
| C3 | N4 | C5 | C6 | 38.8° | 50.5° |
| C3 | N4 | C5 | H51 | 81.3° | 170.2° |
| C3 | N4 | C5 | H52 | 159.2° | 69.2° |
| C3 | N4 | C | O | 179.2° | 4.2° |
| C3 | N4 | C | N | 0.3° | 175.8° |
| H31 | C3 | N4 | C5 | 85.0° | 170.3° |
| H31 | C3 | N4 | C | 94.2° | 9.7° |
| H32 | C3 | N4 | C5 | 153.3° | 69.2° |
| H32 | C3 | N4 | C | 27.5° | 110.8° |
| N4 | C5 | C6 | H51 | 120.0° | 119.7° |
| N4 | C5 | C6 | H52 | 120.4° | 119.7° |
| N4 | C5 | H51 | H52 | 120.4° | 120.6° |
| N4 | C5 | C6 | H61 | 66.3° | 172.3° |
| N4 | C5 | C6 | H62 | 174.4° | 67.6° |
| C5 | N4 | C | O | 0.0° | 175.8° |
| C5 | N4 | C | N | 179.6° | 4.3° |
| C | N4 | C5 | C6 | 142.0° | 129.5° |
| C | N4 | C5 | H51 | 97.9° | 9.7° |
| C | N4 | C5 | H52 | 21.6° | 110.9° |
| N4 | C | O | N | 179.5° | 180.0° |
| N4 | C | N | CA | 178.6° | 177.3° |
| N4 | C | N | H | 1.4° | 2.7° |
| C6 | C5 | H51 | H52 | 120.5° | 120.5° |
| C5 | C6 | H61 | H62 | 120.6° | 120.1° |
| H51 | C5 | C6 | H61 | 173.7° | 68.0° |
| H51 | C5 | C6 | H62 | 54.3° | 52.1° |
| H52 | C5 | C6 | H61 | 54.2° | 52.6° |
| H52 | C5 | C6 | H62 | 65.2° | 172.7° |
| O | C | N | CA | 1.9° | 2.7° |
| O | C | N | H | 178.1° | 177.3° |
| CA | N | H | C | 180.0° | 179.9° |
| N | CA | C1 | CB | 114.9° | 120.0° |
| N | CA | C1 | HA | 121.0° | 120.0° |
| N | CA | CB | HA | 120.6° | 120.0° |
| N | CA | C1 | O2 | 32.7° | 0.1° |
| N | CA | CB | CG | 74.9° | 65.0° |
| N | CA | CB | HB2 | 45.1° | 55.0° |
| N | CA | CB | HB3 | 163.8° | 175.0° |
| N | CA | C1 | N1 | 147.6° | 180.0° |
| H | N | CA | C1 | 107.7° | 25.0° |
| H | N | CA | CB | 5.3° | 95.1° |
| H | N | CA | HA | 129.7° | 145.0° |
| C1 | CA | CB | HA | 122.0° | 120.0° |
| CA | C1 | O2 | N1 | 179.7° | 179.9° |
| C1 | CA | CB | CG | 167.7° | 175.0° |
| C1 | CA | CB | HB2 | 72.3° | 65.0° |
| C1 | CA | CB | HB3 | 46.4° | 55.0° |
| CA | C1 | N1 | CA1 | 179.0° | 180.0° |
| CA | C1 | N1 | H1 | 1.0° | 0.0° |
| C1 | CA | N | C | 72.3° | 155.0° |
| CB | CA | C1 | O2 | 82.2° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 121.3° | 120.0° |
| CA | CB | HB2 | HB3 | 121.3° | 120.0° |
| CA | CB | CG | CD1 | 58.4° | 90.0° |
| CA | CB | CG | CD2 | 119.0° | 90.3° |
| CB | CA | N | C | 174.7° | 85.0° |
| CB | CA | C1 | N1 | 97.5° | 60.0° |
| HA | CA | C1 | O2 | 153.7° | 120.0° |
| HA | CA | CB | CG | 45.7° | 55.0° |
| HA | CA | CB | HB2 | 165.7° | 175.0° |
| HA | CA | CB | HB3 | 75.6° | 65.0° |
| HA | CA | N | C | 50.3° | 34.9° |
| HA | CA | C1 | N1 | 26.7° | 59.9° |
| O2 | C1 | N1 | CA1 | 1.3° | 0.1° |
| O2 | C1 | N1 | H1 | 178.7° | 180.0° |
| CG | CB | HB2 | HB3 | 121.3° | 120.1° |
| CB | CG | CD1 | CD2 | 177.3° | 179.6° |
| CB | CG | CD1 | CE1 | 179.7° | 180.0° |
| CB | CG | CD1 | HD1 | 0.3° | 0.1° |
| CB | CG | CD2 | CE2 | 179.4° | 180.0° |
| CB | CG | CD2 | HD2 | 0.6° | 0.0° |
| HB2 | CB | CG | CD1 | 178.4° | 29.9° |
| HB2 | CB | CG | CD2 | 1.0° | 149.7° |
| HB3 | CB | CG | CD1 | 62.9° | 150.0° |
| HB3 | CB | CG | CD2 | 119.7° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 2.0° | 0.3° |
| CD1 | CG | CD2 | HD2 | 178.0° | 179.6° |
| CG | CD1 | CE1 | CZ | 1.4° | 0.1° |
| CG | CD1 | CE1 | HE1 | 178.6° | 179.9° |
| CD2 | CG | CD1 | CE1 | 2.4° | 0.4° |
| CD2 | CG | CD1 | HD1 | 177.6° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.8° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.2° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.2° |
| CD1 | CE1 | CZ | HZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 178.6° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 1.4° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.2° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.8° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 179.8° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.0° | 0.1° |
| CA1 | N1 | H1 | C1 | 180.0° | 179.9° |
| N1 | CA1 | C4 | CB1 | 115.1° | 120.0° |
| N1 | CA1 | C4 | HA1 | 122.9° | 120.1° |
| N1 | CA1 | CB1 | HA1 | 123.1° | 120.0° |
| N1 | CA1 | C4 | O3 | 77.1° | 0.0° |
| N1 | CA1 | CB1 | CG1 | 176.6° | 65.0° |
| N1 | CA1 | CB1 | HB21 | 63.4° | 55.0° |
| N1 | CA1 | CB1 | HB31 | 57.9° | 175.0° |
| N1 | CA1 | C4 | N2 | 100.2° | 180.0° |
| H1 | N1 | CA1 | C4 | 26.2° | 24.9° |
| H1 | N1 | CA1 | CB1 | 88.4° | 95.0° |
| H1 | N1 | CA1 | HA1 | 149.4° | 145.0° |
| C4 | CA1 | CB1 | HA1 | 123.4° | 120.0° |
| CA1 | C4 | O3 | N2 | 176.9° | 179.9° |
| C4 | CA1 | CB1 | CG1 | 63.1° | 175.0° |
| C4 | CA1 | CB1 | HB21 | 176.9° | 65.0° |
| C4 | CA1 | CB1 | HB31 | 55.6° | 55.0° |
| CA1 | C4 | N2 | CA2 | 168.7° | 176.8° |
| CA1 | C4 | N2 | H2 | 11.3° | 3.2° |
| C4 | CA1 | N1 | C1 | 153.9° | 155.0° |
| CB1 | CA1 | C4 | O3 | 38.0° | 120.0° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB31 | 118.7° | 120.0° |
| CA1 | CB1 | HB21 | HB31 | 118.8° | 120.0° |
| CA1 | CB1 | CG1 | CD | 144.7° | 180.0° |
| CA1 | CB1 | CG1 | HG2 | 95.3° | 60.0° |
| CA1 | CB1 | CG1 | HG3 | 28.9° | 60.0° |
| CB1 | CA1 | N1 | C1 | 91.5° | 85.0° |
| CB1 | CA1 | C4 | N2 | 144.8° | 60.0° |
| HA1 | CA1 | C4 | O3 | 160.1° | 120.0° |
| HA1 | CA1 | CB1 | CG1 | 60.3° | 55.0° |
| HA1 | CA1 | CB1 | HB21 | 59.7° | 175.1° |
| HA1 | CA1 | CB1 | HB31 | 179.0° | 65.0° |
| HA1 | CA1 | N1 | C1 | 30.6° | 35.0° |
| HA1 | CA1 | C4 | N2 | 22.7° | 59.9° |
| O3 | C4 | N2 | CA2 | 8.3° | 3.2° |
| O3 | C4 | N2 | H2 | 171.7° | 176.8° |
| CG1 | CB1 | HB21 | HB31 | 118.8° | 120.0° |
| CB1 | CG1 | CD | HG2 | 120.0° | 120.0° |
| CB1 | CG1 | CD | HG3 | 115.8° | 120.0° |
| CB1 | CG1 | HG2 | HG3 | 116.3° | 119.9° |
| CB1 | CG1 | CD | CE | 49.7° | 180.0° |
| CB1 | CG1 | CD | HD21 | 169.7° | 60.0° |
| CB1 | CG1 | CD | HD3 | 67.7° | 60.0° |
| HB21 | CB1 | CG1 | CD | 24.7° | 60.0° |
| HB21 | CB1 | CG1 | HG2 | 144.7° | 180.0° |
| HB21 | CB1 | CG1 | HG3 | 91.1° | 60.0° |
| HB31 | CB1 | CG1 | CD | 96.6° | 60.0° |
| HB31 | CB1 | CG1 | HG2 | 23.4° | 60.0° |
| HB31 | CB1 | CG1 | HG3 | 147.6° | 180.0° |
| CD | CG1 | HG2 | HG3 | 116.4° | 120.0° |
| CG1 | CD | CE | HD21 | 120.0° | 120.0° |
| CG1 | CD | CE | HD3 | 117.4° | 120.0° |
| CG1 | CD | HD21 | HD3 | 117.7° | 120.0° |
| CG1 | CD | CE | HE11 | 132.1° | 60.0° |
| CG1 | CD | CE | HE21 | 12.1° | 180.0° |
| CG1 | CD | CE | HE3 | 107.9° | 60.0° |
| HG2 | CG1 | CD | CE | 70.3° | 60.1° |
| HG2 | CG1 | CD | HD21 | 49.7° | 179.9° |
| HG2 | CG1 | CD | HD3 | 172.3° | 60.0° |
| HG3 | CG1 | CD | CE | 165.5° | 60.0° |
| HG3 | CG1 | CD | HD21 | 74.5° | 60.0° |
| HG3 | CG1 | CD | HD3 | 48.1° | 180.0° |
| CE | CD | HD21 | HD3 | 117.7° | 120.0° |
| CD | CE | HE11 | HE21 | 120.0° | 120.0° |
| CD | CE | HE11 | HE3 | 120.0° | 120.0° |
| CD | CE | HE21 | HE3 | 120.0° | 120.0° |
| HD21 | CD | CE | HE11 | 107.9° | 60.0° |
| HD21 | CD | CE | HE21 | 132.1° | 60.0° |
| HD21 | CD | CE | HE3 | 12.1° | 180.0° |
| HD3 | CD | CE | HE11 | 14.7° | 180.0° |
| HD3 | CD | CE | HE21 | 105.4° | 60.0° |
| HD3 | CD | CE | HE3 | 134.6° | 60.0° |
| HE11 | CE | HE21 | HE3 | 120.0° | 120.0° |
| CA2 | N2 | H2 | C4 | 180.0° | 180.0° |
| N2 | CA2 | CB2 | CH | 126.6° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 117.0° | 120.0° |
| N2 | CA2 | CH | HA2 | 118.1° | 120.0° |
| N2 | CA2 | CB2 | CG2 | 42.2° | 70.1° |
| N2 | CA2 | CB2 | HB22 | 77.9° | 49.9° |
| N2 | CA2 | CB2 | HB32 | 156.7° | 169.9° |
| N2 | CA2 | CH | OH1 | 57.2° | 66.6° |
| N2 | CA2 | CH | OH2 | 172.8° | 53.4° |
| N2 | CA2 | CH | CM | 67.0° | 173.4° |
| H2 | N2 | CA2 | CB2 | 77.5° | 54.4° |
| H2 | N2 | CA2 | CH | 52.7° | 65.6° |
| H2 | N2 | CA2 | HA2 | 170.3° | 174.4° |
| CB2 | CA2 | CH | HA2 | 112.1° | 120.0° |
| CA2 | CB2 | CG2 | HB22 | 120.0° | 120.0° |
| CA2 | CB2 | CG2 | HB32 | 114.5° | 120.0° |
| CA2 | CB2 | HB22 | HB32 | 115.4° | 120.0° |
| CA2 | CB2 | CG2 | CD11 | 72.3° | 171.8° |
| CA2 | CB2 | CG2 | CD21 | 153.3° | 68.2° |
| CA2 | CB2 | CG2 | HG | 40.0° | 51.8° |
| CB2 | CA2 | CH | OH1 | 72.5° | 53.4° |
| CB2 | CA2 | CH | OH2 | 43.1° | 173.4° |
| CB2 | CA2 | CH | CM | 163.2° | 66.6° |
| CB2 | CA2 | N2 | C4 | 102.6° | 125.6° |
| CH | CA2 | CB2 | CG2 | 168.8° | 169.9° |
| CH | CA2 | CB2 | HB22 | 48.8° | 70.1° |
| CH | CA2 | CB2 | HB32 | 76.7° | 49.9° |
| CA2 | CH | OH1 | OH2 | 118.3° | 120.0° |
| CA2 | CH | OH1 | CM | 126.8° | 120.0° |
| CA2 | CH | OH2 | CM | 124.0° | 120.0° |
| CA2 | CH | OH1 | HH1 | 143.6° | 60.0° |
| CA2 | CH | OH2 | HH2 | 30.6° | 60.0° |
| CA2 | CH | CM | F1 | 43.6° | 42.7° |
| CA2 | CH | CM | F2 | 157.6° | 77.4° |
| CA2 | CH | CM | C7 | 82.0° | 162.7° |
| CH | CA2 | N2 | C4 | 127.2° | 114.4° |
| HA2 | CA2 | CB2 | CG2 | 74.9° | 49.9° |
| HA2 | CA2 | CB2 | HB22 | 165.1° | 169.9° |
| HA2 | CA2 | CB2 | HB32 | 39.6° | 70.1° |
| HA2 | CA2 | CH | OH1 | 175.4° | 173.4° |
| HA2 | CA2 | CH | OH2 | 69.0° | 66.6° |
| HA2 | CA2 | CH | CM | 51.2° | 53.4° |
| HA2 | CA2 | N2 | C4 | 9.7° | 5.6° |
| CG2 | CB2 | HB22 | HB32 | 115.4° | 120.0° |
| CB2 | CG2 | CD11 | CD21 | 134.4° | 120.0° |
| CB2 | CG2 | CD11 | HG | 112.2° | 120.1° |
| CB2 | CG2 | CD21 | HG | 112.5° | 120.0° |
| CB2 | CG2 | CD11 | CE11 | 175.9° | 180.0° |
| CB2 | CG2 | CD11 | HD12 | 55.9° | 59.9° |
| CB2 | CG2 | CD11 | HD13 | 69.3° | 60.0° |
| CB2 | CG2 | CD21 | CE21 | 171.7° | 180.0° |
| CB2 | CG2 | CD21 | HD23 | 68.3° | 60.0° |
| CB2 | CG2 | CD21 | HD22 | 53.7° | 60.0° |
| HB22 | CB2 | CG2 | CD11 | 167.6° | 68.2° |
| HB22 | CB2 | CG2 | CD21 | 33.3° | 51.8° |
| HB22 | CB2 | CG2 | HG | 80.0° | 171.8° |
| HB32 | CB2 | CG2 | CD11 | 42.2° | 51.8° |
| HB32 | CB2 | CG2 | CD21 | 92.2° | 171.8° |
| HB32 | CB2 | CG2 | HG | 154.5° | 68.2° |
| CD11 | CG2 | CD21 | HG | 112.7° | 120.0° |
| CG2 | CD11 | CE11 | HD12 | 120.0° | 120.1° |
| CG2 | CD11 | CE11 | HD13 | 114.9° | 120.0° |
| CG2 | CD11 | HD12 | HD13 | 115.7° | 119.9° |
| CD11 | CG2 | CD21 | CE21 | 36.9° | 60.0° |
| CD11 | CG2 | CD21 | HD23 | 156.9° | 180.0° |
| CD11 | CG2 | CD21 | HD22 | 81.2° | 60.0° |
| CG2 | CD11 | CE11 | CZ1 | 46.9° | 60.0° |
| CG2 | CD11 | CE11 | HE12 | 166.9° | 180.0° |
| CG2 | CD11 | CE11 | HE13 | 73.4° | 60.0° |
| CD21 | CG2 | CD11 | CE11 | 41.4° | 60.0° |
| CD21 | CG2 | CD11 | HD12 | 78.5° | 60.0° |
| CD21 | CG2 | CD11 | HD13 | 156.3° | 180.0° |
| CG2 | CD21 | CE21 | HD23 | 120.0° | 120.0° |
| CG2 | CD21 | CE21 | HD22 | 118.0° | 120.0° |
| CG2 | CD21 | HD23 | HD22 | 118.1° | 120.0° |
| CG2 | CD21 | CE21 | CZ1 | 44.1° | 60.0° |
| CG2 | CD21 | CE21 | HE23 | 75.9° | 60.0° |
| CG2 | CD21 | CE21 | HE22 | 161.0° | 180.0° |
| HG | CG2 | CD11 | CE11 | 71.9° | 59.9° |
| HG | CG2 | CD11 | HD12 | 168.1° | 180.0° |
| HG | CG2 | CD11 | HD13 | 42.9° | 60.1° |
| HG | CG2 | CD21 | CE21 | 75.8° | 60.0° |
| HG | CG2 | CD21 | HD23 | 44.2° | 60.0° |
| HG | CG2 | CD21 | HD22 | 166.2° | 180.0° |
| CE11 | CD11 | HD12 | HD13 | 115.7° | 120.0° |
| CD11 | CE11 | CZ1 | HE12 | 120.0° | 120.0° |
| CD11 | CE11 | CZ1 | HE13 | 120.2° | 120.0° |
| CD11 | CE11 | HE12 | HE13 | 120.2° | 120.0° |
| CD11 | CE11 | CZ1 | CE21 | 49.7° | 60.0° |
| CD11 | CE11 | CZ1 | HZ2 | 70.3° | 60.0° |
| CD11 | CE11 | CZ1 | HZ3 | 168.2° | 180.0° |
| HD12 | CD11 | CE11 | CZ1 | 73.1° | 60.0° |
| HD12 | CD11 | CE11 | HE12 | 46.9° | 60.0° |
| HD12 | CD11 | CE11 | HE13 | 166.7° | 180.0° |
| HD13 | CD11 | CE11 | CZ1 | 161.7° | 180.0° |
| HD13 | CD11 | CE11 | HE12 | 78.2° | 60.0° |
| HD13 | CD11 | CE11 | HE13 | 41.5° | 60.0° |
| CE21 | CD21 | HD23 | HD22 | 118.2° | 120.0° |
| CD21 | CE21 | CZ1 | CE11 | 51.4° | 60.0° |
| CD21 | CE21 | CZ1 | HE23 | 120.0° | 120.0° |
| CD21 | CE21 | CZ1 | HE22 | 116.8° | 119.9° |
| CD21 | CE21 | HE23 | HE22 | 117.1° | 119.9° |
| CD21 | CE21 | CZ1 | HZ2 | 68.6° | 60.0° |
| CD21 | CE21 | CZ1 | HZ3 | 170.0° | 180.0° |
| HD23 | CD21 | CE21 | CZ1 | 164.1° | 180.0° |
| HD23 | CD21 | CE21 | HE23 | 44.1° | 60.0° |
| HD23 | CD21 | CE21 | HE22 | 79.1° | 60.0° |
| HD22 | CD21 | CE21 | CZ1 | 73.9° | 60.0° |
| HD22 | CD21 | CE21 | HE23 | 166.1° | 180.0° |
| HD22 | CD21 | CE21 | HE22 | 42.9° | 60.0° |
| CZ1 | CE11 | HE12 | HE13 | 120.3° | 120.1° |
| CE11 | CZ1 | CE21 | HZ2 | 120.0° | 120.0° |
| CE11 | CZ1 | CE21 | HZ3 | 118.6° | 120.0° |
| CE11 | CZ1 | CE21 | HE23 | 68.6° | 59.9° |
| CE11 | CZ1 | CE21 | HE22 | 168.2° | 180.0° |
| CE11 | CZ1 | HZ2 | HZ3 | 118.7° | 120.0° |
| HE12 | CE11 | CZ1 | CE21 | 169.7° | 180.0° |
| HE12 | CE11 | CZ1 | HZ2 | 49.7° | 60.0° |
| HE12 | CE11 | CZ1 | HZ3 | 71.8° | 60.0° |
| HE13 | CE11 | CZ1 | CE21 | 70.5° | 60.0° |
| HE13 | CE11 | CZ1 | HZ2 | 169.5° | 180.0° |
| HE13 | CE11 | CZ1 | HZ3 | 48.0° | 60.0° |
| CZ1 | CE21 | HE23 | HE22 | 117.1° | 120.1° |
| CE21 | CZ1 | HZ2 | HZ3 | 118.6° | 120.0° |
| HE23 | CE21 | CZ1 | HZ2 | 171.4° | 180.0° |
| HE23 | CE21 | CZ1 | HZ3 | 50.0° | 60.0° |
| HE22 | CE21 | CZ1 | HZ2 | 48.2° | 60.0° |
| HE22 | CE21 | CZ1 | HZ3 | 73.2° | 60.0° |
| OH1 | CH | OH2 | CM | 116.0° | 120.0° |
| OH1 | CH | OH2 | HH2 | 150.6° | 180.0° |
| OH1 | CH | CM | F1 | 82.1° | 162.6° |
| OH1 | CH | CM | F2 | 31.9° | 42.6° |
| OH1 | CH | CM | C7 | 152.3° | 77.4° |
| OH2 | CH | OH1 | HH1 | 25.3° | 180.0° |
| OH2 | CH | CM | F1 | 164.8° | 77.4° |
| OH2 | CH | CM | F2 | 81.3° | 162.6° |
| OH2 | CH | CM | C7 | 39.1° | 42.6° |
| CM | CH | OH1 | HH1 | 89.6° | 60.0° |
| CM | CH | OH2 | HH2 | 93.3° | 60.0° |
| CH | CM | F1 | F2 | 119.6° | 120.0° |
| CH | CM | F1 | C7 | 125.4° | 120.0° |
| CH | CM | F2 | C7 | 122.8° | 120.0° |
| CH | CM | C7 | O4 | 91.1° | 25.0° |
| CH | CM | C7 | N3 | 94.8° | 155.0° |
| F1 | CM | F2 | C7 | 118.5° | 120.0° |
| F1 | CM | C7 | O4 | 33.7° | 95.0° |
| F1 | CM | C7 | N3 | 140.4° | 85.0° |
| F2 | CM | C7 | O4 | 145.9° | 145.0° |
| F2 | CM | C7 | N3 | 28.2° | 35.0° |
| CM | C7 | O4 | N3 | 174.2° | 180.0° |
| CM | C7 | N3 | C8 | 179.2° | 180.0° |
| CM | C7 | N3 | HN1 | 0.8° | 0.0° |
| O4 | C7 | N3 | C8 | 4.5° | 0.0° |
| O4 | C7 | N3 | HN1 | 175.5° | 180.0° |
| C8 | N3 | HN1 | C7 | 180.0° | 180.0° |
| N3 | C8 | H11 | H23 | 120.0° | 120.0° |
| N3 | C8 | H11 | H3 | 120.0° | 120.0° |
| N3 | C8 | H23 | H3 | 120.0° | 120.0° |
| HN1 | N3 | C8 | H11 | 176.5° | 120.0° |
| HN1 | N3 | C8 | H23 | 63.5° | 120.0° |
| HN1 | N3 | C8 | H3 | 56.5° | 0.0° |
| H11 | C8 | H23 | H3 | 120.0° | 120.0° |
| H11 | C8 | N3 | C7 | 3.5° | 60.0° |
| H23 | C8 | N3 | C7 | 116.4° | 60.0° |
| H3 | C8 | N3 | C7 | 123.5° | 180.0° |
