01E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CB | CG1 | sing | 1.53Å | 1.53Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CB | CG3 | sing | 1.53Å | 1.49Å | |
| CG1 | H11 | sing | 1.09Å | 1.10Å | |
| CG1 | H12 | sing | 1.09Å | 1.10Å | |
| CG1 | H13 | sing | 1.09Å | 1.10Å | |
| CG2 | H21 | sing | 1.09Å | 1.10Å | |
| CG2 | H22 | sing | 1.09Å | 1.10Å | |
| CG2 | H23 | sing | 1.09Å | 1.10Å | |
| CG3 | H31 | sing | 1.09Å | 1.10Å | |
| CG3 | H32 | sing | 1.09Å | 1.10Å | |
| CG3 | H33 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| N | CA1 | sing | 1.47Å | 1.46Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CA1 | C1 | sing | 1.51Å | 1.54Å | |
| CA1 | HA | sing | 1.09Å | 1.10Å | |
| CB1 | CG11 | sing | 1.53Å | 1.52Å | |
| CB1 | CG21 | sing | 1.53Å | 1.53Å | |
| CB1 | CG31 | sing | 1.53Å | 1.50Å | |
| CG11 | HG11 | sing | 1.09Å | 1.10Å | |
| CG11 | HG12 | sing | 1.09Å | 1.10Å | |
| CG11 | HG13 | sing | 1.09Å | 1.10Å | |
| CG21 | HG21 | sing | 1.09Å | 1.10Å | |
| CG21 | HG22 | sing | 1.09Å | 1.10Å | |
| CG21 | HG23 | sing | 1.09Å | 1.10Å | |
| CG31 | HG31 | sing | 1.09Å | 1.10Å | |
| CG31 | HG32 | sing | 1.09Å | 1.10Å | |
| CG31 | HG33 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | CA2 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA2 | CB2 | sing | 1.53Å | 1.52Å | |
| CA2 | C2 | sing | 1.51Å | 1.54Å | |
| CA2 | HA3 | sing | 1.09Å | 1.10Å | |
| CB2 | CG | sing | 1.51Å | 1.50Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB3 | sing | 1.09Å | 1.10Å | |
| CG | OD1 | doub | 1.21Å | 1.23Å | |
| CG | ND2 | sing | 1.35Å | 1.34Å | |
| ND2 | CE1 | sing | 1.37Å | 1.43Å | Aromatic |
| ND2 | CE2 | sing | 1.37Å | 1.44Å | Aromatic |
| CE1 | CH1 | doub | 1.35Å | 1.51Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CH1 | CH2 | sing | 1.41Å | 1.50Å | Aromatic |
| CH1 | HH1 | sing | 1.08Å | 1.08Å | |
| CE2 | CH2 | doub | 1.35Å | 1.50Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | CA3 | sing | 1.47Å | 1.46Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| CA3 | C3 | sing | 1.53Å | 1.56Å | |
| CA3 | CB3 | sing | 1.53Å | 1.52Å | |
| CA3 | HA4 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.38Å | |
| C3 | C11 | sing | 1.51Å | 1.53Å | |
| CB3 | HB1 | sing | 1.09Å | 1.10Å | |
| CB3 | HB21 | sing | 1.09Å | 1.10Å | |
| CB3 | HB31 | sing | 1.09Å | 1.10Å | |
| C11 | O11 | doub | 1.21Å | 1.23Å | |
| C11 | N21 | sing | 1.35Å | 1.33Å | |
| N21 | C31 | sing | 1.47Å | 1.47Å | |
| N21 | HN2 | sing | 0.97Å | 1.00Å | |
| C31 | C4 | sing | 1.51Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H321 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | I7 | sing | 2.09Å | 2.12Å | |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| O3 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | C | 109.3° | 109.5° |
| CB | CA | HA1 | 109.6° | 109.5° |
| CB | CA | HA2 | 109.5° | 109.5° |
| CA | CB | CG1 | 110.8° | 109.5° |
| CA | CB | CG2 | 110.0° | 109.5° |
| CA | CB | CG3 | 108.8° | 109.5° |
| C | CA | HA1 | 109.5° | 109.5° |
| C | CA | HA2 | 109.5° | 109.5° |
| CA | C | O | 120.3° | 120.0° |
| CA | C | N | 116.4° | 120.0° |
| HA1 | CA | HA2 | 109.4° | 109.4° |
| CG1 | CB | CG2 | 109.9° | 109.5° |
| CG1 | CB | CG3 | 107.9° | 109.5° |
| CB | CG1 | H11 | 109.5° | 109.5° |
| CB | CG1 | H12 | 109.5° | 109.5° |
| CB | CG1 | H13 | 109.5° | 109.5° |
| CG2 | CB | CG3 | 109.5° | 109.4° |
| CB | CG2 | H21 | 109.5° | 109.5° |
| CB | CG2 | H22 | 109.5° | 109.5° |
| CB | CG2 | H23 | 109.4° | 109.5° |
| CB | CG3 | H31 | 109.5° | 109.4° |
| CB | CG3 | H32 | 109.5° | 109.5° |
| CB | CG3 | H33 | 109.5° | 109.5° |
| H11 | CG1 | H12 | 109.5° | 109.4° |
| H11 | CG1 | H13 | 109.5° | 109.5° |
| H12 | CG1 | H13 | 109.4° | 109.5° |
| H21 | CG2 | H22 | 109.5° | 109.4° |
| H21 | CG2 | H23 | 109.5° | 109.5° |
| H22 | CG2 | H23 | 109.5° | 109.4° |
| H31 | CG3 | H32 | 109.5° | 109.5° |
| H31 | CG3 | H33 | 109.5° | 109.5° |
| H32 | CG3 | H33 | 109.5° | 109.5° |
| O | C | N | 123.3° | 120.0° |
| C | N | CA1 | 121.8° | 120.0° |
| C | N | H | 119.1° | 120.0° |
| CA1 | N | H | 119.1° | 120.0° |
| N | CA1 | CB1 | 111.5° | 109.5° |
| N | CA1 | C1 | 110.0° | 109.5° |
| N | CA1 | HA | 108.6° | 109.5° |
| CB1 | CA1 | C1 | 112.0° | 109.5° |
| CB1 | CA1 | HA | 106.5° | 109.5° |
| CA1 | CB1 | CG11 | 109.9° | 109.5° |
| CA1 | CB1 | CG21 | 110.3° | 109.5° |
| CA1 | CB1 | CG31 | 109.6° | 109.5° |
| C1 | CA1 | HA | 108.0° | 109.4° |
| CA1 | C1 | O1 | 121.3° | 120.0° |
| CA1 | C1 | N1 | 115.5° | 120.0° |
| CG11 | CB1 | CG21 | 110.6° | 109.5° |
| CG11 | CB1 | CG31 | 108.4° | 109.5° |
| CB1 | CG11 | HG11 | 109.5° | 109.5° |
| CB1 | CG11 | HG12 | 109.4° | 109.5° |
| CB1 | CG11 | HG13 | 109.5° | 109.4° |
| CG21 | CB1 | CG31 | 108.0° | 109.5° |
| CB1 | CG21 | HG21 | 109.5° | 109.5° |
| CB1 | CG21 | HG22 | 109.4° | 109.5° |
| CB1 | CG21 | HG23 | 109.4° | 109.5° |
| CB1 | CG31 | HG31 | 109.5° | 109.5° |
| CB1 | CG31 | HG32 | 109.4° | 109.5° |
| CB1 | CG31 | HG33 | 109.5° | 109.5° |
| HG11 | CG11 | HG12 | 109.4° | 109.5° |
| HG11 | CG11 | HG13 | 109.5° | 109.4° |
| HG12 | CG11 | HG13 | 109.5° | 109.5° |
| HG21 | CG21 | HG22 | 109.5° | 109.5° |
| HG21 | CG21 | HG23 | 109.5° | 109.5° |
| HG22 | CG21 | HG23 | 109.5° | 109.5° |
| HG31 | CG31 | HG32 | 109.5° | 109.4° |
| HG31 | CG31 | HG33 | 109.5° | 109.4° |
| HG32 | CG31 | HG33 | 109.5° | 109.5° |
| O1 | C1 | N1 | 123.3° | 120.0° |
| C1 | N1 | CA2 | 124.1° | 120.0° |
| C1 | N1 | H1 | 118.0° | 120.0° |
| CA2 | N1 | H1 | 118.0° | 120.0° |
| N1 | CA2 | CB2 | 107.9° | 109.5° |
| N1 | CA2 | C2 | 113.7° | 109.5° |
| N1 | CA2 | HA3 | 107.5° | 109.4° |
| CB2 | CA2 | C2 | 108.9° | 109.5° |
| CB2 | CA2 | HA3 | 112.4° | 109.5° |
| CA2 | CB2 | CG | 112.3° | 109.5° |
| CA2 | CB2 | HB2 | 108.5° | 109.5° |
| CA2 | CB2 | HB3 | 108.5° | 109.5° |
| C2 | CA2 | HA3 | 106.5° | 109.5° |
| CA2 | C2 | O2 | 121.3° | 120.0° |
| CA2 | C2 | N2 | 116.5° | 120.0° |
| CG | CB2 | HB2 | 108.5° | 109.5° |
| CG | CB2 | HB3 | 108.6° | 109.4° |
| CB2 | CG | OD1 | 120.0° | 120.0° |
| CB2 | CG | ND2 | 117.3° | 120.0° |
| HB2 | CB2 | HB3 | 110.4° | 109.5° |
| OD1 | CG | ND2 | 122.8° | 120.0° |
| CG | ND2 | CE1 | 123.0° | 125.7° |
| CG | ND2 | CE2 | 119.4° | 125.7° |
| CE1 | ND2 | CE2 | 117.6° | 108.6° |
| ND2 | CE1 | CH1 | 102.5° | 108.1° |
| ND2 | CE1 | HE1 | 128.8° | 125.9° |
| ND2 | CE2 | CH2 | 102.4° | 108.1° |
| ND2 | CE2 | HE2 | 128.8° | 126.0° |
| CH1 | CE1 | HE1 | 128.7° | 125.9° |
| CE1 | CH1 | CH2 | 108.3° | 107.6° |
| CE1 | CH1 | HH1 | 125.9° | 126.2° |
| CH2 | CH1 | HH1 | 125.8° | 126.1° |
| CH1 | CH2 | CE2 | 108.7° | 107.6° |
| CH1 | CH2 | HH2 | 125.7° | 126.3° |
| CH2 | CE2 | HE2 | 128.8° | 125.9° |
| CE2 | CH2 | HH2 | 125.6° | 126.1° |
| O2 | C2 | N2 | 122.1° | 120.0° |
| C2 | N2 | CA3 | 120.8° | 120.0° |
| C2 | N2 | H2 | 119.6° | 120.0° |
| CA3 | N2 | H2 | 119.6° | 120.0° |
| N2 | CA3 | C3 | 113.1° | 109.5° |
| N2 | CA3 | CB3 | 109.7° | 109.5° |
| N2 | CA3 | HA4 | 107.1° | 109.4° |
| C3 | CA3 | CB3 | 110.3° | 109.5° |
| C3 | CA3 | HA4 | 106.4° | 109.5° |
| CA3 | C3 | O3 | 109.5° | 109.5° |
| CA3 | C3 | C11 | 110.7° | 109.4° |
| CA3 | C3 | H43 | 108.3° | 109.4° |
| CB3 | CA3 | HA4 | 110.1° | 109.5° |
| CA3 | CB3 | HB1 | 109.5° | 109.5° |
| CA3 | CB3 | HB21 | 109.5° | 109.5° |
| CA3 | CB3 | HB31 | 109.5° | 109.4° |
| O3 | C3 | C11 | 108.4° | 109.5° |
| O3 | C3 | H43 | 110.6° | 109.5° |
| C3 | O3 | H44 | 109.5° | 114.0° |
| C3 | C11 | O11 | 120.8° | 119.9° |
| C3 | C11 | N21 | 116.8° | 120.0° |
| C11 | C3 | H43 | 109.4° | 109.5° |
| HB1 | CB3 | HB21 | 109.4° | 109.5° |
| HB1 | CB3 | HB31 | 109.5° | 109.5° |
| HB21 | CB3 | HB31 | 109.5° | 109.5° |
| O11 | C11 | N21 | 122.4° | 120.0° |
| C11 | N21 | C31 | 123.6° | 120.0° |
| C11 | N21 | HN2 | 118.2° | 120.0° |
| C31 | N21 | HN2 | 118.2° | 120.0° |
| N21 | C31 | C4 | 111.2° | 109.4° |
| N21 | C31 | H311 | 108.9° | 109.5° |
| N21 | C31 | H321 | 108.9° | 109.5° |
| C4 | C31 | H311 | 108.9° | 109.5° |
| C4 | C31 | H321 | 108.9° | 109.4° |
| C31 | C4 | C5 | 121.3° | 120.0° |
| C31 | C4 | C9 | 120.2° | 120.0° |
| H311 | C31 | H321 | 110.1° | 109.5° |
| C5 | C4 | C9 | 118.5° | 120.1° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C4 | C9 | C8 | 121.0° | 120.0° |
| C4 | C9 | H9 | 119.5° | 120.0° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C6 | C7 | I7 | 120.5° | 120.0° |
| C6 | C7 | C8 | 119.5° | 120.0° |
| I7 | C7 | C8 | 120.0° | 120.0° |
| C7 | C8 | C9 | 120.3° | 120.0° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | H9 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | C | HA1 | 120.0° | 120.0° |
| CB | CA | C | HA2 | 120.0° | 120.0° |
| CB | CA | HA1 | HA2 | 120.1° | 120.0° |
| CA | CB | CG1 | CG2 | 121.7° | 120.0° |
| CA | CB | CG1 | CG3 | 119.0° | 120.0° |
| CA | CB | CG2 | CG3 | 119.5° | 120.0° |
| CA | CB | CG1 | H11 | 180.0° | 60.0° |
| CA | CB | CG1 | H12 | 60.0° | 180.0° |
| CA | CB | CG1 | H13 | 60.0° | 60.0° |
| CA | CB | CG2 | H21 | 180.0° | 60.0° |
| CA | CB | CG2 | H22 | 60.0° | 180.0° |
| CA | CB | CG2 | H23 | 60.0° | 60.0° |
| CA | CB | CG3 | H31 | 180.0° | 60.0° |
| CA | CB | CG3 | H32 | 60.0° | 180.0° |
| CA | CB | CG3 | H33 | 60.0° | 60.0° |
| CB | CA | C | O | 74.2° | 0.0° |
| CB | CA | C | N | 107.7° | 180.0° |
| C | CA | HA1 | HA2 | 120.1° | 120.0° |
| C | CA | CB | CG1 | 60.2° | 60.0° |
| C | CA | CB | CG2 | 61.5° | 180.0° |
| C | CA | CB | CG3 | 178.6° | 60.0° |
| CA | C | O | N | 178.0° | 180.0° |
| CA | C | N | CA1 | 179.1° | 180.0° |
| CA | C | N | H | 0.9° | 0.0° |
| HA1 | CA | CB | CG1 | 59.8° | 180.0° |
| HA1 | CA | CB | CG2 | 178.5° | 60.0° |
| HA1 | CA | CB | CG3 | 58.6° | 60.0° |
| HA1 | CA | C | O | 45.8° | 120.0° |
| HA1 | CA | C | N | 132.3° | 60.0° |
| HA2 | CA | CB | CG1 | 179.8° | 60.1° |
| HA2 | CA | CB | CG2 | 58.5° | 59.9° |
| HA2 | CA | CB | CG3 | 61.4° | 179.9° |
| HA2 | CA | C | O | 165.8° | 120.0° |
| HA2 | CA | C | N | 12.3° | 60.0° |
| CG1 | CB | CG2 | CG3 | 118.3° | 120.0° |
| CB | CG1 | H11 | H12 | 120.0° | 120.0° |
| CB | CG1 | H11 | H13 | 120.0° | 120.1° |
| CB | CG1 | H12 | H13 | 120.0° | 120.0° |
| CG1 | CB | CG2 | H21 | 57.8° | 180.0° |
| CG1 | CB | CG2 | H22 | 62.2° | 60.0° |
| CG1 | CB | CG2 | H23 | 177.8° | 60.0° |
| CG1 | CB | CG3 | H31 | 59.8° | 60.0° |
| CG1 | CB | CG3 | H32 | 179.8° | 60.0° |
| CG1 | CB | CG3 | H33 | 60.2° | 180.0° |
| CG2 | CB | CG1 | H11 | 58.3° | 60.0° |
| CG2 | CB | CG1 | H12 | 178.3° | 60.0° |
| CG2 | CB | CG1 | H13 | 61.8° | 180.0° |
| CB | CG2 | H21 | H22 | 120.0° | 120.0° |
| CB | CG2 | H21 | H23 | 120.0° | 120.0° |
| CB | CG2 | H22 | H23 | 120.0° | 120.1° |
| CG2 | CB | CG3 | H31 | 59.8° | 180.0° |
| CG2 | CB | CG3 | H32 | 60.2° | 60.0° |
| CG2 | CB | CG3 | H33 | 179.8° | 60.0° |
| CG3 | CB | CG1 | H11 | 61.0° | 179.9° |
| CG3 | CB | CG1 | H12 | 59.0° | 60.0° |
| CG3 | CB | CG1 | H13 | 178.9° | 60.0° |
| CG3 | CB | CG2 | H21 | 60.5° | 60.0° |
| CG3 | CB | CG2 | H22 | 179.5° | 60.0° |
| CG3 | CB | CG2 | H23 | 59.5° | 180.0° |
| CB | CG3 | H31 | H32 | 120.0° | 120.0° |
| CB | CG3 | H31 | H33 | 120.0° | 120.0° |
| CB | CG3 | H32 | H33 | 120.0° | 120.0° |
| H11 | CG1 | H12 | H13 | 120.0° | 120.0° |
| H21 | CG2 | H22 | H23 | 120.0° | 119.9° |
| H31 | CG3 | H32 | H33 | 120.0° | 120.0° |
| O | C | N | CA1 | 2.9° | 0.0° |
| O | C | N | H | 177.1° | 180.0° |
| C | N | CA1 | H | 180.0° | 180.0° |
| C | N | CA1 | CB1 | 127.7° | 85.0° |
| C | N | CA1 | C1 | 107.4° | 155.0° |
| C | N | CA1 | HA | 10.7° | 35.1° |
| N | CA1 | CB1 | C1 | 123.8° | 120.0° |
| N | CA1 | CB1 | HA | 118.3° | 120.1° |
| N | CA1 | C1 | HA | 118.5° | 120.0° |
| N | CA1 | CB1 | CG11 | 54.7° | 64.7° |
| N | CA1 | CB1 | CG21 | 176.9° | 175.3° |
| N | CA1 | CB1 | CG31 | 64.4° | 55.3° |
| N | CA1 | C1 | O1 | 49.4° | 14.0° |
| N | CA1 | C1 | N1 | 129.1° | 166.1° |
| H | N | CA1 | CB1 | 52.3° | 95.0° |
| H | N | CA1 | C1 | 72.6° | 25.0° |
| H | N | CA1 | HA | 169.3° | 144.9° |
| CB1 | CA1 | C1 | HA | 117.0° | 120.0° |
| CA1 | CB1 | CG11 | CG21 | 122.0° | 120.0° |
| CA1 | CB1 | CG11 | CG31 | 119.8° | 120.0° |
| CA1 | CB1 | CG21 | CG31 | 119.7° | 120.0° |
| CA1 | CB1 | CG11 | HG11 | 180.0° | 60.0° |
| CA1 | CB1 | CG11 | HG12 | 60.0° | 180.0° |
| CA1 | CB1 | CG11 | HG13 | 60.0° | 59.9° |
| CA1 | CB1 | CG21 | HG21 | 180.0° | 60.4° |
| CA1 | CB1 | CG21 | HG22 | 60.0° | 179.6° |
| CA1 | CB1 | CG21 | HG23 | 60.0° | 59.6° |
| CA1 | CB1 | CG31 | HG31 | 180.0° | 60.0° |
| CA1 | CB1 | CG31 | HG32 | 60.0° | 179.9° |
| CA1 | CB1 | CG31 | HG33 | 60.0° | 60.0° |
| CB1 | CA1 | C1 | O1 | 75.2° | 106.1° |
| CB1 | CA1 | C1 | N1 | 106.3° | 73.9° |
| C1 | CA1 | CB1 | CG11 | 69.1° | 55.3° |
| C1 | CA1 | CB1 | CG21 | 53.1° | 64.7° |
| C1 | CA1 | CB1 | CG31 | 171.8° | 175.3° |
| CA1 | C1 | O1 | N1 | 178.4° | 180.0° |
| CA1 | C1 | N1 | CA2 | 178.9° | 175.3° |
| CA1 | C1 | N1 | H1 | 1.1° | 4.7° |
| HA | CA1 | CB1 | CG11 | 173.0° | 175.2° |
| HA | CA1 | CB1 | CG21 | 64.8° | 55.2° |
| HA | CA1 | CB1 | CG31 | 53.9° | 64.8° |
| HA | CA1 | C1 | O1 | 167.9° | 133.9° |
| HA | CA1 | C1 | N1 | 10.6° | 46.1° |
| CG11 | CB1 | CG21 | CG31 | 118.5° | 120.0° |
| CB1 | CG11 | HG11 | HG12 | 120.0° | 120.0° |
| CB1 | CG11 | HG11 | HG13 | 120.0° | 119.9° |
| CB1 | CG11 | HG12 | HG13 | 120.0° | 120.0° |
| CG11 | CB1 | CG21 | HG21 | 58.2° | 179.6° |
| CG11 | CB1 | CG21 | HG22 | 61.8° | 59.6° |
| CG11 | CB1 | CG21 | HG23 | 178.2° | 60.4° |
| CG11 | CB1 | CG31 | HG31 | 60.0° | 60.0° |
| CG11 | CB1 | CG31 | HG32 | 180.0° | 59.9° |
| CG11 | CB1 | CG31 | HG33 | 60.0° | 180.0° |
| CG21 | CB1 | CG11 | HG11 | 58.0° | 60.0° |
| CG21 | CB1 | CG11 | HG12 | 178.0° | 60.0° |
| CG21 | CB1 | CG11 | HG13 | 62.0° | 180.0° |
| CB1 | CG21 | HG21 | HG22 | 120.0° | 120.0° |
| CB1 | CG21 | HG21 | HG23 | 120.0° | 120.0° |
| CB1 | CG21 | HG22 | HG23 | 120.0° | 120.0° |
| CG21 | CB1 | CG31 | HG31 | 59.9° | 180.0° |
| CG21 | CB1 | CG31 | HG32 | 60.1° | 60.0° |
| CG21 | CB1 | CG31 | HG33 | 179.9° | 60.0° |
| CG31 | CB1 | CG11 | HG11 | 60.2° | 180.0° |
| CG31 | CB1 | CG11 | HG12 | 59.8° | 60.0° |
| CG31 | CB1 | CG11 | HG13 | 179.8° | 60.0° |
| CG31 | CB1 | CG21 | HG21 | 60.3° | 59.6° |
| CG31 | CB1 | CG21 | HG22 | 179.7° | 60.4° |
| CG31 | CB1 | CG21 | HG23 | 59.7° | 179.6° |
| CB1 | CG31 | HG31 | HG32 | 120.0° | 120.0° |
| CB1 | CG31 | HG31 | HG33 | 120.0° | 120.0° |
| CB1 | CG31 | HG32 | HG33 | 120.0° | 120.1° |
| HG11 | CG11 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG21 | HG22 | HG23 | 120.0° | 120.0° |
| HG31 | CG31 | HG32 | HG33 | 120.0° | 120.0° |
| O1 | C1 | N1 | CA2 | 0.4° | 4.7° |
| O1 | C1 | N1 | H1 | 179.6° | 175.3° |
| C1 | N1 | CA2 | H1 | 180.0° | 180.0° |
| C1 | N1 | CA2 | CB2 | 122.2° | 115.8° |
| C1 | N1 | CA2 | C2 | 116.9° | 124.2° |
| C1 | N1 | CA2 | HA3 | 0.7° | 4.3° |
| N1 | CA2 | CB2 | C2 | 123.9° | 120.0° |
| N1 | CA2 | CB2 | HA3 | 118.4° | 120.0° |
| N1 | CA2 | C2 | HA3 | 118.2° | 119.9° |
| N1 | CA2 | CB2 | CG | 55.7° | 65.5° |
| N1 | CA2 | CB2 | HB2 | 64.3° | 54.5° |
| N1 | CA2 | CB2 | HB3 | 175.7° | 174.6° |
| N1 | CA2 | C2 | O2 | 54.8° | 0.0° |
| N1 | CA2 | C2 | N2 | 128.6° | 180.0° |
| H1 | N1 | CA2 | CB2 | 57.8° | 64.2° |
| H1 | N1 | CA2 | C2 | 63.2° | 55.8° |
| H1 | N1 | CA2 | HA3 | 179.2° | 175.7° |
| CB2 | CA2 | C2 | HA3 | 121.4° | 120.1° |
| CA2 | CB2 | CG | HB2 | 120.0° | 120.0° |
| CA2 | CB2 | CG | HB3 | 120.0° | 120.0° |
| CA2 | CB2 | HB2 | HB3 | 118.8° | 120.0° |
| CA2 | CB2 | CG | OD1 | 0.2° | 2.1° |
| CA2 | CB2 | CG | ND2 | 179.4° | 177.9° |
| CB2 | CA2 | C2 | O2 | 65.6° | 120.0° |
| CB2 | CA2 | C2 | N2 | 111.1° | 60.0° |
| C2 | CA2 | CB2 | CG | 179.5° | 174.5° |
| C2 | CA2 | CB2 | HB2 | 59.5° | 65.5° |
| C2 | CA2 | CB2 | HB3 | 60.5° | 54.6° |
| CA2 | C2 | O2 | N2 | 176.4° | 180.0° |
| CA2 | C2 | N2 | CA3 | 179.9° | 180.0° |
| CA2 | C2 | N2 | H2 | 0.1° | 0.0° |
| HA3 | CA2 | CB2 | CG | 62.7° | 54.5° |
| HA3 | CA2 | CB2 | HB2 | 177.3° | 174.5° |
| HA3 | CA2 | CB2 | HB3 | 57.3° | 65.4° |
| HA3 | CA2 | C2 | O2 | 173.0° | 119.9° |
| HA3 | CA2 | C2 | N2 | 10.4° | 60.0° |
| CG | CB2 | HB2 | HB3 | 118.9° | 120.0° |
| CB2 | CG | OD1 | ND2 | 179.6° | 179.9° |
| CB2 | CG | ND2 | CE1 | 7.7° | 180.0° |
| CB2 | CG | ND2 | CE2 | 171.6° | 0.3° |
| HB2 | CB2 | CG | OD1 | 119.8° | 117.9° |
| HB2 | CB2 | CG | ND2 | 60.6° | 62.1° |
| HB3 | CB2 | CG | OD1 | 120.2° | 122.1° |
| HB3 | CB2 | CG | ND2 | 59.4° | 58.0° |
| OD1 | CG | ND2 | CE1 | 172.7° | 0.0° |
| OD1 | CG | ND2 | CE2 | 8.0° | 179.7° |
| CG | ND2 | CE1 | CE2 | 179.3° | 179.7° |
| CG | ND2 | CE1 | CH1 | 173.8° | 180.0° |
| CG | ND2 | CE1 | HE1 | 6.2° | 0.1° |
| CG | ND2 | CE2 | CH2 | 173.1° | 179.8° |
| CG | ND2 | CE2 | HE2 | 6.9° | 0.0° |
| ND2 | CE1 | CH1 | HE1 | 180.0° | 179.9° |
| ND2 | CE1 | CH1 | CH2 | 3.0° | 0.0° |
| ND2 | CE1 | CH1 | HH1 | 176.9° | 180.0° |
| CE1 | ND2 | CE2 | CH2 | 7.6° | 0.4° |
| CE1 | ND2 | CE2 | HE2 | 172.4° | 179.8° |
| CE2 | ND2 | CE1 | CH1 | 6.9° | 0.3° |
| CE2 | ND2 | CE1 | HE1 | 173.1° | 179.8° |
| ND2 | CE2 | CH2 | CH1 | 4.9° | 0.4° |
| ND2 | CE2 | CH2 | HE2 | 180.0° | 179.8° |
| ND2 | CE2 | CH2 | HH2 | 175.1° | 179.9° |
| CE1 | CH1 | CH2 | HH1 | 180.0° | 180.0° |
| CE1 | CH1 | CH2 | CE2 | 1.2° | 0.3° |
| CE1 | CH1 | CH2 | HH2 | 178.8° | 180.0° |
| HE1 | CE1 | CH1 | CH2 | 177.0° | 179.9° |
| HE1 | CE1 | CH1 | HH1 | 3.0° | 0.0° |
| CH1 | CH2 | CE2 | HH2 | 180.0° | 179.7° |
| CH1 | CH2 | CE2 | HE2 | 175.1° | 179.8° |
| HH1 | CH1 | CH2 | CE2 | 178.8° | 179.8° |
| HH1 | CH1 | CH2 | HH2 | 1.2° | 0.1° |
| HE2 | CE2 | CH2 | HH2 | 4.9° | 0.0° |
| O2 | C2 | N2 | CA3 | 3.4° | 0.0° |
| O2 | C2 | N2 | H2 | 176.5° | 179.9° |
| C2 | N2 | CA3 | H2 | 180.0° | 179.9° |
| C2 | N2 | CA3 | C3 | 124.5° | 155.0° |
| C2 | N2 | CA3 | CB3 | 111.9° | 85.0° |
| C2 | N2 | CA3 | HA4 | 7.6° | 35.0° |
| N2 | CA3 | C3 | CB3 | 123.3° | 120.0° |
| N2 | CA3 | C3 | HA4 | 117.3° | 119.9° |
| N2 | CA3 | CB3 | HA4 | 117.6° | 120.0° |
| N2 | CA3 | C3 | O3 | 154.0° | 65.0° |
| N2 | CA3 | C3 | C11 | 86.5° | 174.9° |
| N2 | CA3 | CB3 | HB1 | 180.0° | 60.0° |
| N2 | CA3 | CB3 | HB21 | 60.0° | 180.0° |
| N2 | CA3 | CB3 | HB31 | 60.0° | 60.0° |
| N2 | CA3 | C3 | H43 | 33.4° | 55.0° |
| H2 | N2 | CA3 | C3 | 55.5° | 25.0° |
| H2 | N2 | CA3 | CB3 | 68.1° | 94.9° |
| H2 | N2 | CA3 | HA4 | 172.4° | 145.0° |
| C3 | CA3 | CB3 | HA4 | 117.1° | 120.0° |
| CA3 | C3 | O3 | C11 | 120.9° | 120.0° |
| CA3 | C3 | O3 | H43 | 119.2° | 119.9° |
| CA3 | C3 | C11 | H43 | 119.2° | 119.9° |
| C3 | CA3 | CB3 | HB1 | 54.8° | 60.0° |
| C3 | CA3 | CB3 | HB21 | 174.8° | 60.0° |
| C3 | CA3 | CB3 | HB31 | 65.2° | 180.0° |
| CA3 | C3 | C11 | O11 | 53.5° | 115.0° |
| CA3 | C3 | C11 | N21 | 127.6° | 65.0° |
| CA3 | C3 | O3 | H44 | 180.0° | 60.1° |
| CB3 | CA3 | C3 | O3 | 30.8° | 55.0° |
| CB3 | CA3 | C3 | C11 | 150.2° | 65.1° |
| CA3 | CB3 | HB1 | HB21 | 120.0° | 120.1° |
| CA3 | CB3 | HB1 | HB31 | 120.0° | 120.0° |
| CA3 | CB3 | HB21 | HB31 | 120.0° | 120.0° |
| CB3 | CA3 | C3 | H43 | 89.9° | 175.0° |
| HA4 | CA3 | C3 | O3 | 88.6° | 175.1° |
| HA4 | CA3 | C3 | C11 | 30.8° | 55.0° |
| HA4 | CA3 | CB3 | HB1 | 62.4° | 179.9° |
| HA4 | CA3 | CB3 | HB21 | 57.6° | 60.0° |
| HA4 | CA3 | CB3 | HB31 | 177.7° | 60.0° |
| HA4 | CA3 | C3 | H43 | 150.7° | 65.0° |
| O3 | C3 | C11 | H43 | 120.7° | 120.0° |
| O3 | C3 | C11 | O11 | 173.6° | 5.0° |
| O3 | C3 | C11 | N21 | 7.5° | 175.0° |
| C3 | C11 | O11 | N21 | 178.8° | 180.0° |
| C3 | C11 | N21 | C31 | 179.0° | 180.0° |
| C3 | C11 | N21 | HN2 | 1.0° | 0.1° |
| C11 | C3 | O3 | H44 | 59.2° | 60.0° |
| HB1 | CB3 | HB21 | HB31 | 120.0° | 120.0° |
| O11 | C11 | N21 | C31 | 0.2° | 0.0° |
| O11 | C11 | N21 | HN2 | 179.8° | 180.0° |
| O11 | C11 | C3 | H43 | 65.7° | 125.0° |
| C11 | N21 | C31 | HN2 | 180.0° | 179.9° |
| C11 | N21 | C31 | C4 | 101.3° | 180.0° |
| C11 | N21 | C31 | H311 | 138.7° | 60.0° |
| C11 | N21 | C31 | H321 | 18.6° | 60.1° |
| N21 | C11 | C3 | H43 | 113.2° | 54.9° |
| N21 | C31 | C4 | H311 | 120.0° | 120.0° |
| N21 | C31 | C4 | H321 | 120.0° | 120.0° |
| N21 | C31 | H311 | H321 | 119.3° | 120.1° |
| N21 | C31 | C4 | C5 | 79.5° | 90.0° |
| N21 | C31 | C4 | C9 | 101.9° | 90.2° |
| HN2 | N21 | C31 | C4 | 78.7° | 0.1° |
| HN2 | N21 | C31 | H311 | 41.3° | 119.9° |
| HN2 | N21 | C31 | H321 | 161.4° | 120.0° |
| C4 | C31 | H311 | H321 | 119.3° | 120.0° |
| C31 | C4 | C5 | C9 | 178.7° | 179.7° |
| C31 | C4 | C5 | C6 | 178.7° | 180.0° |
| C31 | C4 | C5 | H5 | 1.3° | 0.0° |
| C31 | C4 | C9 | C8 | 178.7° | 179.8° |
| C31 | C4 | C9 | H9 | 1.2° | 0.0° |
| H311 | C31 | C4 | C5 | 160.5° | 30.0° |
| H311 | C31 | C4 | C9 | 18.1° | 149.8° |
| H321 | C31 | C4 | C5 | 40.5° | 150.0° |
| H321 | C31 | C4 | C9 | 138.1° | 29.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 0.1° | 0.5° |
| C5 | C4 | C9 | H9 | 179.9° | 179.7° |
| C9 | C4 | C5 | C6 | 0.1° | 0.3° |
| C9 | C4 | C5 | H5 | 179.9° | 179.7° |
| C4 | C9 | C8 | C7 | 0.0° | 0.5° |
| C4 | C9 | C8 | H9 | 180.0° | 179.8° |
| C4 | C9 | C8 | H8 | 179.9° | 179.8° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | I7 | 178.5° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.1° |
| H5 | C5 | C6 | C7 | 179.9° | 179.9° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| C6 | C7 | I7 | C8 | 178.7° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C6 | C7 | C8 | H8 | 179.8° | 180.0° |
| H6 | C6 | C7 | I7 | 1.4° | 0.0° |
| H6 | C6 | C7 | C8 | 179.8° | 180.0° |
| I7 | C7 | C8 | C9 | 178.6° | 179.8° |
| I7 | C7 | C8 | H8 | 1.5° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.7° |
| C7 | C8 | C9 | H9 | 180.0° | 179.7° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| H43 | C3 | O3 | H44 | 60.8° | 180.0° |
