PRD_000392
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN1 | sing | 0.97Å | 1.00Å | |
| N | C | sing | 1.35Å | 1.36Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CB | CG1 | sing | 1.53Å | 1.58Å | |
| CB | CG2 | sing | 1.53Å | 1.52Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.52Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD2 | sing | 1.09Å | 1.10Å | |
| CD1 | HD3 | sing | 1.09Å | 1.10Å | |
| N1 | CA1 | sing | 1.46Å | 1.51Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | C1 | sing | 1.35Å | 1.36Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | CH | sing | 1.53Å | 1.57Å | |
| CA1 | HA | sing | 1.09Å | 1.10Å | |
| CB1 | CG | sing | 1.53Å | 1.50Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD11 | sing | 1.53Å | 1.50Å | |
| CG | CD2 | sing | 1.53Å | 1.62Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD11 | HD11 | sing | 1.09Å | 1.10Å | |
| CD11 | HD12 | sing | 1.09Å | 1.10Å | |
| CD11 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| CH | OH | sing | 1.43Å | 1.40Å | |
| CH | CM | sing | 1.53Å | 1.55Å | |
| CH | HC | sing | 1.09Å | 1.10Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| CM | C | sing | 1.51Å | 1.52Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| N2 | CA2 | sing | 1.47Å | 1.44Å | |
| N2 | H | sing | 0.97Å | 1.00Å | |
| N2 | C3 | sing | 1.35Å | 1.30Å | |
| CA2 | C1 | sing | 1.51Å | 1.50Å | |
| CA2 | CB2 | sing | 1.53Å | 1.49Å | |
| CA2 | HA3 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| CB2 | CG3 | sing | 1.53Å | 1.51Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CG3 | CD | sing | 1.53Å | 1.55Å | |
| CG3 | HG2 | sing | 1.09Å | 1.10Å | |
| CG3 | HG3 | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.54Å | |
| CD | HD24 | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.46Å | 1.45Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 0.97Å | 1.00Å | |
| NZ | C2 | sing | 1.35Å | 1.43Å | |
| C2 | S | doub | 1.71Å | 1.67Å | |
| C2 | N3 | sing | 1.35Å | 1.42Å | |
| N3 | CM1 | sing | 1.46Å | 1.47Å | |
| N3 | HN | sing | 0.97Å | 1.00Å | |
| CM1 | HM11 | sing | 1.09Å | 1.10Å | |
| CM1 | HM21 | sing | 1.09Å | 1.10Å | |
| CM1 | HM3 | sing | 1.09Å | 1.10Å | |
| N4 | CA3 | sing | 1.46Å | 1.44Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N4 | S1 | sing | 1.66Å | 1.69Å | |
| CA3 | C3 | sing | 1.51Å | 1.52Å | |
| CA3 | CB3 | sing | 1.53Å | 1.55Å | |
| CA3 | HA4 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | doub | 1.21Å | 1.21Å | |
| CB3 | CG4 | sing | 1.51Å | 1.52Å | |
| CB3 | HB22 | sing | 1.09Å | 1.10Å | |
| CB3 | HB31 | sing | 1.09Å | 1.10Å | |
| CG4 | CD12 | doub | 1.38Å | 1.35Å | Aromatic |
| CG4 | CD21 | sing | 1.38Å | 1.40Å | Aromatic |
| CD12 | CE1 | sing | 1.38Å | 1.42Å | Aromatic |
| CD12 | HD14 | sing | 1.08Å | 1.08Å | |
| CD21 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD21 | HD25 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | HE21 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| S1 | O11 | doub | 1.42Å | 1.52Å | |
| S1 | O21 | doub | 1.42Å | 1.37Å | |
| S1 | N5 | sing | 1.66Å | 1.72Å | |
| N5 | C11 | sing | 1.47Å | 1.50Å | |
| N5 | C21 | sing | 1.46Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| CB2 | HB3 | sing | 1.09Å | 1.10Å | |
| CD | HD31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 122.1° | 119.9° |
| CA | N | C | 115.8° | 120.0° |
| N | CA | CB | 111.0° | 109.5° |
| N | CA | HA1 | 108.9° | 109.4° |
| N | CA | HA2 | 109.0° | 109.4° |
| HN1 | N | C | 122.1° | 120.1° |
| N | C | CM | 120.4° | 120.0° |
| N | C | O | 121.1° | 120.0° |
| CB | CA | HA1 | 109.0° | 109.5° |
| CB | CA | HA2 | 108.9° | 109.5° |
| CA | CB | CG1 | 104.4° | 109.5° |
| CA | CB | CG2 | 109.6° | 109.5° |
| CA | CB | HB | 112.2° | 109.5° |
| HA1 | CA | HA2 | 110.0° | 109.5° |
| CG1 | CB | CG2 | 108.0° | 109.4° |
| CG1 | CB | HB | 113.6° | 109.4° |
| CB | CG1 | CD1 | 110.6° | 109.5° |
| CB | CG1 | HG11 | 109.1° | 109.5° |
| CB | CG1 | HG12 | 109.1° | 109.5° |
| CG2 | CB | HB | 108.8° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.4° | 109.5° |
| CD1 | CG1 | HG11 | 109.1° | 109.5° |
| CD1 | CG1 | HG12 | 109.1° | 109.4° |
| CG1 | CD1 | HD1 | 109.5° | 109.4° |
| CG1 | CD1 | HD2 | 109.5° | 109.5° |
| CG1 | CD1 | HD3 | 109.5° | 109.4° |
| HG11 | CG1 | HG12 | 109.8° | 109.4° |
| HG21 | CG2 | HG22 | 109.4° | 109.4° |
| HG21 | CG2 | HG23 | 109.5° | 109.4° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| HD1 | CD1 | HD2 | 109.4° | 109.5° |
| HD1 | CD1 | HD3 | 109.4° | 109.5° |
| HD2 | CD1 | HD3 | 109.5° | 109.5° |
| CA1 | N1 | HN11 | 120.9° | 120.0° |
| CA1 | N1 | C1 | 118.2° | 120.0° |
| N1 | CA1 | CB1 | 109.3° | 109.5° |
| N1 | CA1 | CH | 107.1° | 109.5° |
| N1 | CA1 | HA | 111.2° | 109.5° |
| HN11 | N1 | C1 | 120.9° | 120.0° |
| N1 | C1 | CA2 | 116.7° | 120.0° |
| N1 | C1 | O1 | 122.5° | 120.0° |
| CB1 | CA1 | CH | 109.4° | 109.5° |
| CB1 | CA1 | HA | 108.8° | 109.5° |
| CA1 | CB1 | CG | 120.5° | 109.5° |
| CA1 | CB1 | HB1 | 106.0° | 109.5° |
| CA1 | CB1 | HB2 | 106.0° | 109.4° |
| CH | CA1 | HA | 111.0° | 109.5° |
| CA1 | CH | OH | 106.3° | 109.5° |
| CA1 | CH | CM | 109.8° | 109.5° |
| CA1 | CH | HC | 110.8° | 109.5° |
| CG | CB1 | HB1 | 105.9° | 109.5° |
| CG | CB1 | HB2 | 105.9° | 109.5° |
| CB1 | CG | CD11 | 116.0° | 109.5° |
| CB1 | CG | CD2 | 113.8° | 109.5° |
| CB1 | CG | HG | 100.1° | 109.4° |
| HB1 | CB1 | HB2 | 112.8° | 109.4° |
| CD11 | CG | CD2 | 105.1° | 109.5° |
| CD11 | CG | HG | 109.7° | 109.5° |
| CG | CD11 | HD11 | 109.5° | 109.4° |
| CG | CD11 | HD12 | 109.5° | 109.5° |
| CG | CD11 | HD13 | 109.5° | 109.5° |
| CD2 | CG | HG | 112.1° | 109.5° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.5° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD11 | HD12 | 109.5° | 109.5° |
| HD11 | CD11 | HD13 | 109.5° | 109.5° |
| HD12 | CD11 | HD13 | 109.5° | 109.4° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HD21 | CD2 | HD23 | 109.5° | 109.4° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
| OH | CH | CM | 107.8° | 109.5° |
| OH | CH | HC | 112.7° | 109.5° |
| CH | OH | HH | 109.5° | 114.0° |
| CM | CH | HC | 109.4° | 109.5° |
| CH | CM | C | 106.3° | 109.5° |
| CH | CM | HM1 | 110.5° | 109.5° |
| CH | CM | HM2 | 110.5° | 109.5° |
| C | CM | HM1 | 110.5° | 109.5° |
| C | CM | HM2 | 110.5° | 109.4° |
| CM | C | O | 118.5° | 119.9° |
| HM1 | CM | HM2 | 108.3° | 109.5° |
| CA2 | N2 | H | 116.6° | 120.0° |
| CA2 | N2 | C3 | 126.9° | 120.0° |
| N2 | CA2 | C1 | 111.6° | 109.5° |
| N2 | CA2 | CB2 | 116.9° | 109.5° |
| N2 | CA2 | HA3 | 105.4° | 109.4° |
| H | N2 | C3 | 116.5° | 120.0° |
| N2 | C3 | CA3 | 117.7° | 120.0° |
| N2 | C3 | O2 | 122.7° | 120.0° |
| C1 | CA2 | CB2 | 116.9° | 109.5° |
| C1 | CA2 | HA3 | 105.4° | 109.5° |
| CA2 | C1 | O1 | 120.8° | 120.0° |
| CB2 | CA2 | HA3 | 98.1° | 109.5° |
| CA2 | CB2 | CG3 | 108.2° | 109.5° |
| CA2 | CB2 | HB21 | 109.9° | 109.4° |
| CA2 | CB2 | HB3 | 109.9° | 109.4° |
| CG3 | CB2 | HB21 | 109.9° | 109.5° |
| CB2 | CG3 | CD | 104.8° | 109.5° |
| CB2 | CG3 | HG2 | 111.1° | 109.5° |
| CB2 | CG3 | HG3 | 111.0° | 109.5° |
| CG3 | CB2 | HB3 | 109.9° | 109.5° |
| HB21 | CB2 | HB3 | 109.1° | 109.5° |
| CD | CG3 | HG2 | 111.0° | 109.4° |
| CD | CG3 | HG3 | 111.0° | 109.5° |
| CG3 | CD | CE | 101.1° | 109.5° |
| CG3 | CD | HD24 | 112.4° | 109.4° |
| CG3 | CD | HD31 | 112.4° | 109.5° |
| HG2 | CG3 | HG3 | 107.9° | 109.4° |
| CE | CD | HD24 | 112.4° | 109.5° |
| CD | CE | NZ | 109.0° | 109.5° |
| CD | CE | HE2 | 109.6° | 109.4° |
| CD | CE | HE3 | 109.6° | 109.5° |
| CE | CD | HD31 | 112.4° | 109.5° |
| HD24 | CD | HD31 | 106.4° | 109.4° |
| NZ | CE | HE2 | 109.6° | 109.5° |
| NZ | CE | HE3 | 109.6° | 109.5° |
| CE | NZ | HZ1 | 123.7° | 120.0° |
| CE | NZ | C2 | 112.7° | 120.0° |
| HE2 | CE | HE3 | 109.3° | 109.5° |
| HZ1 | NZ | C2 | 123.6° | 119.9° |
| NZ | C2 | S | 121.2° | 119.9° |
| NZ | C2 | N3 | 120.2° | 120.0° |
| S | C2 | N3 | 118.5° | 120.0° |
| C2 | N3 | CM1 | 113.6° | 120.0° |
| C2 | N3 | HN | 123.2° | 120.0° |
| CM1 | N3 | HN | 123.2° | 120.0° |
| N3 | CM1 | HM11 | 109.5° | 109.5° |
| N3 | CM1 | HM21 | 109.5° | 109.4° |
| N3 | CM1 | HM3 | 109.5° | 109.5° |
| HM11 | CM1 | HM21 | 109.4° | 109.4° |
| HM11 | CM1 | HM3 | 109.4° | 109.5° |
| HM21 | CM1 | HM3 | 109.5° | 109.4° |
| CA3 | N4 | H1 | 107.0° | 120.0° |
| CA3 | N4 | S1 | 117.1° | 120.0° |
| N4 | CA3 | C3 | 112.7° | 109.5° |
| N4 | CA3 | CB3 | 109.5° | 109.5° |
| N4 | CA3 | HA4 | 106.3° | 109.5° |
| H1 | N4 | S1 | 107.0° | 120.0° |
| N4 | S1 | O11 | 105.3° | 106.4° |
| N4 | S1 | O21 | 117.1° | 106.4° |
| N4 | S1 | N5 | 108.1° | 107.2° |
| C3 | CA3 | CB3 | 106.5° | 109.5° |
| C3 | CA3 | HA4 | 109.4° | 109.4° |
| CA3 | C3 | O2 | 119.3° | 120.0° |
| CB3 | CA3 | HA4 | 112.5° | 109.4° |
| CA3 | CB3 | CG4 | 113.7° | 109.5° |
| CA3 | CB3 | HB22 | 108.1° | 109.4° |
| CA3 | CB3 | HB31 | 108.1° | 109.5° |
| CG4 | CB3 | HB22 | 108.1° | 109.5° |
| CG4 | CB3 | HB31 | 108.1° | 109.5° |
| CB3 | CG4 | CD12 | 124.3° | 120.0° |
| CB3 | CG4 | CD21 | 118.0° | 120.0° |
| HB22 | CB3 | HB31 | 110.9° | 109.4° |
| CD12 | CG4 | CD21 | 117.6° | 120.0° |
| CG4 | CD12 | CE1 | 126.2° | 120.0° |
| CG4 | CD12 | HD14 | 116.9° | 120.0° |
| CG4 | CD21 | CE2 | 118.0° | 120.0° |
| CG4 | CD21 | HD25 | 121.0° | 120.0° |
| CE1 | CD12 | HD14 | 116.9° | 120.0° |
| CD12 | CE1 | CZ | 115.8° | 120.0° |
| CD12 | CE1 | HE1 | 122.1° | 120.0° |
| CE2 | CD21 | HD25 | 121.0° | 120.0° |
| CD21 | CE2 | CZ | 123.1° | 120.0° |
| CD21 | CE2 | HE21 | 118.5° | 120.0° |
| CZ | CE1 | HE1 | 122.1° | 120.0° |
| CE1 | CZ | CE2 | 119.3° | 120.0° |
| CE1 | CZ | HZ | 120.3° | 120.0° |
| CZ | CE2 | HE21 | 118.5° | 120.0° |
| CE2 | CZ | HZ | 120.3° | 119.9° |
| O11 | S1 | O21 | 108.4° | 123.1° |
| O11 | S1 | N5 | 102.9° | 106.4° |
| O21 | S1 | N5 | 113.7° | 106.4° |
| S1 | N5 | C11 | 107.1° | 120.0° |
| S1 | N5 | C21 | 107.8° | 120.0° |
| C11 | N5 | C21 | 105.5° | 120.0° |
| N5 | C11 | H11 | 109.5° | 109.5° |
| N5 | C11 | H12 | 109.5° | 109.4° |
| N5 | C11 | H13 | 109.5° | 109.5° |
| N5 | C21 | H21 | 109.5° | 109.5° |
| N5 | C21 | H22 | 109.5° | 109.5° |
| N5 | C21 | H23 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H13 | 109.4° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H21 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | C | 180.0° | 179.7° |
| N | CA | CB | HA1 | 120.0° | 120.0° |
| N | CA | CB | HA2 | 120.0° | 120.0° |
| N | CA | HA1 | HA2 | 119.4° | 119.9° |
| N | CA | CB | CG1 | 170.4° | 175.0° |
| N | CA | CB | CG2 | 54.9° | 65.0° |
| N | CA | CB | HB | 66.1° | 55.0° |
| CA | N | C | CM | 166.2° | 180.0° |
| CA | N | C | O | 13.0° | 0.0° |
| HN1 | N | CA | CB | 21.1° | 0.0° |
| HN1 | N | CA | HA1 | 141.1° | 120.0° |
| HN1 | N | CA | HA2 | 98.9° | 120.1° |
| HN1 | N | C | CM | 13.8° | 0.3° |
| HN1 | N | C | O | 167.0° | 179.7° |
| C | N | CA | CB | 158.9° | 179.7° |
| C | N | CA | HA1 | 38.9° | 59.7° |
| C | N | CA | HA2 | 81.1° | 60.2° |
| N | C | CM | CH | 87.9° | 180.0° |
| N | C | CM | O | 179.2° | 180.0° |
| N | C | CM | HM1 | 32.1° | 60.0° |
| N | C | CM | HM2 | 152.1° | 60.0° |
| CB | CA | HA1 | HA2 | 119.4° | 120.1° |
| CA | CB | CG1 | CG2 | 116.6° | 120.0° |
| CA | CB | CG1 | HB | 122.6° | 120.0° |
| CA | CB | CG2 | HB | 123.0° | 120.1° |
| CA | CB | CG1 | CD1 | 149.4° | 175.0° |
| CA | CB | CG1 | HG11 | 90.6° | 65.0° |
| CA | CB | CG1 | HG12 | 29.4° | 55.0° |
| CA | CB | CG2 | HG21 | 180.0° | 60.0° |
| CA | CB | CG2 | HG22 | 60.0° | 59.9° |
| CA | CB | CG2 | HG23 | 60.0° | 180.0° |
| HA1 | CA | CB | CG1 | 50.4° | 65.0° |
| HA1 | CA | CB | CG2 | 65.1° | 54.9° |
| HA1 | CA | CB | HB | 173.9° | 175.0° |
| HA2 | CA | CB | CG1 | 69.6° | 55.0° |
| HA2 | CA | CB | CG2 | 174.9° | 175.0° |
| HA2 | CA | CB | HB | 53.9° | 65.0° |
| CG1 | CB | CG2 | HB | 123.8° | 119.9° |
| CB | CG1 | CD1 | HG11 | 120.0° | 120.1° |
| CB | CG1 | CD1 | HG12 | 120.0° | 120.0° |
| CB | CG1 | HG11 | HG12 | 119.5° | 120.0° |
| CG1 | CB | CG2 | HG21 | 66.8° | 180.0° |
| CG1 | CB | CG2 | HG22 | 173.2° | 60.1° |
| CG1 | CB | CG2 | HG23 | 53.2° | 60.0° |
| CB | CG1 | CD1 | HD1 | 180.0° | 60.0° |
| CB | CG1 | CD1 | HD2 | 60.0° | 180.0° |
| CB | CG1 | CD1 | HD3 | 60.0° | 60.0° |
| CG2 | CB | CG1 | CD1 | 94.0° | 65.0° |
| CG2 | CB | CG1 | HG11 | 26.0° | 55.0° |
| CG2 | CB | CG1 | HG12 | 146.0° | 175.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.1° |
| HB | CB | CG1 | CD1 | 26.8° | 55.0° |
| HB | CB | CG1 | HG11 | 146.9° | 175.0° |
| HB | CB | CG1 | HG12 | 93.2° | 65.0° |
| HB | CB | CG2 | HG21 | 57.0° | 60.0° |
| HB | CB | CG2 | HG22 | 63.0° | 180.0° |
| HB | CB | CG2 | HG23 | 177.0° | 59.9° |
| CD1 | CG1 | HG11 | HG12 | 119.5° | 119.9° |
| CG1 | CD1 | HD1 | HD2 | 120.0° | 120.0° |
| CG1 | CD1 | HD1 | HD3 | 120.0° | 120.0° |
| CG1 | CD1 | HD2 | HD3 | 120.0° | 120.0° |
| HG11 | CG1 | CD1 | HD1 | 60.0° | 60.1° |
| HG11 | CG1 | CD1 | HD2 | 180.0° | 59.9° |
| HG11 | CG1 | CD1 | HD3 | 60.0° | 179.9° |
| HG12 | CG1 | CD1 | HD1 | 60.0° | 180.0° |
| HG12 | CG1 | CD1 | HD2 | 60.0° | 60.0° |
| HG12 | CG1 | CD1 | HD3 | 180.0° | 60.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HD1 | CD1 | HD2 | HD3 | 120.0° | 120.1° |
| CA1 | N1 | HN11 | C1 | 180.0° | 180.0° |
| N1 | CA1 | CB1 | CH | 117.0° | 120.0° |
| N1 | CA1 | CB1 | HA | 121.6° | 120.0° |
| N1 | CA1 | CH | HA | 121.5° | 120.0° |
| N1 | CA1 | CB1 | CG | 54.5° | 65.0° |
| N1 | CA1 | CB1 | HB1 | 65.5° | 55.0° |
| N1 | CA1 | CB1 | HB2 | 174.5° | 175.0° |
| N1 | CA1 | CH | OH | 52.2° | 60.0° |
| N1 | CA1 | CH | CM | 64.2° | 60.0° |
| N1 | CA1 | CH | HC | 174.9° | 180.0° |
| CA1 | N1 | C1 | CA2 | 165.7° | 180.0° |
| CA1 | N1 | C1 | O1 | 12.7° | 0.0° |
| HN11 | N1 | CA1 | CB1 | 69.2° | 95.1° |
| HN11 | N1 | CA1 | CH | 49.2° | 25.0° |
| HN11 | N1 | CA1 | HA | 170.6° | 145.0° |
| HN11 | N1 | C1 | CA2 | 14.3° | 0.0° |
| HN11 | N1 | C1 | O1 | 167.3° | 180.0° |
| C1 | N1 | CA1 | CB1 | 110.8° | 85.0° |
| C1 | N1 | CA1 | CH | 130.8° | 155.0° |
| C1 | N1 | CA1 | HA | 9.4° | 35.0° |
| N1 | C1 | CA2 | N2 | 88.2° | 160.0° |
| N1 | C1 | CA2 | O1 | 178.4° | 180.0° |
| N1 | C1 | CA2 | CB2 | 133.4° | 80.0° |
| N1 | C1 | CA2 | HA3 | 25.7° | 40.0° |
| CB1 | CA1 | CH | HA | 120.1° | 120.0° |
| CA1 | CB1 | CG | HB1 | 120.0° | 120.0° |
| CA1 | CB1 | CG | HB2 | 120.0° | 120.0° |
| CA1 | CB1 | HB1 | HB2 | 115.5° | 119.9° |
| CA1 | CB1 | CG | CD11 | 171.1° | 175.0° |
| CA1 | CB1 | CG | CD2 | 66.7° | 65.0° |
| CA1 | CB1 | CG | HG | 53.1° | 55.0° |
| CB1 | CA1 | CH | OH | 66.2° | 60.0° |
| CB1 | CA1 | CH | CM | 177.5° | 180.0° |
| CB1 | CA1 | CH | HC | 56.5° | 60.0° |
| CH | CA1 | CB1 | CG | 171.5° | 175.0° |
| CH | CA1 | CB1 | HB1 | 51.5° | 65.0° |
| CH | CA1 | CB1 | HB2 | 68.5° | 55.0° |
| CA1 | CH | OH | CM | 117.7° | 120.0° |
| CA1 | CH | OH | HC | 121.5° | 120.0° |
| CA1 | CH | CM | HC | 121.8° | 120.0° |
| CA1 | CH | OH | HH | 180.0° | 60.0° |
| CA1 | CH | CM | C | 80.9° | 175.0° |
| CA1 | CH | CM | HM1 | 159.1° | 65.0° |
| CA1 | CH | CM | HM2 | 39.1° | 55.0° |
| HA | CA1 | CB1 | CG | 67.0° | 55.0° |
| HA | CA1 | CB1 | HB1 | 173.0° | 175.0° |
| HA | CA1 | CB1 | HB2 | 53.0° | 65.0° |
| HA | CA1 | CH | OH | 173.7° | 180.0° |
| HA | CA1 | CH | CM | 57.3° | 60.0° |
| HA | CA1 | CH | HC | 63.6° | 60.0° |
| CG | CB1 | HB1 | HB2 | 115.4° | 120.0° |
| CB1 | CG | CD11 | CD2 | 126.7° | 120.0° |
| CB1 | CG | CD11 | HG | 112.5° | 120.0° |
| CB1 | CG | CD2 | HG | 112.8° | 119.9° |
| CB1 | CG | CD11 | HD11 | 180.0° | 60.0° |
| CB1 | CG | CD11 | HD12 | 60.0° | 180.0° |
| CB1 | CG | CD11 | HD13 | 60.0° | 60.0° |
| CB1 | CG | CD2 | HD21 | 180.0° | 60.1° |
| CB1 | CG | CD2 | HD22 | 60.0° | 60.0° |
| CB1 | CG | CD2 | HD23 | 60.0° | 180.0° |
| HB1 | CB1 | CG | CD11 | 51.1° | 55.0° |
| HB1 | CB1 | CG | CD2 | 173.3° | 175.0° |
| HB1 | CB1 | CG | HG | 66.9° | 65.0° |
| HB2 | CB1 | CG | CD11 | 68.9° | 65.0° |
| HB2 | CB1 | CG | CD2 | 53.3° | 55.0° |
| HB2 | CB1 | CG | HG | 173.1° | 175.0° |
| CD11 | CG | CD2 | HG | 119.1° | 120.0° |
| CG | CD11 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD11 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD11 | HD12 | HD13 | 120.0° | 120.0° |
| CD11 | CG | CD2 | HD21 | 51.9° | 60.0° |
| CD11 | CG | CD2 | HD22 | 68.1° | 180.0° |
| CD11 | CG | CD2 | HD23 | 171.9° | 60.0° |
| CD2 | CG | CD11 | HD11 | 53.2° | 60.0° |
| CD2 | CG | CD11 | HD12 | 173.2° | 60.0° |
| CD2 | CG | CD11 | HD13 | 66.8° | 180.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.1° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG | CD11 | HD11 | 67.5° | 180.0° |
| HG | CG | CD11 | HD12 | 52.5° | 60.0° |
| HG | CG | CD11 | HD13 | 172.5° | 60.0° |
| HG | CG | CD2 | HD21 | 67.2° | 180.0° |
| HG | CG | CD2 | HD22 | 172.8° | 59.9° |
| HG | CG | CD2 | HD23 | 52.8° | 60.1° |
| HD11 | CD11 | HD12 | HD13 | 120.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 119.9° |
| OH | CH | CM | HC | 122.9° | 120.0° |
| OH | CH | CM | C | 163.7° | 65.0° |
| OH | CH | CM | HM1 | 43.7° | 55.0° |
| OH | CH | CM | HM2 | 76.3° | 175.1° |
| CM | CH | OH | HH | 62.4° | 60.0° |
| CH | CM | C | HM1 | 120.0° | 120.0° |
| CH | CM | C | HM2 | 120.0° | 120.0° |
| CH | CM | HM1 | HM2 | 121.3° | 120.0° |
| CH | CM | C | O | 91.3° | 0.0° |
| HC | CH | OH | HH | 58.5° | 180.0° |
| HC | CH | CM | C | 40.9° | 55.0° |
| HC | CH | CM | HM1 | 79.2° | 175.0° |
| HC | CH | CM | HM2 | 160.9° | 65.0° |
| C | CM | HM1 | HM2 | 121.3° | 119.9° |
| HM1 | CM | C | O | 148.7° | 120.0° |
| HM2 | CM | C | O | 28.7° | 120.0° |
| CA2 | N2 | H | C3 | 180.0° | 180.0° |
| N2 | CA2 | C1 | CB2 | 138.4° | 120.0° |
| N2 | CA2 | C1 | HA3 | 113.9° | 120.0° |
| N2 | CA2 | CB2 | HA3 | 111.9° | 119.9° |
| N2 | CA2 | C1 | O1 | 90.2° | 20.0° |
| N2 | CA2 | CB2 | CG3 | 104.5° | 65.0° |
| N2 | CA2 | CB2 | HB21 | 15.6° | 55.0° |
| CA2 | N2 | C3 | CA3 | 177.9° | 180.0° |
| CA2 | N2 | C3 | O2 | 7.8° | 0.0° |
| N2 | CA2 | CB2 | HB3 | 135.6° | 175.0° |
| H | N2 | CA2 | C1 | 43.6° | 120.0° |
| H | N2 | CA2 | CB2 | 94.7° | 120.0° |
| H | N2 | CA2 | HA3 | 157.6° | 0.0° |
| H | N2 | C3 | CA3 | 2.1° | 0.0° |
| H | N2 | C3 | O2 | 172.2° | 180.0° |
| C3 | N2 | CA2 | C1 | 136.3° | 60.0° |
| C3 | N2 | CA2 | CB2 | 85.3° | 60.0° |
| C3 | N2 | CA2 | HA3 | 22.4° | 180.0° |
| N2 | C3 | CA3 | N4 | 144.8° | 180.0° |
| N2 | C3 | CA3 | O2 | 174.5° | 179.9° |
| N2 | C3 | CA3 | CB3 | 95.1° | 59.9° |
| N2 | C3 | CA3 | HA4 | 26.8° | 60.0° |
| C1 | CA2 | CB2 | HA3 | 111.9° | 120.1° |
| C1 | CA2 | CB2 | CG3 | 119.4° | 175.0° |
| C1 | CA2 | CB2 | HB21 | 120.6° | 65.0° |
| C1 | CA2 | CB2 | HB3 | 0.6° | 55.0° |
| CB2 | CA2 | C1 | O1 | 48.2° | 100.0° |
| CA2 | CB2 | CG3 | HB21 | 120.0° | 120.0° |
| CA2 | CB2 | CG3 | HB3 | 120.0° | 120.0° |
| CA2 | CB2 | HB21 | HB3 | 120.5° | 120.0° |
| CA2 | CB2 | CG3 | CD | 167.3° | 180.0° |
| CA2 | CB2 | CG3 | HG2 | 47.3° | 60.0° |
| CA2 | CB2 | CG3 | HG3 | 72.7° | 60.0° |
| HA3 | CA2 | C1 | O1 | 155.8° | 140.0° |
| HA3 | CA2 | CB2 | CG3 | 7.5° | 54.9° |
| HA3 | CA2 | CB2 | HB21 | 127.5° | 175.0° |
| HA3 | CA2 | CB2 | HB3 | 112.5° | 65.0° |
| CG3 | CB2 | HB21 | HB3 | 120.5° | 120.0° |
| CB2 | CG3 | CD | HG2 | 120.0° | 120.0° |
| CB2 | CG3 | CD | HG3 | 120.0° | 120.0° |
| CB2 | CG3 | HG2 | HG3 | 121.9° | 120.0° |
| CB2 | CG3 | CD | CE | 55.5° | 180.0° |
| CB2 | CG3 | CD | HD24 | 64.5° | 60.0° |
| CB2 | CG3 | CD | HD31 | 175.5° | 60.0° |
| HB21 | CB2 | CG3 | CD | 72.7° | 60.0° |
| HB21 | CB2 | CG3 | HG2 | 167.3° | 180.0° |
| HB21 | CB2 | CG3 | HG3 | 47.3° | 60.0° |
| CD | CG3 | HG2 | HG3 | 121.9° | 120.0° |
| CG3 | CD | CE | HD24 | 120.0° | 120.0° |
| CG3 | CD | CE | HD31 | 120.0° | 120.0° |
| CG3 | CD | HD24 | HD31 | 123.4° | 120.0° |
| CG3 | CD | CE | NZ | 139.3° | 180.0° |
| CG3 | CD | CE | HE2 | 100.7° | 60.0° |
| CG3 | CD | CE | HE3 | 19.3° | 60.0° |
| CD | CG3 | CB2 | HB3 | 47.3° | 60.0° |
| HG2 | CG3 | CD | CE | 175.5° | 60.0° |
| HG2 | CG3 | CD | HD24 | 55.5° | 180.0° |
| HG2 | CG3 | CB2 | HB3 | 72.7° | 60.0° |
| HG2 | CG3 | CD | HD31 | 64.4° | 60.1° |
| HG3 | CG3 | CD | CE | 64.5° | 60.0° |
| HG3 | CG3 | CD | HD24 | 175.5° | 60.1° |
| HG3 | CG3 | CB2 | HB3 | 167.3° | 179.9° |
| HG3 | CG3 | CD | HD31 | 55.6° | 180.0° |
| CE | CD | HD24 | HD31 | 123.4° | 120.0° |
| CD | CE | NZ | HE2 | 120.0° | 120.0° |
| CD | CE | NZ | HE3 | 120.0° | 120.0° |
| CD | CE | HE2 | HE3 | 120.2° | 120.0° |
| CD | CE | NZ | HZ1 | 39.0° | 0.0° |
| CD | CE | NZ | C2 | 141.0° | 180.0° |
| HD24 | CD | CE | NZ | 19.3° | 60.0° |
| HD24 | CD | CE | HE2 | 139.3° | 180.0° |
| HD24 | CD | CE | HE3 | 100.7° | 60.0° |
| NZ | CE | HE2 | HE3 | 120.2° | 120.0° |
| CE | NZ | HZ1 | C2 | 180.0° | 180.0° |
| CE | NZ | C2 | S | 179.6° | 0.0° |
| CE | NZ | C2 | N3 | 0.1° | 180.0° |
| NZ | CE | CD | HD31 | 100.7° | 60.0° |
| HE2 | CE | NZ | HZ1 | 159.0° | 120.0° |
| HE2 | CE | NZ | C2 | 21.0° | 60.0° |
| HE2 | CE | CD | HD31 | 19.3° | 60.0° |
| HE3 | CE | NZ | HZ1 | 81.0° | 120.0° |
| HE3 | CE | NZ | C2 | 99.0° | 60.0° |
| HE3 | CE | CD | HD31 | 139.3° | 179.9° |
| HZ1 | NZ | C2 | S | 0.4° | 180.0° |
| HZ1 | NZ | C2 | N3 | 179.9° | 0.0° |
| NZ | C2 | S | N3 | 179.5° | 180.0° |
| NZ | C2 | N3 | CM1 | 179.6° | 180.0° |
| NZ | C2 | N3 | HN | 0.4° | 0.1° |
| S | C2 | N3 | CM1 | 0.1° | 0.0° |
| S | C2 | N3 | HN | 179.9° | 180.0° |
| C2 | N3 | CM1 | HN | 180.0° | 179.9° |
| C2 | N3 | CM1 | HM11 | 180.0° | 180.0° |
| C2 | N3 | CM1 | HM21 | 60.0° | 60.0° |
| C2 | N3 | CM1 | HM3 | 60.0° | 59.9° |
| N3 | CM1 | HM11 | HM21 | 120.0° | 120.0° |
| N3 | CM1 | HM11 | HM3 | 120.0° | 120.1° |
| N3 | CM1 | HM21 | HM3 | 120.0° | 120.0° |
| HN | N3 | CM1 | HM11 | 0.0° | 0.1° |
| HN | N3 | CM1 | HM21 | 120.0° | 120.0° |
| HN | N3 | CM1 | HM3 | 120.0° | 120.0° |
| HM11 | CM1 | HM21 | HM3 | 120.0° | 120.0° |
| CA3 | N4 | H1 | S1 | 126.3° | 180.0° |
| N4 | CA3 | C3 | CB3 | 120.1° | 120.1° |
| N4 | CA3 | C3 | HA4 | 118.0° | 120.0° |
| N4 | CA3 | CB3 | HA4 | 118.0° | 120.0° |
| N4 | CA3 | C3 | O2 | 29.8° | 0.0° |
| N4 | CA3 | CB3 | CG4 | 71.0° | 65.0° |
| N4 | CA3 | CB3 | HB22 | 49.0° | 55.0° |
| N4 | CA3 | CB3 | HB31 | 169.0° | 175.0° |
| CA3 | N4 | S1 | O11 | 60.8° | 178.5° |
| CA3 | N4 | S1 | O21 | 59.7° | 48.6° |
| CA3 | N4 | S1 | N5 | 170.2° | 65.0° |
| H1 | N4 | CA3 | C3 | 36.3° | 85.0° |
| H1 | N4 | CA3 | CB3 | 82.0° | 35.0° |
| H1 | N4 | CA3 | HA4 | 156.1° | 155.0° |
| H1 | N4 | S1 | O11 | 179.2° | 1.4° |
| H1 | N4 | S1 | O21 | 60.3° | 131.4° |
| H1 | N4 | S1 | N5 | 69.8° | 115.0° |
| S1 | N4 | CA3 | C3 | 83.7° | 94.9° |
| S1 | N4 | CA3 | CB3 | 158.0° | 145.0° |
| S1 | N4 | CA3 | HA4 | 36.1° | 25.0° |
| N4 | S1 | O11 | O21 | 126.1° | 122.9° |
| N4 | S1 | O11 | N5 | 113.2° | 114.1° |
| N4 | S1 | O21 | N5 | 127.4° | 114.1° |
| N4 | S1 | N5 | C11 | 85.6° | 90.0° |
| N4 | S1 | N5 | C21 | 161.2° | 90.0° |
| C3 | CA3 | CB3 | HA4 | 119.8° | 119.9° |
| C3 | CA3 | CB3 | CG4 | 166.9° | 175.0° |
| C3 | CA3 | CB3 | HB22 | 73.2° | 65.1° |
| C3 | CA3 | CB3 | HB31 | 46.9° | 54.9° |
| CB3 | CA3 | C3 | O2 | 90.4° | 120.0° |
| CA3 | CB3 | CG4 | HB22 | 120.0° | 120.0° |
| CA3 | CB3 | CG4 | HB31 | 120.0° | 120.1° |
| CA3 | CB3 | HB22 | HB31 | 118.3° | 120.0° |
| CA3 | CB3 | CG4 | CD12 | 75.7° | 90.0° |
| CA3 | CB3 | CG4 | CD21 | 104.5° | 90.3° |
| HA4 | CA3 | C3 | O2 | 147.8° | 120.0° |
| HA4 | CA3 | CB3 | CG4 | 47.0° | 55.0° |
| HA4 | CA3 | CB3 | HB22 | 167.0° | 175.0° |
| HA4 | CA3 | CB3 | HB31 | 72.9° | 65.0° |
| CG4 | CB3 | HB22 | HB31 | 118.2° | 120.0° |
| CB3 | CG4 | CD12 | CD21 | 179.8° | 179.7° |
| CB3 | CG4 | CD12 | CE1 | 180.0° | 180.0° |
| CB3 | CG4 | CD12 | HD14 | 0.1° | 0.0° |
| CB3 | CG4 | CD21 | CE2 | 179.9° | 180.0° |
| CB3 | CG4 | CD21 | HD25 | 0.2° | 0.0° |
| HB22 | CB3 | CG4 | CD12 | 44.3° | 30.0° |
| HB22 | CB3 | CG4 | CD21 | 135.5° | 149.7° |
| HB31 | CB3 | CG4 | CD12 | 164.3° | 150.0° |
| HB31 | CB3 | CG4 | CD21 | 15.5° | 29.8° |
| CG4 | CD12 | CE1 | HD14 | 180.0° | 180.0° |
| CD12 | CG4 | CD21 | CE2 | 0.0° | 0.3° |
| CD12 | CG4 | CD21 | HD25 | 180.0° | 179.7° |
| CG4 | CD12 | CE1 | CZ | 0.3° | 0.0° |
| CG4 | CD12 | CE1 | HE1 | 179.7° | 180.0° |
| CD21 | CG4 | CD12 | CE1 | 0.2° | 0.3° |
| CD21 | CG4 | CD12 | HD14 | 179.8° | 179.7° |
| CG4 | CD21 | CE2 | HD25 | 180.0° | 180.0° |
| CG4 | CD21 | CE2 | CZ | 0.1° | 0.0° |
| CG4 | CD21 | CE2 | HE21 | 179.9° | 180.0° |
| CD12 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD12 | CE1 | CZ | CE2 | 0.2° | 0.2° |
| CD12 | CE1 | CZ | HZ | 179.8° | 180.0° |
| HD14 | CD12 | CE1 | CZ | 179.7° | 180.0° |
| HD14 | CD12 | CE1 | HE1 | 0.3° | 0.0° |
| CD21 | CE2 | CZ | CE1 | 0.0° | 0.2° |
| CD21 | CE2 | CZ | HE21 | 180.0° | 180.0° |
| CD21 | CE2 | CZ | HZ | 180.0° | 180.0° |
| HD25 | CD21 | CE2 | CZ | 179.9° | 179.9° |
| HD25 | CD21 | CE2 | HE21 | 0.1° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
| CE1 | CZ | CE2 | HE21 | 180.0° | 179.8° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 179.8° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.0° |
| HE21 | CE2 | CZ | HZ | 0.0° | 0.0° |
| O11 | S1 | O21 | N5 | 113.8° | 123.0° |
| O11 | S1 | N5 | C11 | 25.4° | 23.6° |
| O11 | S1 | N5 | C21 | 87.7° | 156.4° |
| O21 | S1 | N5 | C11 | 142.5° | 156.5° |
| O21 | S1 | N5 | C21 | 29.3° | 23.5° |
| S1 | N5 | C11 | C21 | 114.7° | 180.0° |
| S1 | N5 | C11 | H11 | 180.0° | 90.0° |
| S1 | N5 | C11 | H12 | 60.0° | 150.0° |
| S1 | N5 | C11 | H13 | 60.0° | 30.0° |
| S1 | N5 | C21 | H21 | 180.0° | 0.0° |
| S1 | N5 | C21 | H22 | 60.0° | 120.0° |
| S1 | N5 | C21 | H23 | 60.0° | 120.0° |
| N5 | C11 | H11 | H12 | 120.0° | 120.0° |
| N5 | C11 | H11 | H13 | 120.0° | 120.0° |
| N5 | C11 | H12 | H13 | 120.0° | 120.0° |
| C11 | N5 | C21 | H21 | 65.8° | 180.0° |
| C11 | N5 | C21 | H22 | 54.2° | 60.0° |
| C11 | N5 | C21 | H23 | 174.2° | 60.0° |
| C21 | N5 | C11 | H11 | 65.3° | 90.0° |
| C21 | N5 | C11 | H12 | 174.7° | 30.0° |
| C21 | N5 | C11 | H13 | 54.7° | 150.0° |
| N5 | C21 | H21 | H22 | 120.0° | 120.0° |
| N5 | C21 | H21 | H23 | 120.0° | 120.1° |
| N5 | C21 | H22 | H23 | 120.0° | 120.0° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H21 | C21 | H22 | H23 | 120.0° | 119.9° |
