PRD_000638
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | P | sing | 1.61Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| P | O1P | doub | 1.48Å | 1.55Å | |
| P | O2P | sing | 1.61Å | 1.46Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| CB | CG | sing | 1.53Å | 1.58Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.53Å | 1.55Å | |
| CG | CD2 | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | 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 | |
| N1 | CA1 | sing | 1.47Å | 1.47Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| CA1 | C7 | sing | 1.51Å | 1.55Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C7 | O6 | doub | 1.21Å | 1.27Å | |
| C7 | OXT | sing | 1.34Å | 1.30Å | |
| CB1 | CG1 | sing | 1.51Å | 1.47Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | CD11 | doub | 1.34Å | 1.36Å | Aromatic |
| CG1 | CD21 | sing | 1.47Å | 1.43Å | Aromatic |
| CD11 | NE1 | sing | 1.37Å | 1.36Å | Aromatic |
| CD11 | HD1 | sing | 1.08Å | 1.08Å | |
| CD21 | CE2 | doub | 1.41Å | 1.43Å | Aromatic |
| CD21 | CE3 | sing | 1.40Å | 1.41Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.36Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CE2 | CZ2 | sing | 1.39Å | 1.38Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.38Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ2 | CH2 | doub | 1.38Å | 1.38Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.42Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| P | N | sing | 1.68Å | 1.42Å | |
| C | N1 | sing | 1.35Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 97.0° | 109.5° |
| O1 | C1 | O5 | 111.4° | 109.5° |
| O1 | C1 | H1 | 117.4° | 109.5° |
| C1 | O1 | P | 130.2° | 123.0° |
| C2 | C1 | O5 | 112.9° | 109.5° |
| C2 | C1 | H1 | 115.9° | 109.5° |
| C1 | C2 | O2 | 113.8° | 109.5° |
| C1 | C2 | C3 | 105.7° | 109.1° |
| C1 | C2 | H2 | 107.1° | 109.6° |
| O5 | C1 | H1 | 102.7° | 109.5° |
| C1 | O5 | C5 | 116.8° | 114.1° |
| O1 | P | O1P | 116.0° | 109.5° |
| O1 | P | O2P | 113.7° | 109.5° |
| O1 | P | N | 105.6° | 109.5° |
| O2 | C2 | C3 | 102.3° | 109.5° |
| O2 | C2 | H2 | 110.2° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 117.9° | 109.5° |
| C2 | C3 | O3 | 100.5° | 109.5° |
| C2 | C3 | C4 | 105.4° | 109.0° |
| C2 | C3 | H3 | 119.1° | 109.5° |
| O3 | C3 | C4 | 114.0° | 109.5° |
| O3 | C3 | H3 | 111.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 106.8° | 109.6° |
| C3 | C4 | O4 | 111.4° | 109.5° |
| C3 | C4 | C5 | 108.7° | 109.2° |
| C3 | C4 | H4 | 109.8° | 109.5° |
| O4 | C4 | C5 | 112.8° | 109.5° |
| O4 | C4 | H4 | 105.6° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 108.4° | 109.6° |
| C4 | C5 | O5 | 105.6° | 109.4° |
| C4 | C5 | C6 | 116.8° | 109.5° |
| C4 | C5 | H5 | 108.9° | 109.4° |
| O5 | C5 | C6 | 113.9° | 109.5° |
| O5 | C5 | H5 | 112.1° | 109.5° |
| C6 | C5 | H5 | 99.6° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| O1P | P | O2P | 107.1° | 109.5° |
| O1P | P | N | 103.5° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O2P | P | N | 110.3° | 109.4° |
| CA | N | H | 103.8° | 111.0° |
| N | CA | C | 117.3° | 109.5° |
| N | CA | CB | 112.9° | 109.5° |
| N | CA | HA | 100.6° | 109.4° |
| CA | N | P | 127.5° | 111.0° |
| H | N | P | 103.8° | 110.9° |
| C | CA | CB | 108.0° | 109.5° |
| C | CA | HA | 106.3° | 109.4° |
| CA | C | O | 114.7° | 120.0° |
| CA | C | N1 | 117.9° | 120.0° |
| CB | CA | HA | 111.3° | 109.5° |
| CA | CB | CG | 113.7° | 109.5° |
| CA | CB | HB2 | 108.1° | 109.5° |
| CA | CB | HB3 | 107.1° | 109.5° |
| O | C | N1 | 127.4° | 120.0° |
| CG | CB | HB2 | 108.1° | 109.4° |
| CG | CB | HB3 | 107.1° | 109.5° |
| CB | CG | CD1 | 118.4° | 109.5° |
| CB | CG | CD2 | 112.8° | 109.5° |
| CB | CG | HG | 99.0° | 109.5° |
| HB2 | CB | HB3 | 112.9° | 109.5° |
| CD1 | CG | CD2 | 104.8° | 109.5° |
| CD1 | CG | HG | 107.9° | 109.4° |
| CG | CD1 | HD11 | 109.5° | 109.4° |
| CG | CD1 | HD12 | 109.4° | 109.5° |
| CG | CD1 | HD13 | 109.4° | 109.5° |
| CD2 | CG | HG | 114.1° | 109.5° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.4° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.4° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HD21 | CD2 | HD23 | 109.5° | 109.5° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
| CA1 | N1 | H6 | 116.4° | 120.0° |
| N1 | CA1 | C7 | 113.6° | 109.4° |
| N1 | CA1 | CB1 | 108.3° | 109.4° |
| N1 | CA1 | HA1 | 110.4° | 109.5° |
| CA1 | N1 | C | 127.3° | 120.0° |
| H6 | N1 | C | 116.4° | 120.0° |
| C7 | CA1 | CB1 | 116.7° | 109.5° |
| C7 | CA1 | HA1 | 100.5° | 109.5° |
| CA1 | C7 | O6 | 111.6° | 120.0° |
| CA1 | C7 | OXT | 120.4° | 120.0° |
| CB1 | CA1 | HA1 | 106.8° | 109.5° |
| CA1 | CB1 | CG1 | 113.0° | 109.5° |
| CA1 | CB1 | HB21 | 108.3° | 109.5° |
| CA1 | CB1 | HB31 | 107.5° | 109.5° |
| O6 | C7 | OXT | 128.0° | 120.0° |
| C7 | OXT | HXT | 109.5° | 117.0° |
| CG1 | CB1 | HB21 | 108.3° | 109.4° |
| CG1 | CB1 | HB31 | 107.5° | 109.5° |
| CB1 | CG1 | CD11 | 125.8° | 126.5° |
| CB1 | CG1 | CD21 | 127.3° | 126.5° |
| HB21 | CB1 | HB31 | 112.3° | 109.5° |
| CD11 | CG1 | CD21 | 106.9° | 107.0° |
| CG1 | CD11 | NE1 | 110.8° | 109.9° |
| CG1 | CD11 | HD1 | 124.6° | 125.0° |
| CG1 | CD21 | CE2 | 105.8° | 106.0° |
| CG1 | CD21 | CE3 | 133.7° | 134.0° |
| NE1 | CD11 | HD1 | 124.6° | 125.1° |
| CD11 | NE1 | CE2 | 108.4° | 109.9° |
| CD11 | NE1 | HE1 | 125.8° | 125.0° |
| CE2 | CD21 | CE3 | 120.5° | 120.0° |
| CD21 | CE2 | NE1 | 108.1° | 107.2° |
| CD21 | CE2 | CZ2 | 122.9° | 119.3° |
| CD21 | CE3 | CZ3 | 116.4° | 119.7° |
| CD21 | CE3 | HE3 | 121.8° | 120.1° |
| CE2 | NE1 | HE1 | 125.8° | 125.1° |
| NE1 | CE2 | CZ2 | 129.0° | 133.5° |
| CE2 | CZ2 | CH2 | 115.6° | 119.8° |
| CE2 | CZ2 | HZ2 | 122.2° | 120.1° |
| CZ3 | CE3 | HE3 | 121.8° | 120.1° |
| CE3 | CZ3 | CH2 | 121.9° | 120.6° |
| CE3 | CZ3 | HZ3 | 119.0° | 119.7° |
| CH2 | CZ2 | HZ2 | 122.2° | 120.1° |
| CZ2 | CH2 | CZ3 | 122.6° | 120.7° |
| CZ2 | CH2 | HH2 | 118.7° | 119.7° |
| CH2 | CZ3 | HZ3 | 119.0° | 119.7° |
| CZ3 | CH2 | HH2 | 118.7° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 116.8° | 120.0° |
| O1 | C1 | C2 | H1 | 125.1° | 120.0° |
| O1 | C1 | O5 | H1 | 126.5° | 120.0° |
| O1 | C1 | C2 | O2 | 170.4° | 177.7° |
| O1 | C1 | C2 | C3 | 58.9° | 62.4° |
| O1 | C1 | C2 | H2 | 67.5° | 57.5° |
| O1 | C1 | O5 | C5 | 56.2° | 58.8° |
| C1 | O1 | P | O1P | 47.9° | 51.3° |
| C1 | O1 | P | O2P | 172.8° | 171.3° |
| C1 | O1 | P | N | 66.2° | 68.7° |
| C2 | C1 | O5 | H1 | 125.6° | 120.0° |
| C2 | C1 | O1 | P | 105.2° | 145.9° |
| C1 | C2 | O2 | C3 | 113.5° | 119.7° |
| C1 | C2 | O2 | H2 | 120.4° | 120.2° |
| C1 | C2 | C3 | H2 | 119.6° | 120.0° |
| C1 | C2 | O2 | HO2 | 43.5° | 60.1° |
| C1 | C2 | C3 | O3 | 174.1° | 176.8° |
| C1 | C2 | C3 | C4 | 67.2° | 57.0° |
| C1 | C2 | C3 | H3 | 52.5° | 63.0° |
| C2 | C1 | O5 | C5 | 51.7° | 61.2° |
| O5 | C1 | O1 | P | 136.8° | 94.1° |
| O5 | C1 | C2 | O2 | 53.6° | 62.3° |
| O5 | C1 | C2 | C3 | 57.8° | 57.6° |
| O5 | C1 | C2 | H2 | 175.7° | 177.6° |
| C1 | O5 | C5 | C4 | 50.1° | 61.1° |
| C1 | O5 | C5 | C6 | 179.5° | 178.9° |
| C1 | O5 | C5 | H5 | 68.4° | 58.8° |
| H1 | C1 | O1 | P | 18.9° | 25.9° |
| H1 | C1 | C2 | O2 | 64.5° | 57.7° |
| H1 | C1 | C2 | C3 | 176.0° | 177.6° |
| H1 | C1 | C2 | H2 | 57.6° | 62.4° |
| H1 | C1 | O5 | C5 | 177.3° | 178.9° |
| O1 | P | O1P | O2P | 128.2° | 120.0° |
| O1 | P | O1P | N | 115.2° | 120.0° |
| O1 | P | O2P | N | 118.4° | 120.0° |
| O1 | P | O2P | HOP2 | 128.9° | 60.0° |
| O1 | P | N | CA | 147.9° | 135.5° |
| O1 | P | N | H | 27.9° | 11.6° |
| O2 | C2 | C3 | H2 | 121.0° | 120.1° |
| O2 | C2 | C3 | O3 | 66.6° | 56.9° |
| O2 | C2 | C3 | C4 | 52.2° | 62.9° |
| O2 | C2 | C3 | H3 | 171.9° | 177.1° |
| C3 | C2 | O2 | HO2 | 69.9° | 179.7° |
| C2 | C3 | O3 | C4 | 112.2° | 119.5° |
| C2 | C3 | O3 | H3 | 127.0° | 120.2° |
| C2 | C3 | C4 | H3 | 127.6° | 119.9° |
| C2 | C3 | O3 | HO3 | 38.9° | 60.0° |
| C2 | C3 | C4 | O4 | 163.6° | 176.9° |
| C2 | C3 | C4 | C5 | 71.5° | 57.0° |
| C2 | C3 | C4 | H4 | 47.0° | 63.0° |
| H2 | C2 | O2 | HO2 | 163.9° | 60.1° |
| H2 | C2 | C3 | O3 | 54.5° | 63.2° |
| H2 | C2 | C3 | C4 | 173.2° | 177.0° |
| H2 | C2 | C3 | H3 | 67.1° | 57.0° |
| O3 | C3 | C4 | H3 | 123.2° | 120.3° |
| O3 | C3 | C4 | O4 | 54.3° | 63.3° |
| O3 | C3 | C4 | C5 | 179.2° | 176.8° |
| O3 | C3 | C4 | H4 | 62.3° | 56.9° |
| C4 | C3 | O3 | HO3 | 151.1° | 179.6° |
| C3 | C4 | O4 | C5 | 122.6° | 119.7° |
| C3 | C4 | O4 | H4 | 119.2° | 120.2° |
| C3 | C4 | C5 | H4 | 119.4° | 119.9° |
| C3 | C4 | O4 | HO4 | 13.8° | 180.0° |
| C3 | C4 | C5 | O5 | 59.4° | 57.6° |
| C3 | C4 | C5 | C6 | 172.9° | 177.6° |
| C3 | C4 | C5 | H5 | 61.2° | 62.4° |
| H3 | C3 | O3 | HO3 | 88.2° | 60.2° |
| H3 | C3 | C4 | O4 | 68.8° | 57.0° |
| H3 | C3 | C4 | C5 | 56.1° | 62.9° |
| H3 | C3 | C4 | H4 | 174.5° | 177.1° |
| O4 | C4 | C5 | H4 | 116.5° | 120.2° |
| O4 | C4 | C5 | O5 | 176.5° | 177.5° |
| O4 | C4 | C5 | C6 | 48.8° | 62.5° |
| O4 | C4 | C5 | H5 | 62.9° | 57.5° |
| C5 | C4 | O4 | HO4 | 136.4° | 60.4° |
| C4 | C5 | O5 | C6 | 129.4° | 120.0° |
| C4 | C5 | O5 | H5 | 118.5° | 119.9° |
| C4 | C5 | C6 | H5 | 117.0° | 119.9° |
| C4 | C5 | C6 | H61 | 39.0° | 60.0° |
| C4 | C5 | C6 | H62 | 159.1° | 180.0° |
| C4 | C5 | C6 | H63 | 81.0° | 60.0° |
| H4 | C4 | O4 | HO4 | 105.4° | 59.8° |
| H4 | C4 | C5 | O5 | 60.0° | 62.3° |
| H4 | C4 | C5 | C6 | 67.7° | 57.7° |
| H4 | C4 | C5 | H5 | 179.5° | 177.7° |
| O5 | C5 | C6 | H5 | 119.5° | 120.1° |
| O5 | C5 | C6 | H61 | 162.6° | 180.0° |
| O5 | C5 | C6 | H62 | 77.4° | 60.0° |
| O5 | C5 | C6 | H63 | 42.6° | 59.9° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 119.9° |
| H5 | C5 | C6 | H61 | 77.9° | 60.0° |
| H5 | C5 | C6 | H62 | 42.1° | 60.1° |
| H5 | C5 | C6 | H63 | 162.1° | 180.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| O1P | P | O2P | N | 112.0° | 120.0° |
| O1P | P | O2P | HOP2 | 101.6° | 180.0° |
| O1P | P | N | CA | 25.5° | 15.5° |
| O1P | P | N | H | 94.5° | 108.4° |
| O2P | P | N | CA | 88.9° | 104.5° |
| O2P | P | N | H | 151.2° | 131.6° |
| HOP2 | O2P | P | N | 10.4° | 60.0° |
| CA | N | H | P | 135.0° | 123.9° |
| N | CA | C | CB | 128.9° | 120.0° |
| N | CA | C | HA | 111.5° | 120.0° |
| N | CA | CB | HA | 112.3° | 120.0° |
| N | CA | C | O | 150.8° | 0.1° |
| N | CA | CB | CG | 180.0° | 66.6° |
| N | CA | CB | HB2 | 60.1° | 53.4° |
| N | CA | CB | HB3 | 61.8° | 173.4° |
| N | CA | C | N1 | 30.1° | 180.0° |
| H | N | CA | C | 15.1° | 0.0° |
| H | N | CA | CB | 111.5° | 120.1° |
| H | N | CA | HA | 129.8° | 119.9° |
| C | CA | CB | HA | 116.3° | 120.0° |
| CA | C | O | N1 | 179.1° | 179.9° |
| C | CA | CB | CG | 48.6° | 173.3° |
| C | CA | CB | HB2 | 168.5° | 66.7° |
| C | CA | CB | HB3 | 69.6° | 53.3° |
| CA | C | N1 | CA1 | 176.7° | 180.0° |
| CA | C | N1 | H6 | 3.3° | 0.0° |
| C | CA | N | P | 104.9° | 123.9° |
| CB | CA | C | O | 80.3° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 118.1° | 120.0° |
| CA | CB | HB2 | HB3 | 118.3° | 120.0° |
| CA | CB | CG | CD1 | 64.6° | 177.3° |
| CA | CB | CG | CD2 | 172.4° | 57.3° |
| CA | CB | CG | HG | 51.4° | 62.8° |
| CB | CA | N | P | 128.5° | 116.0° |
| CB | CA | C | N1 | 98.9° | 59.9° |
| HA | CA | C | O | 39.3° | 120.0° |
| HA | CA | CB | CG | 67.8° | 53.3° |
| HA | CA | CB | HB2 | 52.2° | 173.3° |
| HA | CA | CB | HB3 | 174.1° | 66.7° |
| HA | CA | N | P | 9.8° | 3.9° |
| HA | CA | C | N1 | 141.5° | 60.1° |
| O | C | N1 | CA1 | 4.2° | 0.1° |
| O | C | N1 | H6 | 175.7° | 179.9° |
| CG | CB | HB2 | HB3 | 118.3° | 120.0° |
| CB | CG | CD1 | CD2 | 126.9° | 120.0° |
| CB | CG | CD1 | HG | 111.2° | 120.0° |
| CB | CG | CD2 | HG | 112.0° | 120.0° |
| CB | CG | CD1 | HD11 | 37.2° | 64.9° |
| CB | CG | CD1 | HD12 | 82.9° | 175.1° |
| CB | CG | CD1 | HD13 | 157.1° | 55.1° |
| CB | CG | CD2 | HD21 | 174.2° | 65.7° |
| CB | CG | CD2 | HD22 | 54.2° | 174.4° |
| CB | CG | CD2 | HD23 | 65.8° | 54.4° |
| HB2 | CB | CG | CD1 | 55.3° | 62.8° |
| HB2 | CB | CG | CD2 | 67.6° | 177.2° |
| HB2 | CB | CG | HG | 171.4° | 57.2° |
| HB3 | CB | CG | CD1 | 177.2° | 57.3° |
| HB3 | CB | CG | CD2 | 54.3° | 62.8° |
| HB3 | CB | CG | HG | 66.7° | 177.2° |
| CD1 | CG | CD2 | HG | 117.8° | 120.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 119.9° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 43.9° | 174.3° |
| CD1 | CG | CD2 | HD22 | 76.0° | 54.3° |
| CD1 | CG | CD2 | HD23 | 164.0° | 65.7° |
| CD2 | CG | CD1 | HD11 | 164.1° | 55.1° |
| CD2 | CG | CD1 | HD12 | 44.0° | 64.9° |
| CD2 | CG | CD1 | HD13 | 76.0° | 175.1° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG | CD1 | HD11 | 74.0° | 175.1° |
| HG | CG | CD1 | HD12 | 166.0° | 55.2° |
| HG | CG | CD1 | HD13 | 45.9° | 64.8° |
| HG | CG | CD2 | HD21 | 73.9° | 54.3° |
| HG | CG | CD2 | HD22 | 166.1° | 65.6° |
| HG | CG | CD2 | HD23 | 46.1° | 174.4° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| CA1 | N1 | H6 | C | 180.0° | 180.0° |
| N1 | CA1 | C7 | CB1 | 127.1° | 120.0° |
| N1 | CA1 | C7 | HA1 | 117.9° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 118.8° | 120.0° |
| N1 | CA1 | C7 | O6 | 12.3° | 0.0° |
| N1 | CA1 | C7 | OXT | 168.3° | 180.0° |
| N1 | CA1 | CB1 | CG1 | 73.9° | 65.0° |
| N1 | CA1 | CB1 | HB21 | 166.1° | 55.0° |
| N1 | CA1 | CB1 | HB31 | 44.6° | 175.0° |
| H6 | N1 | CA1 | C7 | 11.2° | 95.0° |
| H6 | N1 | CA1 | CB1 | 120.2° | 25.0° |
| H6 | N1 | CA1 | HA1 | 123.3° | 145.0° |
| C7 | CA1 | CB1 | HA1 | 111.4° | 120.1° |
| CA1 | C7 | O6 | OXT | 179.3° | 180.0° |
| C7 | CA1 | CB1 | CG1 | 55.8° | 175.0° |
| C7 | CA1 | CB1 | HB21 | 64.2° | 65.0° |
| C7 | CA1 | CB1 | HB31 | 174.3° | 55.0° |
| CA1 | C7 | OXT | HXT | 179.3° | 180.0° |
| C7 | CA1 | N1 | C | 168.8° | 85.0° |
| CB1 | CA1 | C7 | O6 | 114.9° | 120.0° |
| CB1 | CA1 | C7 | OXT | 64.5° | 60.0° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB31 | 118.5° | 120.0° |
| CA1 | CB1 | HB21 | HB31 | 118.6° | 120.0° |
| CA1 | CB1 | CG1 | CD11 | 82.0° | 94.9° |
| CA1 | CB1 | CG1 | CD21 | 96.7° | 84.7° |
| CB1 | CA1 | N1 | C | 59.8° | 155.0° |
| HA1 | CA1 | C7 | O6 | 130.2° | 120.0° |
| HA1 | CA1 | C7 | OXT | 50.4° | 60.0° |
| HA1 | CA1 | CB1 | CG1 | 167.3° | 55.0° |
| HA1 | CA1 | CB1 | HB21 | 47.3° | 175.0° |
| HA1 | CA1 | CB1 | HB31 | 74.3° | 65.0° |
| HA1 | CA1 | N1 | C | 56.7° | 35.0° |
| O6 | C7 | OXT | HXT | 0.0° | 0.0° |
| CG1 | CB1 | HB21 | HB31 | 118.5° | 120.0° |
| CB1 | CG1 | CD11 | CD21 | 178.9° | 179.7° |
| CB1 | CG1 | CD11 | NE1 | 178.6° | 180.0° |
| CB1 | CG1 | CD11 | HD1 | 1.4° | 0.1° |
| CB1 | CG1 | CD21 | CE2 | 179.1° | 180.0° |
| CB1 | CG1 | CD21 | CE3 | 1.0° | 0.1° |
| HB21 | CB1 | CG1 | CD11 | 158.0° | 145.0° |
| HB21 | CB1 | CG1 | CD21 | 23.3° | 35.4° |
| HB31 | CB1 | CG1 | CD11 | 36.4° | 25.1° |
| HB31 | CB1 | CG1 | CD21 | 144.8° | 155.3° |
| CG1 | CD11 | NE1 | HD1 | 180.0° | 179.9° |
| CD11 | CG1 | CD21 | CE2 | 0.2° | 0.3° |
| CD11 | CG1 | CD21 | CE3 | 179.9° | 179.8° |
| CG1 | CD11 | NE1 | CE2 | 0.8° | 0.2° |
| CG1 | CD11 | NE1 | HE1 | 179.2° | 179.9° |
| CD21 | CG1 | CD11 | NE1 | 0.3° | 0.3° |
| CD21 | CG1 | CD11 | HD1 | 179.7° | 179.8° |
| CG1 | CD21 | CE2 | CE3 | 179.9° | 179.9° |
| CG1 | CD21 | CE2 | NE1 | 0.7° | 0.2° |
| CG1 | CD21 | CE2 | CZ2 | 179.4° | 180.0° |
| CG1 | CD21 | CE3 | CZ3 | 178.9° | 179.9° |
| CG1 | CD21 | CE3 | HE3 | 1.1° | 0.1° |
| CD11 | NE1 | CE2 | CD21 | 0.9° | 0.0° |
| CD11 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD11 | NE1 | CE2 | CZ2 | 179.5° | 179.8° |
| HD1 | CD11 | NE1 | CE2 | 179.3° | 179.9° |
| HD1 | CD11 | NE1 | HE1 | 0.7° | 0.0° |
| CD21 | CE2 | NE1 | CZ2 | 178.6° | 179.8° |
| CD21 | CE2 | NE1 | HE1 | 179.1° | 179.9° |
| CE2 | CD21 | CE3 | CZ3 | 1.2° | 0.1° |
| CE2 | CD21 | CE3 | HE3 | 178.8° | 180.0° |
| CD21 | CE2 | CZ2 | CH2 | 0.8° | 0.0° |
| CD21 | CE2 | CZ2 | HZ2 | 179.2° | 180.0° |
| CE3 | CD21 | CE2 | NE1 | 179.4° | 179.9° |
| CE3 | CD21 | CE2 | CZ2 | 0.7° | 0.1° |
| CD21 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD21 | CE3 | CZ3 | CH2 | 1.9° | 0.0° |
| CD21 | CE3 | CZ3 | HZ3 | 178.1° | 179.9° |
| NE1 | CE2 | CZ2 | CH2 | 179.3° | 179.8° |
| NE1 | CE2 | CZ2 | HZ2 | 0.8° | 0.2° |
| HE1 | NE1 | CE2 | CZ2 | 0.5° | 0.1° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 1.5° | 0.1° |
| CE2 | CZ2 | CH2 | HH2 | 178.4° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 2.2° | 0.1° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | HH2 | 177.7° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 178.1° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 1.9° | 0.0° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | HZ3 | 177.8° | 180.0° |
| HZ2 | CZ2 | CH2 | CZ3 | 178.5° | 179.9° |
| HZ2 | CZ2 | CH2 | HH2 | 1.5° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 2.2° | 0.1° |
