0PX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | C2 | sing | 1.48Å | 1.49Å | |
| N1 | C2 | doub | 1.32Å | 1.48Å | Aromatic |
| N1 | C8A | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.49Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C4A | sing | 1.41Å | 1.48Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C4A | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4A | C8A | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C8A | doub | 1.41Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C1 | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | OD1 | doub | 1.21Å | 1.24Å | |
| CG | ND2 | sing | 1.35Å | 1.34Å | |
| ND2 | HD21 | sing | 0.97Å | 1.00Å | |
| ND2 | HD22 | sing | 0.97Å | 1.00Å | |
| N2 | CA1 | sing | 1.46Å | 1.47Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | CB1 | sing | 1.53Å | 1.39Å | |
| CA1 | CH | sing | 1.53Å | 1.54Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.53Å | 1.52Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.54Å | |
| CG1 | CD2 | sing | 1.53Å | 1.54Å | |
| CG1 | HG | sing | 1.09Å | 1.10Å | |
| CD1 | CE1 | sing | 1.53Å | 1.54Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | CE2 | sing | 1.53Å | 1.54Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| CD2 | HD24 | sing | 1.09Å | 1.10Å | |
| CE1 | CZ | sing | 1.53Å | 1.54Å | |
| CE1 | HE12 | sing | 1.09Å | 1.10Å | |
| CE1 | HE13 | sing | 1.09Å | 1.10Å | |
| CE2 | CZ | sing | 1.53Å | 1.54Å | |
| CE2 | HE23 | sing | 1.09Å | 1.10Å | |
| CE2 | HE22 | sing | 1.09Å | 1.10Å | |
| CZ | HZ2 | sing | 1.09Å | 1.10Å | |
| CZ | HZ3 | sing | 1.09Å | 1.10Å | |
| CH | OH | sing | 1.43Å | 1.25Å | |
| CH | CB11 | sing | 1.53Å | 1.52Å | |
| CH | HH | sing | 1.09Å | 1.10Å | |
| OH | HO | sing | 0.97Å | 0.95Å | |
| CB11 | CA' | sing | 1.53Å | 1.57Å | |
| CB11 | HB11 | sing | 1.09Å | 1.10Å | |
| CB11 | HB12 | sing | 1.09Å | 1.10Å | |
| CA' | CB' | sing | 1.53Å | 1.58Å | |
| CA' | C9 | sing | 1.51Å | 1.54Å | |
| CA' | HA' | sing | 1.09Å | 1.10Å | |
| CB' | CG11 | sing | 1.53Å | 1.51Å | |
| CB' | CG2 | sing | 1.53Å | 1.51Å | |
| CB' | HB' | sing | 1.09Å | 1.10Å | |
| CG11 | HG11 | sing | 1.09Å | 1.10Å | |
| CG11 | HG12 | sing | 1.09Å | 1.10Å | |
| CG11 | HG13 | 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 | |
| C9 | O2 | doub | 1.21Å | 1.25Å | |
| N3 | C11 | sing | 1.47Å | 1.48Å | |
| N3 | HN2 | sing | 0.97Å | 1.00Å | |
| C11 | C21 | sing | 1.53Å | 1.56Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | C31 | sing | 1.53Å | 1.54Å | |
| C21 | C41 | sing | 1.53Å | 1.54Å | |
| C21 | C51 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C41 | H43 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C51 | H53 | sing | 1.09Å | 1.10Å | |
| C | N | sing | 1.35Å | 1.31Å | |
| C1 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C2 | 122.8° | 120.0° |
| O | C | N | 123.5° | 120.0° |
| C | C2 | N1 | 122.9° | 119.2° |
| C | C2 | C3 | 127.6° | 119.3° |
| C2 | C | N | 113.6° | 120.0° |
| C2 | N1 | C8A | 122.3° | 121.3° |
| N1 | C2 | C3 | 109.6° | 121.5° |
| N1 | C8A | C4A | 119.6° | 120.0° |
| N1 | C8A | C8 | 120.4° | 121.0° |
| C2 | C3 | C4 | 116.6° | 119.8° |
| C2 | C3 | H3 | 121.7° | 120.1° |
| C4 | C3 | H3 | 121.7° | 120.1° |
| C3 | C4 | C4A | 111.9° | 118.3° |
| C3 | C4 | H4 | 124.1° | 120.9° |
| C4A | C4 | H4 | 124.1° | 120.8° |
| C4 | C4A | C5 | 120.3° | 121.3° |
| C4 | C4A | C8A | 120.2° | 119.1° |
| C5 | C4A | C8A | 119.4° | 119.6° |
| C4A | C5 | C6 | 120.9° | 119.6° |
| C4A | C5 | H5 | 119.6° | 120.2° |
| C4A | C8A | C8 | 120.0° | 119.0° |
| C6 | C5 | H5 | 119.5° | 120.2° |
| C5 | C6 | C7 | 119.3° | 120.9° |
| C5 | C6 | H6 | 120.4° | 119.5° |
| C7 | C6 | H6 | 120.4° | 119.6° |
| C6 | C7 | C8 | 120.0° | 121.1° |
| C6 | C7 | H7 | 120.0° | 119.5° |
| C8 | C7 | H7 | 120.0° | 119.4° |
| C7 | C8 | C8A | 120.4° | 119.7° |
| C7 | C8 | H8 | 119.8° | 120.2° |
| C8A | C8 | H8 | 119.8° | 120.1° |
| CA | N | H | 117.1° | 120.0° |
| N | CA | C1 | 103.1° | 109.5° |
| N | CA | CB | 111.1° | 109.5° |
| N | CA | HA | 114.6° | 109.5° |
| CA | N | C | 125.8° | 120.0° |
| H | N | C | 117.1° | 120.0° |
| C1 | CA | CB | 114.8° | 109.4° |
| C1 | CA | HA | 110.8° | 109.5° |
| CA | C1 | O1 | 121.4° | 120.0° |
| CA | C1 | N2 | 110.3° | 120.0° |
| CB | CA | HA | 102.8° | 109.5° |
| CA | CB | CG | 112.9° | 109.4° |
| CA | CB | HB2 | 108.3° | 109.5° |
| CA | CB | HB3 | 108.3° | 109.5° |
| O1 | C1 | N2 | 128.2° | 120.0° |
| CG | CB | HB2 | 108.3° | 109.5° |
| CG | CB | HB3 | 108.3° | 109.5° |
| CB | CG | OD1 | 117.7° | 120.0° |
| CB | CG | ND2 | 118.5° | 120.0° |
| HB2 | CB | HB3 | 110.6° | 109.5° |
| OD1 | CG | ND2 | 123.8° | 120.0° |
| CG | ND2 | HD21 | 120.0° | 120.0° |
| CG | ND2 | HD22 | 120.0° | 120.0° |
| HD21 | ND2 | HD22 | 120.0° | 119.9° |
| CA1 | N2 | H1 | 118.4° | 120.0° |
| N2 | CA1 | CB1 | 120.3° | 109.5° |
| N2 | CA1 | CH | 111.1° | 109.4° |
| N2 | CA1 | HA1 | 104.7° | 109.5° |
| CA1 | N2 | C1 | 123.3° | 120.0° |
| H1 | N2 | C1 | 118.4° | 120.0° |
| CB1 | CA1 | CH | 119.6° | 109.5° |
| CB1 | CA1 | HA1 | 90.2° | 109.5° |
| CA1 | CB1 | CG1 | 128.2° | 109.5° |
| CA1 | CB1 | HB21 | 103.6° | 109.4° |
| CA1 | CB1 | HB31 | 103.7° | 109.5° |
| CH | CA1 | HA1 | 105.9° | 109.4° |
| CA1 | CH | OH | 116.0° | 109.5° |
| CA1 | CH | CB11 | 105.9° | 109.5° |
| CA1 | CH | HH | 109.8° | 109.4° |
| CG1 | CB1 | HB21 | 103.7° | 109.5° |
| CG1 | CB1 | HB31 | 103.6° | 109.5° |
| CB1 | CG1 | CD1 | 116.9° | 109.5° |
| CB1 | CG1 | CD2 | 118.8° | 109.4° |
| CB1 | CG1 | HG | 96.2° | 109.5° |
| HB21 | CB1 | HB31 | 114.6° | 109.4° |
| CD1 | CG1 | CD2 | 112.1° | 109.5° |
| CD1 | CG1 | HG | 106.2° | 109.5° |
| CG1 | CD1 | CE1 | 114.4° | 109.5° |
| CG1 | CD1 | HD12 | 107.9° | 109.5° |
| CG1 | CD1 | HD13 | 107.9° | 109.4° |
| CD2 | CG1 | HG | 103.3° | 109.5° |
| CG1 | CD2 | CE2 | 111.2° | 109.4° |
| CG1 | CD2 | HD23 | 108.9° | 109.5° |
| CG1 | CD2 | HD24 | 108.9° | 109.5° |
| CE1 | CD1 | HD12 | 107.9° | 109.5° |
| CE1 | CD1 | HD13 | 107.9° | 109.5° |
| CD1 | CE1 | CZ | 112.6° | 109.5° |
| CD1 | CE1 | HE12 | 108.4° | 109.5° |
| CD1 | CE1 | HE13 | 108.4° | 109.5° |
| HD12 | CD1 | HD13 | 111.0° | 109.5° |
| CE2 | CD2 | HD23 | 108.9° | 109.5° |
| CE2 | CD2 | HD24 | 108.9° | 109.5° |
| CD2 | CE2 | CZ | 111.4° | 109.5° |
| CD2 | CE2 | HE23 | 108.8° | 109.5° |
| CD2 | CE2 | HE22 | 108.8° | 109.5° |
| HD23 | CD2 | HD24 | 110.1° | 109.5° |
| CZ | CE1 | HE12 | 108.5° | 109.5° |
| CZ | CE1 | HE13 | 108.4° | 109.5° |
| CE1 | CZ | CE2 | 109.1° | 109.5° |
| CE1 | CZ | HZ2 | 109.6° | 109.5° |
| CE1 | CZ | HZ3 | 109.6° | 109.5° |
| HE12 | CE1 | HE13 | 110.5° | 109.5° |
| CZ | CE2 | HE23 | 108.8° | 109.5° |
| CZ | CE2 | HE22 | 108.8° | 109.4° |
| CE2 | CZ | HZ2 | 109.6° | 109.4° |
| CE2 | CZ | HZ3 | 109.6° | 109.5° |
| HE23 | CE2 | HE22 | 110.1° | 109.4° |
| HZ2 | CZ | HZ3 | 109.4° | 109.4° |
| OH | CH | CB11 | 115.2° | 109.5° |
| OH | CH | HH | 99.1° | 109.4° |
| CH | OH | HO | 109.5° | 114.0° |
| CB11 | CH | HH | 110.7° | 109.5° |
| CH | CB11 | CA' | 112.8° | 109.5° |
| CH | CB11 | HB11 | 108.4° | 109.5° |
| CH | CB11 | HB12 | 108.4° | 109.5° |
| CA' | CB11 | HB11 | 108.4° | 109.5° |
| CA' | CB11 | HB12 | 108.4° | 109.5° |
| CB11 | CA' | CB' | 105.8° | 109.4° |
| CB11 | CA' | C9 | 109.0° | 109.5° |
| CB11 | CA' | HA' | 112.3° | 109.4° |
| HB11 | CB11 | HB12 | 110.6° | 109.5° |
| CB' | CA' | C9 | 109.9° | 109.5° |
| CB' | CA' | HA' | 111.4° | 109.5° |
| CA' | CB' | CG11 | 121.7° | 109.5° |
| CA' | CB' | CG2 | 116.4° | 109.4° |
| CA' | CB' | HB' | 93.4° | 109.5° |
| C9 | CA' | HA' | 108.4° | 109.5° |
| CA' | C9 | O2 | 122.1° | 120.0° |
| CA' | C9 | N3 | 117.3° | 120.0° |
| CG11 | CB' | CG2 | 113.8° | 109.5° |
| CG11 | CB' | HB' | 98.1° | 109.5° |
| CB' | CG11 | HG11 | 109.5° | 109.4° |
| CB' | CG11 | HG12 | 109.4° | 109.5° |
| CB' | CG11 | HG13 | 109.5° | 109.5° |
| CG2 | CB' | HB' | 107.6° | 109.4° |
| CB' | CG2 | HG21 | 109.5° | 109.5° |
| CB' | CG2 | HG22 | 109.5° | 109.4° |
| CB' | CG2 | HG23 | 109.4° | 109.4° |
| HG11 | CG11 | HG12 | 109.5° | 109.5° |
| HG11 | CG11 | HG13 | 109.5° | 109.5° |
| HG12 | CG11 | HG13 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| O2 | C9 | N3 | 120.6° | 120.0° |
| C11 | N3 | HN2 | 118.5° | 120.0° |
| N3 | C11 | C21 | 109.4° | 109.5° |
| N3 | C11 | H11 | 109.5° | 109.4° |
| N3 | C11 | H12 | 109.5° | 109.5° |
| C11 | N3 | C9 | 123.1° | 120.0° |
| HN2 | N3 | C9 | 118.5° | 120.0° |
| C21 | C11 | H11 | 109.5° | 109.5° |
| C21 | C11 | H12 | 109.5° | 109.5° |
| C11 | C21 | C31 | 112.5° | 109.5° |
| C11 | C21 | C41 | 103.6° | 109.5° |
| C11 | C21 | C51 | 111.1° | 109.5° |
| H11 | C11 | H12 | 109.4° | 109.5° |
| C31 | C21 | C41 | 107.5° | 109.5° |
| C31 | C21 | C51 | 107.4° | 109.5° |
| C21 | C31 | H31 | 109.5° | 109.5° |
| C21 | C31 | H32 | 109.4° | 109.4° |
| C21 | C31 | H33 | 109.5° | 109.5° |
| C41 | C21 | C51 | 114.7° | 109.5° |
| C21 | C41 | H41 | 109.5° | 109.5° |
| C21 | C41 | H42 | 109.5° | 109.4° |
| C21 | C41 | H43 | 109.5° | 109.5° |
| C21 | C51 | H51 | 109.5° | 109.5° |
| C21 | C51 | H52 | 109.5° | 109.5° |
| C21 | C51 | H53 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H33 | 109.4° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H41 | C41 | H42 | 109.5° | 109.5° |
| H41 | C41 | H43 | 109.5° | 109.5° |
| H42 | C41 | H43 | 109.5° | 109.5° |
| H51 | C51 | H52 | 109.5° | 109.5° |
| H51 | C51 | H53 | 109.4° | 109.5° |
| H52 | C51 | H53 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C2 | N | 179.3° | 179.7° |
| O | C | C2 | N1 | 165.8° | 180.0° |
| O | C | C2 | C3 | 16.4° | 0.0° |
| O | C | N | CA | 0.6° | 5.0° |
| O | C | N | H | 179.4° | 174.9° |
| C | C2 | N1 | C3 | 178.2° | 180.0° |
| C | C2 | N1 | C8A | 163.7° | 180.0° |
| C | C2 | C3 | C4 | 135.4° | 180.0° |
| C | C2 | C3 | H3 | 44.6° | 0.0° |
| C2 | C | N | CA | 179.9° | 174.8° |
| C2 | C | N | H | 0.1° | 5.3° |
| N1 | C2 | C3 | C4 | 46.6° | 0.0° |
| N1 | C2 | C3 | H3 | 133.4° | 180.0° |
| C2 | N1 | C8A | C4A | 2.1° | 0.0° |
| C2 | N1 | C8A | C8 | 176.6° | 179.9° |
| N1 | C2 | C | N | 14.9° | 0.3° |
| C8A | N1 | C2 | C3 | 18.1° | 0.0° |
| N1 | C8A | C4A | C4 | 2.1° | 0.0° |
| N1 | C8A | C4A | C5 | 179.6° | 180.0° |
| N1 | C8A | C4A | C8 | 178.7° | 179.9° |
| N1 | C8A | C8 | C7 | 177.4° | 180.0° |
| N1 | C8A | C8 | H8 | 2.5° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C4A | 51.6° | 0.0° |
| C2 | C3 | C4 | H4 | 128.4° | 179.9° |
| C3 | C2 | C | N | 162.9° | 179.7° |
| C3 | C4 | C4A | H4 | 180.0° | 180.0° |
| C3 | C4 | C4A | C5 | 152.9° | 180.0° |
| C3 | C4 | C4A | C8A | 28.8° | 0.0° |
| H3 | C3 | C4 | C4A | 128.4° | 180.0° |
| H3 | C3 | C4 | H4 | 51.6° | 0.0° |
| C4 | C4A | C5 | C8A | 178.3° | 180.0° |
| C4 | C4A | C5 | C6 | 178.9° | 180.0° |
| C4 | C4A | C5 | H5 | 1.1° | 0.1° |
| C4 | C4A | C8A | C8 | 179.2° | 180.0° |
| H4 | C4 | C4A | C5 | 27.1° | 0.1° |
| H4 | C4 | C4A | C8A | 151.2° | 179.9° |
| C4A | C5 | C6 | H5 | 180.0° | 179.9° |
| C4A | C5 | C6 | C7 | 2.5° | 0.1° |
| C4A | C5 | C6 | H6 | 177.5° | 180.0° |
| C5 | C4A | C8A | C8 | 0.9° | 0.1° |
| C8A | C4A | C5 | C6 | 2.8° | 0.0° |
| C8A | C4A | C5 | H5 | 177.2° | 179.9° |
| C4A | C8A | C8 | C7 | 1.2° | 0.1° |
| C4A | C8A | C8 | H8 | 178.8° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| H5 | C5 | C6 | C7 | 177.5° | 180.0° |
| H5 | C5 | C6 | H6 | 2.5° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C8A | 1.5° | 0.0° |
| C6 | C7 | C8 | H8 | 178.5° | 180.0° |
| H6 | C6 | C7 | C8 | 179.7° | 180.0° |
| H6 | C6 | C7 | H7 | 0.3° | 0.0° |
| C7 | C8 | C8A | H8 | 180.0° | 180.0° |
| H7 | C7 | C8 | C8A | 178.5° | 180.0° |
| H7 | C7 | C8 | H8 | 1.5° | 0.0° |
| CA | N | H | C | 180.0° | 179.9° |
| N | CA | C1 | CB | 121.0° | 120.0° |
| N | CA | C1 | HA | 123.1° | 120.0° |
| N | CA | CB | HA | 123.0° | 120.0° |
| N | CA | C1 | O1 | 76.0° | 0.0° |
| N | CA | CB | CG | 58.1° | 66.0° |
| N | CA | CB | HB2 | 61.9° | 54.0° |
| N | CA | CB | HB3 | 178.2° | 174.0° |
| N | CA | C1 | N2 | 101.0° | 180.0° |
| H | N | CA | C1 | 50.5° | 68.3° |
| H | N | CA | CB | 73.0° | 51.7° |
| H | N | CA | HA | 171.0° | 171.7° |
| C1 | CA | CB | HA | 120.5° | 120.0° |
| CA | C1 | O1 | N2 | 176.4° | 180.0° |
| C1 | CA | CB | CG | 174.6° | 174.0° |
| C1 | CA | CB | HB2 | 54.6° | 66.0° |
| C1 | CA | CB | HB3 | 65.4° | 54.0° |
| CA | C1 | N2 | CA1 | 177.3° | 175.0° |
| CA | C1 | N2 | H1 | 2.7° | 5.0° |
| C1 | CA | N | C | 129.5° | 111.8° |
| CB | CA | C1 | O1 | 44.9° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 118.6° | 120.0° |
| CA | CB | CG | OD1 | 89.6° | 4.1° |
| CA | CB | CG | ND2 | 91.4° | 176.0° |
| CB | CA | N | C | 107.0° | 128.2° |
| CB | CA | C1 | N2 | 138.1° | 60.0° |
| HA | CA | C1 | O1 | 160.9° | 120.0° |
| HA | CA | CB | CG | 64.9° | 54.0° |
| HA | CA | CB | HB2 | 175.1° | 174.0° |
| HA | CA | CB | HB3 | 55.1° | 66.0° |
| HA | CA | N | C | 9.0° | 8.2° |
| HA | CA | C1 | N2 | 22.1° | 60.0° |
| O1 | C1 | N2 | CA1 | 0.5° | 5.0° |
| O1 | C1 | N2 | H1 | 179.4° | 175.0° |
| CG | CB | HB2 | HB3 | 118.6° | 120.0° |
| CB | CG | OD1 | ND2 | 179.0° | 180.0° |
| CB | CG | ND2 | HD21 | 179.0° | 0.0° |
| CB | CG | ND2 | HD22 | 1.0° | 180.0° |
| HB2 | CB | CG | OD1 | 150.4° | 115.9° |
| HB2 | CB | CG | ND2 | 28.7° | 64.0° |
| HB3 | CB | CG | OD1 | 30.4° | 124.1° |
| HB3 | CB | CG | ND2 | 148.6° | 56.0° |
| OD1 | CG | ND2 | HD21 | 0.0° | 180.0° |
| OD1 | CG | ND2 | HD22 | 180.0° | 0.0° |
| CG | ND2 | HD21 | HD22 | 180.0° | 180.0° |
| CA1 | N2 | H1 | C1 | 180.0° | 180.0° |
| N2 | CA1 | CB1 | CH | 144.3° | 120.0° |
| N2 | CA1 | CB1 | HA1 | 107.2° | 120.0° |
| N2 | CA1 | CH | HA1 | 113.2° | 120.0° |
| N2 | CA1 | CB1 | CG1 | 44.5° | 174.2° |
| N2 | CA1 | CB1 | HB21 | 75.5° | 54.2° |
| N2 | CA1 | CB1 | HB31 | 164.5° | 65.7° |
| N2 | CA1 | CH | OH | 46.0° | 60.1° |
| N2 | CA1 | CH | CB11 | 83.2° | 60.0° |
| N2 | CA1 | CH | HH | 157.3° | 180.0° |
| H1 | N2 | CA1 | CB1 | 65.4° | 92.1° |
| H1 | N2 | CA1 | CH | 81.6° | 27.9° |
| H1 | N2 | CA1 | HA1 | 164.5° | 147.9° |
| CB1 | CA1 | CH | HA1 | 99.6° | 120.0° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB31 | 120.0° | 120.0° |
| CA1 | CB1 | HB21 | HB31 | 112.2° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 72.2° | 174.2° |
| CA1 | CB1 | CG1 | CD2 | 67.1° | 65.8° |
| CA1 | CB1 | CG1 | HG | 176.1° | 54.2° |
| CB1 | CA1 | CH | OH | 101.3° | 60.0° |
| CB1 | CA1 | CH | CB11 | 129.6° | 180.0° |
| CB1 | CA1 | CH | HH | 10.0° | 60.0° |
| CB1 | CA1 | N2 | C1 | 114.6° | 87.9° |
| CH | CA1 | CB1 | CG1 | 171.2° | 65.8° |
| CH | CA1 | CB1 | HB21 | 68.8° | 174.2° |
| CH | CA1 | CB1 | HB31 | 51.2° | 54.2° |
| CA1 | CH | OH | CB11 | 124.5° | 120.1° |
| CA1 | CH | OH | HH | 117.4° | 120.0° |
| CA1 | CH | CB11 | HH | 118.9° | 120.0° |
| CA1 | CH | OH | HO | 180.0° | 64.6° |
| CA1 | CH | CB11 | CA' | 149.8° | 173.6° |
| CA1 | CH | CB11 | HB11 | 90.2° | 66.4° |
| CA1 | CH | CB11 | HB12 | 29.8° | 53.6° |
| CH | CA1 | N2 | C1 | 98.4° | 152.1° |
| HA1 | CA1 | CB1 | CG1 | 62.7° | 54.2° |
| HA1 | CA1 | CB1 | HB21 | 177.3° | 65.8° |
| HA1 | CA1 | CB1 | HB31 | 57.3° | 174.2° |
| HA1 | CA1 | CH | OH | 159.1° | 180.0° |
| HA1 | CA1 | CH | CB11 | 30.0° | 60.0° |
| HA1 | CA1 | CH | HH | 89.5° | 60.0° |
| HA1 | CA1 | N2 | C1 | 15.5° | 32.2° |
| CG1 | CB1 | HB21 | HB31 | 112.2° | 120.0° |
| CB1 | CG1 | CD1 | CD2 | 142.0° | 120.0° |
| CB1 | CG1 | CD1 | HG | 105.9° | 120.0° |
| CB1 | CG1 | CD2 | HG | 104.9° | 120.0° |
| CB1 | CG1 | CD1 | CE1 | 170.2° | NaN° |
| CB1 | CG1 | CD1 | HD12 | 69.7° | 60.0° |
| CB1 | CG1 | CD1 | HD13 | 50.2° | 60.0° |
| CB1 | CG1 | CD2 | CE2 | 167.2° | 180.0° |
| CB1 | CG1 | CD2 | HD23 | 47.2° | 60.0° |
| CB1 | CG1 | CD2 | HD24 | 72.8° | 60.0° |
| HB21 | CB1 | CG1 | CD1 | 47.7° | 65.8° |
| HB21 | CB1 | CG1 | CD2 | 172.9° | 54.2° |
| HB21 | CB1 | CG1 | HG | 63.9° | 174.2° |
| HB31 | CB1 | CG1 | CD1 | 167.7° | 54.2° |
| HB31 | CB1 | CG1 | CD2 | 52.9° | 174.2° |
| HB31 | CB1 | CG1 | HG | 56.1° | 65.8° |
| CD1 | CG1 | CD2 | HG | 113.9° | 120.0° |
| CG1 | CD1 | CE1 | HD12 | 120.0° | 120.0° |
| CG1 | CD1 | CE1 | HD13 | 120.0° | 120.0° |
| CG1 | CD1 | HD12 | HD13 | 118.0° | 120.0° |
| CD1 | CG1 | CD2 | CE2 | 51.6° | 60.0° |
| CD1 | CG1 | CD2 | HD23 | 171.6° | 180.0° |
| CD1 | CG1 | CD2 | HD24 | 68.4° | 60.0° |
| CG1 | CD1 | CE1 | CZ | 49.6° | 60.0° |
| CG1 | CD1 | CE1 | HE12 | 169.6° | 180.0° |
| CG1 | CD1 | CE1 | HE13 | 70.4° | 60.0° |
| CD2 | CG1 | CD1 | CE1 | 47.8° | 60.0° |
| CD2 | CG1 | CD1 | HD12 | 72.3° | 60.0° |
| CD2 | CG1 | CD1 | HD13 | 167.8° | 180.0° |
| CG1 | CD2 | CE2 | HD23 | 120.0° | 120.0° |
| CG1 | CD2 | CE2 | HD24 | 120.0° | 120.0° |
| CG1 | CD2 | HD23 | HD24 | 119.3° | 120.0° |
| CG1 | CD2 | CE2 | CZ | 58.6° | 60.0° |
| CG1 | CD2 | CE2 | HE23 | 61.4° | 60.0° |
| CG1 | CD2 | CE2 | HE22 | 178.6° | 180.0° |
| HG | CG1 | CD1 | CE1 | 64.4° | 60.0° |
| HG | CG1 | CD1 | HD12 | 175.6° | 180.0° |
| HG | CG1 | CD1 | HD13 | 55.6° | 60.0° |
| HG | CG1 | CD2 | CE2 | 62.3° | 60.0° |
| HG | CG1 | CD2 | HD23 | 57.7° | 60.0° |
| HG | CG1 | CD2 | HD24 | 177.7° | NaN° |
| CE1 | CD1 | HD12 | HD13 | 118.0° | 120.0° |
| CD1 | CE1 | CZ | HE12 | 120.0° | 120.0° |
| CD1 | CE1 | CZ | HE13 | 120.0° | 120.0° |
| CD1 | CE1 | HE12 | HE13 | 118.7° | 120.0° |
| CD1 | CE1 | CZ | CE2 | 54.1° | 59.9° |
| CD1 | CE1 | CZ | HZ2 | 65.9° | 60.0° |
| CD1 | CE1 | CZ | HZ3 | 174.1° | 180.0° |
| HD12 | CD1 | CE1 | CZ | 70.4° | 60.0° |
| HD12 | CD1 | CE1 | HE12 | 49.6° | 60.0° |
| HD12 | CD1 | CE1 | HE13 | 169.6° | 180.0° |
| HD13 | CD1 | CE1 | CZ | 169.6° | 180.0° |
| HD13 | CD1 | CE1 | HE12 | 70.4° | 60.0° |
| HD13 | CD1 | CE1 | HE13 | 49.6° | 60.0° |
| CE2 | CD2 | HD23 | HD24 | 119.3° | 120.0° |
| CD2 | CE2 | CZ | CE1 | 59.0° | 60.0° |
| CD2 | CE2 | CZ | HE23 | 120.0° | 120.0° |
| CD2 | CE2 | CZ | HE22 | 120.0° | 120.0° |
| CD2 | CE2 | HE23 | HE22 | 119.2° | 120.0° |
| CD2 | CE2 | CZ | HZ2 | 60.9° | 60.0° |
| CD2 | CE2 | CZ | HZ3 | 179.1° | 180.0° |
| HD23 | CD2 | CE2 | CZ | 178.6° | 180.0° |
| HD23 | CD2 | CE2 | HE23 | 58.6° | 60.0° |
| HD23 | CD2 | CE2 | HE22 | 61.4° | 60.0° |
| HD24 | CD2 | CE2 | CZ | 61.4° | 60.0° |
| HD24 | CD2 | CE2 | HE23 | 178.6° | 180.0° |
| HD24 | CD2 | CE2 | HE22 | 58.6° | 60.0° |
| CZ | CE1 | HE12 | HE13 | 118.7° | 120.0° |
| CE1 | CZ | CE2 | HZ2 | 120.0° | 120.0° |
| CE1 | CZ | CE2 | HZ3 | 120.0° | 120.1° |
| CE1 | CZ | CE2 | HE23 | 61.0° | 60.1° |
| CE1 | CZ | CE2 | HE22 | 179.1° | 180.0° |
| CE1 | CZ | HZ2 | HZ3 | 120.1° | 120.0° |
| HE12 | CE1 | CZ | CE2 | 174.1° | 180.0° |
| HE12 | CE1 | CZ | HZ2 | 54.1° | 60.0° |
| HE12 | CE1 | CZ | HZ3 | 65.9° | 60.0° |
| HE13 | CE1 | CZ | CE2 | 65.9° | 60.0° |
| HE13 | CE1 | CZ | HZ2 | 174.1° | 180.0° |
| HE13 | CE1 | CZ | HZ3 | 54.1° | 60.0° |
| CZ | CE2 | HE23 | HE22 | 119.2° | 119.9° |
| CE2 | CZ | HZ2 | HZ3 | 120.1° | 120.0° |
| HE23 | CE2 | CZ | HZ2 | 179.1° | 180.0° |
| HE23 | CE2 | CZ | HZ3 | 59.1° | 60.0° |
| HE22 | CE2 | CZ | HZ2 | 59.1° | 60.0° |
| HE22 | CE2 | CZ | HZ3 | 60.9° | 59.9° |
| OH | CH | CB11 | HH | 111.5° | 120.0° |
| OH | CH | CB11 | CA' | 80.6° | 66.4° |
| OH | CH | CB11 | HB11 | 39.4° | 53.6° |
| OH | CH | CB11 | HB12 | 159.4° | 173.6° |
| CB11 | CH | OH | HO | 55.5° | 55.5° |
| CH | CB11 | CA' | HB11 | 120.0° | 120.0° |
| CH | CB11 | CA' | HB12 | 120.0° | 120.0° |
| CH | CB11 | HB11 | HB12 | 118.6° | 120.0° |
| CH | CB11 | CA' | CB' | 141.0° | 67.6° |
| CH | CB11 | CA' | C9 | 100.8° | 172.4° |
| CH | CB11 | CA' | HA' | 19.3° | 52.4° |
| HH | CH | OH | HO | 62.6° | 175.4° |
| HH | CH | CB11 | CA' | 30.9° | 53.6° |
| HH | CH | CB11 | HB11 | 150.8° | 173.6° |
| HH | CH | CB11 | HB12 | 89.1° | 66.4° |
| CA' | CB11 | HB11 | HB12 | 118.6° | 120.0° |
| CB11 | CA' | CB' | C9 | 117.6° | 120.0° |
| CB11 | CA' | CB' | HA' | 122.3° | 119.9° |
| CB11 | CA' | C9 | HA' | 122.5° | 120.0° |
| CB11 | CA' | CB' | CG11 | 147.4° | 60.6° |
| CB11 | CA' | CB' | CG2 | 65.8° | 179.5° |
| CB11 | CA' | CB' | HB' | 45.8° | 59.5° |
| CB11 | CA' | C9 | O2 | 50.4° | 10.8° |
| CB11 | CA' | C9 | N3 | 131.7° | 169.2° |
| HB11 | CB11 | CA' | CB' | 21.0° | 52.4° |
| HB11 | CB11 | CA' | C9 | 139.2° | 67.6° |
| HB11 | CB11 | CA' | HA' | 100.7° | 172.4° |
| HB12 | CB11 | CA' | CB' | 99.0° | 172.4° |
| HB12 | CB11 | CA' | C9 | 19.2° | 52.4° |
| HB12 | CB11 | CA' | HA' | 139.3° | 67.6° |
| CB' | CA' | C9 | HA' | 121.9° | 120.1° |
| CA' | CB' | CG11 | CG2 | 147.6° | 119.9° |
| CA' | CB' | CG11 | HB' | 99.1° | 120.1° |
| CA' | CB' | CG2 | HB' | 103.1° | 120.0° |
| CA' | CB' | CG11 | HG11 | 180.0° | 174.3° |
| CA' | CB' | CG11 | HG12 | 60.0° | 65.7° |
| CA' | CB' | CG11 | HG13 | 60.0° | 54.3° |
| CA' | CB' | CG2 | HG21 | 180.0° | 56.3° |
| CA' | CB' | CG2 | HG22 | 60.0° | 176.4° |
| CA' | CB' | CG2 | HG23 | 60.0° | 63.7° |
| CB' | CA' | C9 | O2 | 65.2° | 109.2° |
| CB' | CA' | C9 | N3 | 112.7° | 70.8° |
| C9 | CA' | CB' | CG11 | 95.0° | 59.4° |
| C9 | CA' | CB' | CG2 | 51.8° | 60.5° |
| C9 | CA' | CB' | HB' | 163.3° | 179.5° |
| CA' | C9 | O2 | N3 | 177.8° | 180.0° |
| CA' | C9 | N3 | C11 | 178.5° | 176.8° |
| CA' | C9 | N3 | HN2 | 1.6° | 3.2° |
| HA' | CA' | CB' | CG11 | 25.1° | 179.5° |
| HA' | CA' | CB' | CG2 | 171.9° | 59.6° |
| HA' | CA' | CB' | HB' | 76.5° | 60.4° |
| HA' | CA' | C9 | O2 | 172.9° | 130.7° |
| HA' | CA' | C9 | N3 | 9.3° | 49.2° |
| CG11 | CB' | CG2 | HB' | 107.5° | 120.1° |
| CB' | CG11 | HG11 | HG12 | 120.0° | 120.0° |
| CB' | CG11 | HG11 | HG13 | 120.0° | 120.0° |
| CB' | CG11 | HG12 | HG13 | 120.0° | 120.0° |
| CG11 | CB' | CG2 | HG21 | 30.6° | 176.3° |
| CG11 | CB' | CG2 | HG22 | 150.6° | 63.7° |
| CG11 | CB' | CG2 | HG23 | 89.4° | 56.3° |
| CG2 | CB' | CG11 | HG11 | 32.4° | 54.4° |
| CG2 | CB' | CG11 | HG12 | 87.6° | 174.4° |
| CG2 | CB' | CG11 | HG13 | 152.4° | 65.6° |
| CB' | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB' | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB' | CG2 | HG22 | HG23 | 120.0° | 119.9° |
| HB' | CB' | CG11 | HG11 | 80.9° | 65.6° |
| HB' | CB' | CG11 | HG12 | 159.1° | 54.4° |
| HB' | CB' | CG11 | HG13 | 39.1° | 174.4° |
| HB' | CB' | CG2 | HG21 | 76.9° | 63.6° |
| HB' | CB' | CG2 | HG22 | 43.1° | 56.4° |
| HB' | CB' | CG2 | HG23 | 163.1° | 176.4° |
| HG11 | CG11 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.1° |
| O2 | C9 | N3 | C11 | 0.6° | 3.3° |
| O2 | C9 | N3 | HN2 | 179.4° | 176.8° |
| C11 | N3 | HN2 | C9 | 180.0° | 179.9° |
| N3 | C11 | C21 | H11 | 120.0° | 120.0° |
| N3 | C11 | C21 | H12 | 120.0° | 120.0° |
| N3 | C11 | H11 | H12 | 120.0° | 120.0° |
| N3 | C11 | C21 | C31 | 56.9° | 60.0° |
| N3 | C11 | C21 | C41 | 58.9° | 180.0° |
| N3 | C11 | C21 | C51 | 177.3° | 60.0° |
| HN2 | N3 | C11 | C21 | 85.1° | 0.0° |
| HN2 | N3 | C11 | H11 | 34.9° | 119.9° |
| HN2 | N3 | C11 | H12 | 154.9° | 120.0° |
| C21 | C11 | H11 | H12 | 120.0° | 120.0° |
| C11 | C21 | C31 | C41 | 113.5° | 120.0° |
| C11 | C21 | C31 | C51 | 122.6° | 120.0° |
| C11 | C21 | C41 | C51 | 121.3° | 120.0° |
| C11 | C21 | C31 | H31 | 180.0° | 60.0° |
| C11 | C21 | C31 | H32 | 60.0° | 180.0° |
| C11 | C21 | C31 | H33 | 60.0° | 60.0° |
| C11 | C21 | C41 | H41 | 180.0° | 60.0° |
| C11 | C21 | C41 | H42 | 60.0° | 180.0° |
| C11 | C21 | C41 | H43 | 60.0° | 60.0° |
| C11 | C21 | C51 | H51 | 180.0° | 60.0° |
| C11 | C21 | C51 | H52 | 60.0° | 180.0° |
| C11 | C21 | C51 | H53 | 60.0° | 60.0° |
| C21 | C11 | N3 | C9 | 94.9° | 180.0° |
| H11 | C11 | C21 | C31 | 63.2° | 60.0° |
| H11 | C11 | C21 | C41 | 179.0° | 60.0° |
| H11 | C11 | C21 | C51 | 57.3° | 179.9° |
| H11 | C11 | N3 | C9 | 145.1° | 60.0° |
| H12 | C11 | C21 | C31 | 176.9° | 180.0° |
| H12 | C11 | C21 | C41 | 61.0° | 60.0° |
| H12 | C11 | C21 | C51 | 62.7° | 60.0° |
| H12 | C11 | N3 | C9 | 25.1° | 60.0° |
| C31 | C21 | C41 | C51 | 119.4° | 120.0° |
| C21 | C31 | H31 | H32 | 120.0° | 119.9° |
| C21 | C31 | H31 | H33 | 120.0° | 120.0° |
| C21 | C31 | H32 | H33 | 120.0° | 120.0° |
| C31 | C21 | C41 | H41 | 60.6° | 180.0° |
| C31 | C21 | C41 | H42 | 179.3° | 60.0° |
| C31 | C21 | C41 | H43 | 59.3° | 60.0° |
| C31 | C21 | C51 | H51 | 56.5° | 60.0° |
| C31 | C21 | C51 | H52 | 63.5° | 60.1° |
| C31 | C21 | C51 | H53 | 176.5° | 180.0° |
| C41 | C21 | C31 | H31 | 66.5° | 59.9° |
| C41 | C21 | C31 | H32 | 53.5° | 60.0° |
| C41 | C21 | C31 | H33 | 173.5° | 180.0° |
| C21 | C41 | H41 | H42 | 120.0° | 119.9° |
| C21 | C41 | H41 | H43 | 120.0° | 120.0° |
| C21 | C41 | H42 | H43 | 120.0° | 120.0° |
| C41 | C21 | C51 | H51 | 62.9° | 180.0° |
| C41 | C21 | C51 | H52 | 177.1° | 60.0° |
| C41 | C21 | C51 | H53 | 57.1° | 60.0° |
| C51 | C21 | C31 | H31 | 57.4° | 180.0° |
| C51 | C21 | C31 | H32 | 177.4° | 60.0° |
| C51 | C21 | C31 | H33 | 62.6° | 60.0° |
| C51 | C21 | C41 | H41 | 58.7° | 60.0° |
| C51 | C21 | C41 | H42 | 61.3° | 60.0° |
| C51 | C21 | C41 | H43 | 178.7° | 180.0° |
| C21 | C51 | H51 | H52 | 120.0° | 120.0° |
| C21 | C51 | H51 | H53 | 120.0° | 120.0° |
| C21 | C51 | H52 | H53 | 120.0° | 120.0° |
| H31 | C31 | H32 | H33 | 120.0° | 120.1° |
| H41 | C41 | H42 | H43 | 120.0° | 120.0° |
| H51 | C51 | H52 | H53 | 120.0° | 120.0° |
