PRD_000263
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C | doub | 1.21Å | 1.27Å | |
| C | O2 | sing | 1.35Å | 1.42Å | |
| O2 | CT | sing | 1.45Å | 1.42Å | |
| CT | C1 | sing | 1.53Å | 1.53Å | |
| CT | C2 | sing | 1.53Å | 1.53Å | |
| CT | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C4 | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C4 | O | doub | 1.21Å | 1.23Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| N1 | CA1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | C5 | sing | 1.51Å | 1.53Å | |
| CA1 | CB1 | sing | 1.53Å | 1.54Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | doub | 1.21Å | 1.24Å | |
| CB1 | CG1 | sing | 1.51Å | 1.53Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | ND1 | sing | 1.34Å | 1.40Å | Aromatic |
| CG1 | CD21 | doub | 1.35Å | 1.36Å | Aromatic |
| ND1 | CE11 | doub | 1.31Å | 1.33Å | Aromatic |
| ND1 | HD11 | sing | 0.97Å | 1.00Å | |
| CD21 | NE2 | sing | 1.37Å | 1.36Å | Aromatic |
| CD21 | HD21 | sing | 1.08Å | 1.08Å | |
| CE11 | NE2 | sing | 1.35Å | 1.32Å | Aromatic |
| CE11 | HE11 | sing | 1.08Å | 1.08Å | |
| NE2 | HE21 | sing | 0.97Å | 1.00Å | |
| N2 | CA2 | sing | 1.47Å | 1.48Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| CA2 | CB2 | sing | 1.53Å | 1.52Å | |
| CA2 | CH | sing | 1.53Å | 1.53Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | CG2 | sing | 1.53Å | 1.53Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CB2 | HB32 | sing | 1.09Å | 1.10Å | |
| CG2 | CD11 | sing | 1.53Å | 1.54Å | |
| CG2 | CD22 | sing | 1.53Å | 1.41Å | |
| CG2 | HG | sing | 1.09Å | 1.10Å | |
| CD11 | CE12 | sing | 1.53Å | 1.54Å | |
| CD11 | HD12 | sing | 1.09Å | 1.10Å | |
| CD11 | HD13 | sing | 1.09Å | 1.10Å | |
| CD22 | CE21 | sing | 1.53Å | 1.54Å | |
| CD22 | HD23 | sing | 1.09Å | 1.10Å | |
| CD22 | HD22 | sing | 1.09Å | 1.10Å | |
| CE12 | CZ1 | sing | 1.53Å | 1.53Å | |
| CE12 | HE12 | sing | 1.09Å | 1.10Å | |
| CE12 | HE13 | sing | 1.09Å | 1.10Å | |
| CE21 | CZ1 | sing | 1.53Å | 1.53Å | |
| CE21 | HE23 | sing | 1.09Å | 1.10Å | |
| CE21 | HE22 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ2 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ3 | sing | 1.09Å | 1.10Å | |
| CH | OH | sing | 1.43Å | 1.43Å | |
| CH | CM | sing | 1.53Å | 1.52Å | |
| CH | HH | sing | 1.09Å | 1.10Å | |
| OH | HO | sing | 0.97Å | 0.95Å | |
| CM | CA21 | sing | 1.53Å | 1.47Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CA21 | CB21 | sing | 1.53Å | 1.46Å | |
| CA21 | C6 | sing | 1.51Å | 1.35Å | |
| CA21 | HA21 | sing | 1.09Å | 1.10Å | |
| CB21 | CG21 | sing | 1.53Å | 1.52Å | |
| CB21 | HB23 | sing | 1.09Å | 1.10Å | |
| CB21 | HB24 | sing | 1.09Å | 1.10Å | |
| CG21 | CD3 | sing | 1.53Å | 1.53Å | |
| CG21 | CD4 | sing | 1.53Å | 1.53Å | |
| CG21 | HG2 | sing | 1.09Å | 1.10Å | |
| CD3 | HD31 | sing | 1.09Å | 1.10Å | |
| CD3 | HD32 | sing | 1.09Å | 1.10Å | |
| CD3 | HD33 | sing | 1.09Å | 1.10Å | |
| CD4 | HD41 | sing | 1.09Å | 1.10Å | |
| CD4 | HD42 | sing | 1.09Å | 1.10Å | |
| CD4 | HD43 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | doub | 1.21Å | 1.24Å | |
| N3 | CA3 | sing | 1.47Å | 1.49Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| CA3 | C7 | sing | 1.51Å | 1.53Å | |
| CA3 | CB3 | sing | 1.53Å | 1.53Å | |
| CA3 | HA3 | sing | 1.09Å | 1.10Å | |
| C7 | O5 | doub | 1.21Å | 1.24Å | |
| CB3 | CG3 | sing | 1.53Å | 1.53Å | |
| CB3 | HB25 | sing | 1.09Å | 1.10Å | |
| CB3 | HB33 | sing | 1.09Å | 1.10Å | |
| CG3 | CD | sing | 1.53Å | 1.52Å | |
| CG3 | HG21 | sing | 1.09Å | 1.10Å | |
| CG3 | HG3 | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.52Å | |
| CD | HD24 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.47Å | |
| CE | HE24 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 1.01Å | 1.00Å | |
| NZ | HZ21 | sing | 1.01Å | 1.00Å | |
| NZ | HZ31 | sing | 1.01Å | 1.00Å | |
| N4 | CA4 | sing | 1.47Å | 0.00Å | |
| N4 | H4 | sing | 0.97Å | 0.00Å | |
| CA4 | C8 | sing | 1.51Å | 0.00Å | |
| CA4 | CB4 | sing | 1.53Å | 0.00Å | |
| CA4 | HA4 | sing | 1.09Å | 0.00Å | |
| C8 | O6 | doub | 1.21Å | 0.00Å | |
| C8 | OXT | sing | 1.34Å | 0.00Å | |
| CB4 | CG4 | sing | 1.51Å | 0.00Å | |
| CB4 | HB26 | sing | 1.09Å | 0.00Å | |
| CB4 | HB34 | sing | 1.09Å | 0.00Å | |
| CG4 | CD12 | doub | 1.38Å | 0.00Å | Aromatic |
| CG4 | CD23 | sing | 1.38Å | 0.00Å | Aromatic |
| CD12 | CE13 | sing | 1.38Å | 0.00Å | Aromatic |
| CD12 | HD14 | sing | 1.08Å | 0.00Å | |
| CD23 | CE22 | doub | 1.38Å | 0.00Å | Aromatic |
| CD23 | HD25 | sing | 1.08Å | 0.00Å | |
| CE13 | CZ2 | doub | 1.38Å | 0.00Å | Aromatic |
| CE13 | HE14 | sing | 1.08Å | 0.00Å | |
| CE22 | CZ2 | sing | 1.38Å | 0.00Å | Aromatic |
| CE22 | HE25 | sing | 1.08Å | 0.00Å | |
| CZ2 | HZ4 | sing | 1.08Å | 0.00Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| C | N | sing | 1.35Å | 1.31Å | |
| C4 | N1 | sing | 1.35Å | 1.32Å | |
| C5 | N2 | sing | 1.35Å | 1.32Å | |
| C6 | N3 | sing | 1.35Å | 1.33Å | |
| C7 | N4 | sing | 1.35Å | 41.04Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | O2 | 120.7° | 120.0° |
| O1 | C | N | 125.3° | 120.0° |
| C | O2 | CT | 114.5° | 117.0° |
| O2 | C | N | 114.0° | 120.0° |
| O2 | CT | C1 | 109.3° | 109.4° |
| O2 | CT | C2 | 109.6° | 109.5° |
| O2 | CT | C3 | 109.4° | 109.5° |
| C1 | CT | C2 | 109.8° | 109.4° |
| C1 | CT | C3 | 108.9° | 109.4° |
| CT | C1 | H11 | 109.5° | 109.5° |
| CT | C1 | H12 | 109.5° | 109.4° |
| CT | C1 | H13 | 109.4° | 109.5° |
| C2 | CT | C3 | 109.8° | 109.5° |
| CT | C2 | H21 | 109.5° | 109.4° |
| CT | C2 | H22 | 109.4° | 109.5° |
| CT | C2 | H23 | 109.4° | 109.5° |
| CT | C3 | H31 | 109.5° | 109.5° |
| CT | C3 | H32 | 109.5° | 109.5° |
| CT | C3 | H33 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| H21 | C2 | H23 | 109.5° | 109.4° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| CA | N | H | 118.8° | 120.0° |
| N | CA | C4 | 110.3° | 109.5° |
| N | CA | CB | 109.6° | 109.5° |
| N | CA | HA | 107.9° | 109.5° |
| CA | N | C | 122.3° | 120.0° |
| H | N | C | 118.9° | 120.0° |
| C4 | CA | CB | 106.5° | 109.5° |
| C4 | CA | HA | 110.9° | 109.5° |
| CA | C4 | O | 121.2° | 120.0° |
| CA | C4 | N1 | 115.6° | 120.0° |
| CB | CA | HA | 111.6° | 109.4° |
| CA | CB | CG | 112.8° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CA | CB | HB3 | 107.6° | 109.5° |
| O | C4 | N1 | 123.2° | 120.0° |
| CG | CB | HB2 | 108.4° | 109.4° |
| CG | CB | HB3 | 107.6° | 109.5° |
| CB | CG | CD1 | 119.2° | 120.0° |
| CB | CG | CD2 | 120.4° | 119.9° |
| HB2 | CB | HB3 | 112.1° | 109.5° |
| CD1 | CG | CD2 | 120.4° | 120.0° |
| CG | CD1 | CE1 | 120.0° | 120.0° |
| CG | CD1 | HD1 | 120.0° | 120.0° |
| CG | CD2 | CE2 | 119.7° | 119.9° |
| CG | CD2 | HD2 | 120.2° | 120.0° |
| CE1 | CD1 | HD1 | 120.0° | 120.0° |
| CD1 | CE1 | CZ | 120.0° | 120.0° |
| CD1 | CE1 | HE1 | 120.0° | 120.0° |
| CE2 | CD2 | HD2 | 120.2° | 120.0° |
| CD2 | CE2 | CZ | 119.9° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | HE1 | 120.0° | 120.0° |
| CE1 | CZ | CE2 | 120.1° | 120.0° |
| CE1 | CZ | HZ | 120.0° | 120.0° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CZ | HZ | 119.9° | 120.0° |
| CA1 | N1 | H1 | 119.7° | 119.9° |
| N1 | CA1 | C5 | 108.6° | 109.5° |
| N1 | CA1 | CB1 | 117.0° | 109.5° |
| N1 | CA1 | HA1 | 103.0° | 109.5° |
| CA1 | N1 | C4 | 120.7° | 120.0° |
| H1 | N1 | C4 | 119.6° | 120.1° |
| C5 | CA1 | CB1 | 102.8° | 109.5° |
| C5 | CA1 | HA1 | 117.2° | 109.5° |
| CA1 | C5 | O3 | 121.0° | 119.9° |
| CA1 | C5 | N2 | 116.7° | 120.0° |
| CB1 | CA1 | HA1 | 108.8° | 109.4° |
| CA1 | CB1 | CG1 | 119.5° | 109.5° |
| CA1 | CB1 | HB21 | 106.3° | 109.5° |
| CA1 | CB1 | HB31 | 103.9° | 109.4° |
| O3 | C5 | N2 | 122.2° | 120.1° |
| CG1 | CB1 | HB21 | 106.2° | 109.5° |
| CG1 | CB1 | HB31 | 104.0° | 109.5° |
| CB1 | CG1 | ND1 | 124.3° | 126.0° |
| CB1 | CG1 | CD21 | 129.1° | 126.0° |
| HB21 | CB1 | HB31 | 117.7° | 109.4° |
| ND1 | CG1 | CD21 | 106.5° | 108.0° |
| CG1 | ND1 | CE11 | 107.6° | 109.3° |
| CG1 | ND1 | HD11 | 126.2° | 125.4° |
| CG1 | CD21 | NE2 | 107.2° | 106.8° |
| CG1 | CD21 | HD21 | 126.4° | 126.6° |
| CE11 | ND1 | HD11 | 126.2° | 125.3° |
| ND1 | CE11 | NE2 | 108.9° | 108.7° |
| ND1 | CE11 | HE11 | 125.6° | 125.7° |
| NE2 | CD21 | HD21 | 126.4° | 126.6° |
| CD21 | NE2 | CE11 | 109.8° | 107.2° |
| CD21 | NE2 | HE21 | 125.1° | 126.5° |
| NE2 | CE11 | HE11 | 125.5° | 125.7° |
| CE11 | NE2 | HE21 | 125.1° | 126.3° |
| CA2 | N2 | H2 | 119.5° | 120.0° |
| N2 | CA2 | CB2 | 111.6° | 109.5° |
| N2 | CA2 | CH | 109.9° | 109.5° |
| N2 | CA2 | HA2 | 107.5° | 109.4° |
| CA2 | N2 | C5 | 121.0° | 120.0° |
| H2 | N2 | C5 | 119.5° | 120.0° |
| CB2 | CA2 | CH | 108.8° | 109.5° |
| CB2 | CA2 | HA2 | 108.6° | 109.4° |
| CA2 | CB2 | CG2 | 113.7° | 109.5° |
| CA2 | CB2 | HB22 | 108.1° | 109.5° |
| CA2 | CB2 | HB32 | 107.1° | 109.5° |
| CH | CA2 | HA2 | 110.4° | 109.5° |
| CA2 | CH | OH | 109.5° | 109.5° |
| CA2 | CH | CM | 107.5° | 109.5° |
| CA2 | CH | HH | 111.4° | 109.5° |
| CG2 | CB2 | HB22 | 108.1° | 109.5° |
| CG2 | CB2 | HB32 | 107.1° | 109.4° |
| CB2 | CG2 | CD11 | 110.6° | 109.5° |
| CB2 | CG2 | CD22 | 108.8° | 109.5° |
| CB2 | CG2 | HG | 109.5° | 109.5° |
| HB22 | CB2 | HB32 | 112.8° | 109.4° |
| CD11 | CG2 | CD22 | 110.3° | 109.5° |
| CD11 | CG2 | HG | 107.9° | 109.5° |
| CG2 | CD11 | CE12 | 110.5° | 109.5° |
| CG2 | CD11 | HD12 | 109.1° | 109.5° |
| CG2 | CD11 | HD13 | 108.9° | 109.5° |
| CD22 | CG2 | HG | 109.8° | 109.5° |
| CG2 | CD22 | CE21 | 110.9° | 109.5° |
| CG2 | CD22 | HD23 | 109.0° | 109.5° |
| CG2 | CD22 | HD22 | 108.7° | 109.5° |
| CE12 | CD11 | HD12 | 109.1° | 109.4° |
| CE12 | CD11 | HD13 | 108.9° | 109.5° |
| CD11 | CE12 | CZ1 | 109.7° | 109.5° |
| CD11 | CE12 | HE12 | 109.4° | 109.5° |
| CD11 | CE12 | HE13 | 109.4° | 109.5° |
| HD12 | CD11 | HD13 | 110.3° | 109.5° |
| CE21 | CD22 | HD23 | 109.0° | 109.5° |
| CE21 | CD22 | HD22 | 108.7° | 109.5° |
| CD22 | CE21 | CZ1 | 110.2° | 109.5° |
| CD22 | CE21 | HE23 | 109.2° | 109.5° |
| CD22 | CE21 | HE22 | 109.0° | 109.4° |
| HD23 | CD22 | HD22 | 110.6° | 109.4° |
| CZ1 | CE12 | HE12 | 109.4° | 109.5° |
| CZ1 | CE12 | HE13 | 109.3° | 109.5° |
| CE12 | CZ1 | CE21 | 109.4° | 109.5° |
| CE12 | CZ1 | HZ2 | 109.5° | 109.5° |
| CE12 | CZ1 | HZ3 | 109.5° | 109.5° |
| HE12 | CE12 | HE13 | 109.7° | 109.4° |
| CZ1 | CE21 | HE23 | 109.2° | 109.5° |
| CZ1 | CE21 | HE22 | 109.1° | 109.5° |
| CE21 | CZ1 | HZ2 | 109.5° | 109.5° |
| CE21 | CZ1 | HZ3 | 109.5° | 109.5° |
| HE23 | CE21 | HE22 | 110.1° | 109.5° |
| HZ2 | CZ1 | HZ3 | 109.5° | 109.4° |
| OH | CH | CM | 111.3° | 109.4° |
| OH | CH | HH | 107.6° | 109.5° |
| CH | OH | HO | 109.5° | 114.0° |
| CM | CH | HH | 109.6° | 109.4° |
| CH | CM | CA21 | 112.2° | 109.5° |
| CH | CM | HM1 | 108.6° | 109.5° |
| CH | CM | HM2 | 107.9° | 109.5° |
| CA21 | CM | HM1 | 108.6° | 109.5° |
| CA21 | CM | HM2 | 107.9° | 109.5° |
| CM | CA21 | CB21 | 108.6° | 109.5° |
| CM | CA21 | C6 | 110.3° | 109.5° |
| CM | CA21 | HA21 | 109.4° | 109.5° |
| HM1 | CM | HM2 | 111.6° | 109.4° |
| CB21 | CA21 | C6 | 108.9° | 109.4° |
| CB21 | CA21 | HA21 | 110.7° | 109.5° |
| CA21 | CB21 | CG21 | 108.7° | 109.5° |
| CA21 | CB21 | HB23 | 109.7° | 109.5° |
| CA21 | CB21 | HB24 | 109.9° | 109.4° |
| C6 | CA21 | HA21 | 109.0° | 109.5° |
| CA21 | C6 | O4 | 121.1° | 120.0° |
| CA21 | C6 | N3 | 116.1° | 120.0° |
| CG21 | CB21 | HB23 | 109.7° | 109.5° |
| CG21 | CB21 | HB24 | 109.9° | 109.5° |
| CB21 | CG21 | CD3 | 110.2° | 109.5° |
| CB21 | CG21 | CD4 | 110.5° | 109.5° |
| CB21 | CG21 | HG2 | 108.2° | 109.5° |
| HB23 | CB21 | HB24 | 108.9° | 109.5° |
| CD3 | CG21 | CD4 | 109.2° | 109.4° |
| CD3 | CG21 | HG2 | 109.5° | 109.4° |
| CG21 | CD3 | HD31 | 109.5° | 109.4° |
| CG21 | CD3 | HD32 | 109.5° | 109.5° |
| CG21 | CD3 | HD33 | 109.4° | 109.4° |
| CD4 | CG21 | HG2 | 109.2° | 109.5° |
| CG21 | CD4 | HD41 | 109.5° | 109.4° |
| CG21 | CD4 | HD42 | 109.5° | 109.5° |
| CG21 | CD4 | HD43 | 109.5° | 109.5° |
| HD31 | CD3 | HD32 | 109.5° | 109.5° |
| HD31 | CD3 | HD33 | 109.5° | 109.4° |
| HD32 | CD3 | HD33 | 109.5° | 109.5° |
| HD41 | CD4 | HD42 | 109.4° | 109.5° |
| HD41 | CD4 | HD43 | 109.5° | 109.5° |
| HD42 | CD4 | HD43 | 109.5° | 109.5° |
| O4 | C6 | N3 | 122.7° | 120.0° |
| CA3 | N3 | H3 | 118.7° | 120.0° |
| N3 | CA3 | C7 | 112.7° | 109.4° |
| N3 | CA3 | CB3 | 110.0° | 109.5° |
| N3 | CA3 | HA3 | 107.2° | 109.4° |
| CA3 | N3 | C6 | 122.5° | 120.0° |
| H3 | N3 | C6 | 118.7° | 120.0° |
| C7 | CA3 | CB3 | 110.4° | 109.5° |
| C7 | CA3 | HA3 | 106.8° | 109.4° |
| CA3 | C7 | O5 | 122.0° | 120.0° |
| CA3 | C7 | N4 | 77.7° | 120.0° |
| CB3 | CA3 | HA3 | 109.6° | 109.5° |
| CA3 | CB3 | CG3 | 112.6° | 109.5° |
| CA3 | CB3 | HB25 | 108.5° | 109.5° |
| CA3 | CB3 | HB33 | 107.7° | 109.5° |
| O5 | C7 | N4 | 84.6° | 120.0° |
| CG3 | CB3 | HB25 | 108.4° | 109.4° |
| CG3 | CB3 | HB33 | 107.7° | 109.5° |
| CB3 | CG3 | CD | 111.8° | 109.5° |
| CB3 | CG3 | HG21 | 108.7° | 109.4° |
| CB3 | CG3 | HG3 | 108.2° | 109.5° |
| HB25 | CB3 | HB33 | 111.9° | 109.5° |
| CD | CG3 | HG21 | 108.7° | 109.5° |
| CD | CG3 | HG3 | 108.2° | 109.5° |
| CG3 | CD | CE | 113.0° | 109.5° |
| CG3 | CD | HD24 | 108.3° | 109.5° |
| CG3 | CD | HD3 | 107.5° | 109.4° |
| HG21 | CG3 | HG3 | 111.3° | 109.5° |
| CE | CD | HD24 | 108.3° | 109.5° |
| CE | CD | HD3 | 107.5° | 109.5° |
| CD | CE | NZ | 112.8° | 109.5° |
| CD | CE | HE24 | 108.4° | 109.5° |
| CD | CE | HE3 | 107.7° | 109.5° |
| HD24 | CD | HD3 | 112.3° | 109.5° |
| NZ | CE | HE24 | 108.4° | 109.4° |
| NZ | CE | HE3 | 107.6° | 109.4° |
| CE | NZ | HZ1 | 109.5° | 109.5° |
| CE | NZ | HZ21 | 109.5° | 109.5° |
| CE | NZ | HZ31 | 109.4° | 109.4° |
| HE24 | CE | HE3 | 112.1° | 109.5° |
| HZ1 | NZ | HZ21 | 109.5° | 109.5° |
| HZ1 | NZ | HZ31 | 109.5° | 109.4° |
| HZ21 | NZ | HZ31 | 109.5° | 109.5° |
| CA4 | N4 | H4 | 90.0° | 120.0° |
| N4 | CA4 | C8 | 90.0° | 109.5° |
| N4 | CA4 | CB4 | 90.0° | 109.4° |
| N4 | CA4 | HA4 | 90.0° | 109.5° |
| CA4 | N4 | C7 | 90.0° | 120.0° |
| H4 | N4 | C7 | 90.0° | 120.0° |
| C8 | CA4 | CB4 | 90.0° | 109.5° |
| C8 | CA4 | HA4 | 90.0° | 109.5° |
| CA4 | C8 | O6 | 90.0° | 120.0° |
| CA4 | C8 | OXT | 90.0° | 120.0° |
| CB4 | CA4 | HA4 | 90.0° | 109.5° |
| CA4 | CB4 | CG4 | 90.0° | 109.5° |
| CA4 | CB4 | HB26 | 90.0° | 109.4° |
| CA4 | CB4 | HB34 | 90.0° | 109.5° |
| O6 | C8 | OXT | 90.0° | 120.0° |
| C8 | OXT | HXT | 90.0° | 117.0° |
| CG4 | CB4 | HB26 | 90.0° | 109.5° |
| CG4 | CB4 | HB34 | 90.0° | 109.5° |
| CB4 | CG4 | CD12 | 90.0° | 120.0° |
| CB4 | CG4 | CD23 | 90.0° | 120.0° |
| HB26 | CB4 | HB34 | 90.0° | 109.5° |
| CD12 | CG4 | CD23 | 90.0° | 120.0° |
| CG4 | CD12 | CE13 | 90.0° | 120.0° |
| CG4 | CD12 | HD14 | 90.0° | 120.0° |
| CG4 | CD23 | CE22 | 90.0° | 120.0° |
| CG4 | CD23 | HD25 | 90.0° | 120.0° |
| CE13 | CD12 | HD14 | 90.0° | 120.0° |
| CD12 | CE13 | CZ2 | 90.0° | 120.0° |
| CD12 | CE13 | HE14 | 90.0° | 120.0° |
| CE22 | CD23 | HD25 | 90.0° | 120.0° |
| CD23 | CE22 | CZ2 | 90.0° | 120.0° |
| CD23 | CE22 | HE25 | 90.0° | 120.0° |
| CZ2 | CE13 | HE14 | 90.0° | 120.0° |
| CE13 | CZ2 | CE22 | 90.0° | 120.0° |
| CE13 | CZ2 | HZ4 | 90.0° | 120.0° |
| CZ2 | CE22 | HE25 | 90.0° | 120.0° |
| CE22 | CZ2 | HZ4 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | O2 | N | 179.9° | 179.6° |
| O1 | C | O2 | CT | 17.9° | 0.1° |
| O1 | C | N | CA | 1.3° | 0.1° |
| O1 | C | N | H | 178.7° | 180.0° |
| C | O2 | CT | C1 | 45.1° | 60.0° |
| C | O2 | CT | C2 | 165.5° | 180.0° |
| C | O2 | CT | C3 | 74.1° | 59.9° |
| O2 | C | N | CA | 178.8° | 179.7° |
| O2 | C | N | H | 1.1° | 0.4° |
| O2 | CT | C1 | C2 | 120.2° | 120.0° |
| O2 | CT | C1 | C3 | 119.5° | 120.0° |
| O2 | CT | C2 | C3 | 120.2° | 120.1° |
| O2 | CT | C1 | H11 | 127.8° | 60.0° |
| O2 | CT | C1 | H12 | 7.8° | 180.0° |
| O2 | CT | C1 | H13 | 112.2° | 60.0° |
| O2 | CT | C2 | H21 | 49.9° | 60.0° |
| O2 | CT | C2 | H22 | 70.1° | 180.0° |
| O2 | CT | C2 | H23 | 169.9° | 59.9° |
| O2 | CT | C3 | H31 | 158.5° | 60.0° |
| O2 | CT | C3 | H32 | 38.5° | 180.0° |
| O2 | CT | C3 | H33 | 81.5° | 60.0° |
| CT | O2 | C | N | 162.0° | 179.7° |
| C1 | CT | C2 | C3 | 119.7° | 120.0° |
| CT | C1 | H11 | H12 | 120.0° | 120.0° |
| CT | C1 | H11 | H13 | 120.0° | 120.0° |
| CT | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | CT | C2 | H21 | 170.0° | 180.0° |
| C1 | CT | C2 | H22 | 50.0° | 60.0° |
| C1 | CT | C2 | H23 | 70.0° | 60.0° |
| C1 | CT | C3 | H31 | 39.0° | 60.0° |
| C1 | CT | C3 | H32 | 80.9° | 60.0° |
| C1 | CT | C3 | H33 | 159.0° | 180.0° |
| C2 | CT | C1 | H11 | 7.6° | 60.0° |
| C2 | CT | C1 | H12 | 112.4° | 60.0° |
| C2 | CT | C1 | H13 | 127.6° | 180.0° |
| CT | C2 | H21 | H22 | 120.0° | 120.0° |
| CT | C2 | H21 | H23 | 120.0° | 120.0° |
| CT | C2 | H22 | H23 | 120.0° | 120.1° |
| C2 | CT | C3 | H31 | 81.2° | 180.0° |
| C2 | CT | C3 | H32 | 158.8° | 59.9° |
| C2 | CT | C3 | H33 | 38.8° | 60.1° |
| C3 | CT | C1 | H11 | 112.7° | 180.0° |
| C3 | CT | C1 | H12 | 127.3° | 60.0° |
| C3 | CT | C1 | H13 | 7.3° | 60.0° |
| C3 | CT | C2 | H21 | 70.2° | 60.0° |
| C3 | CT | C2 | H22 | 169.7° | 60.0° |
| C3 | CT | C2 | H23 | 49.7° | 180.0° |
| CT | C3 | H31 | H32 | 120.0° | 120.0° |
| CT | C3 | H31 | H33 | 120.0° | 119.9° |
| CT | C3 | H32 | H33 | 120.0° | 120.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| CA | N | H | C | 180.0° | 179.9° |
| N | CA | C4 | CB | 118.9° | 120.0° |
| N | CA | C4 | HA | 119.5° | 120.0° |
| N | CA | CB | HA | 119.4° | 120.0° |
| N | CA | C4 | O | 35.1° | 0.1° |
| N | CA | CB | CG | 75.0° | 64.9° |
| N | CA | CB | HB2 | 45.0° | 55.0° |
| N | CA | CB | HB3 | 166.5° | 175.0° |
| N | CA | C4 | N1 | 143.3° | 180.0° |
| H | N | CA | C4 | 99.7° | 25.1° |
| H | N | CA | CB | 17.3° | 95.0° |
| H | N | CA | HA | 138.9° | 145.0° |
| C4 | CA | CB | HA | 121.2° | 120.0° |
| CA | C4 | O | N1 | 178.3° | 179.9° |
| C4 | CA | CB | CG | 165.7° | 175.0° |
| C4 | CA | CB | HB2 | 74.3° | 65.0° |
| C4 | CA | CB | HB3 | 47.1° | 55.0° |
| CA | C4 | N1 | CA1 | 169.2° | 180.0° |
| CA | C4 | N1 | H1 | 10.8° | 0.1° |
| C4 | CA | N | C | 80.2° | 155.0° |
| CB | CA | C4 | O | 83.8° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 118.6° | 120.1° |
| CA | CB | HB2 | HB3 | 118.7° | 120.0° |
| CA | CB | CG | CD1 | 43.0° | 90.0° |
| CA | CB | CG | CD2 | 136.9° | 90.3° |
| CB | CA | N | C | 162.8° | 84.9° |
| CB | CA | C4 | N1 | 97.7° | 59.9° |
| HA | CA | C4 | O | 154.6° | 120.1° |
| HA | CA | CB | CG | 44.5° | 55.0° |
| HA | CA | CB | HB2 | 164.5° | 175.0° |
| HA | CA | CB | HB3 | 74.1° | 65.0° |
| HA | CA | N | C | 41.1° | 35.0° |
| HA | CA | C4 | N1 | 23.8° | 60.0° |
| O | C4 | N1 | CA1 | 12.4° | 0.1° |
| O | C4 | N1 | H1 | 167.6° | 180.0° |
| CG | CB | HB2 | HB3 | 118.6° | 120.0° |
| CB | CG | CD1 | CD2 | 179.9° | 179.7° |
| CB | CG | CD1 | CE1 | 179.6° | 180.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.1° |
| CB | CG | CD2 | CE2 | 179.5° | 180.0° |
| CB | CG | CD2 | HD2 | 0.4° | 0.0° |
| HB2 | CB | CG | CD1 | 163.0° | 30.0° |
| HB2 | CB | CG | CD2 | 16.9° | 149.7° |
| HB3 | CB | CG | CD1 | 75.6° | 149.9° |
| HB3 | CB | CG | CD2 | 104.5° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CG | CD1 | CE1 | HE1 | 180.0° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.8° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.2° |
| CD1 | CE1 | CZ | HZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 180.0° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.0° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | HZ | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.2° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 179.8° |
| HE1 | CE1 | CZ | HZ | 0.1° | 0.1° |
| HE2 | CE2 | CZ | HZ | 0.0° | 0.0° |
| CA1 | N1 | H1 | C4 | 180.0° | 180.0° |
| N1 | CA1 | C5 | CB1 | 124.6° | 120.0° |
| N1 | CA1 | C5 | HA1 | 116.1° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 116.2° | 120.0° |
| N1 | CA1 | C5 | O3 | 94.5° | 0.0° |
| N1 | CA1 | CB1 | CG1 | 41.0° | 65.0° |
| N1 | CA1 | CB1 | HB21 | 78.9° | 55.1° |
| N1 | CA1 | CB1 | HB31 | 156.2° | 175.0° |
| N1 | CA1 | C5 | N2 | 84.7° | 180.0° |
| H1 | N1 | CA1 | C5 | 55.2° | 25.0° |
| H1 | N1 | CA1 | CB1 | 60.5° | 95.0° |
| H1 | N1 | CA1 | HA1 | 179.9° | 145.1° |
| C5 | CA1 | CB1 | HA1 | 124.9° | 120.0° |
| CA1 | C5 | O3 | N2 | 179.2° | 180.0° |
| C5 | CA1 | CB1 | CG1 | 159.9° | 175.0° |
| C5 | CA1 | CB1 | HB21 | 39.9° | 65.0° |
| C5 | CA1 | CB1 | HB31 | 84.9° | 55.0° |
| CA1 | C5 | N2 | CA2 | 178.9° | 175.0° |
| CA1 | C5 | N2 | H2 | 1.1° | 5.0° |
| C5 | CA1 | N1 | C4 | 124.8° | 155.0° |
| CB1 | CA1 | C5 | O3 | 30.1° | 120.0° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB31 | 115.2° | 120.0° |
| CA1 | CB1 | HB21 | HB31 | 115.9° | 119.9° |
| CA1 | CB1 | CG1 | ND1 | 41.4° | 95.0° |
| CA1 | CB1 | CG1 | CD21 | 139.7° | 85.3° |
| CB1 | CA1 | N1 | C4 | 119.5° | 84.9° |
| CB1 | CA1 | C5 | N2 | 150.7° | 60.0° |
| HA1 | CA1 | C5 | O3 | 149.3° | 120.0° |
| HA1 | CA1 | CB1 | CG1 | 75.1° | 55.0° |
| HA1 | CA1 | CB1 | HB21 | 164.9° | 175.0° |
| HA1 | CA1 | CB1 | HB31 | 40.0° | 65.0° |
| HA1 | CA1 | N1 | C4 | 0.1° | 35.0° |
| HA1 | CA1 | C5 | N2 | 31.4° | 60.0° |
| O3 | C5 | N2 | CA2 | 1.9° | 5.0° |
| O3 | C5 | N2 | H2 | 178.1° | 174.9° |
| CG1 | CB1 | HB21 | HB31 | 115.9° | 120.0° |
| CB1 | CG1 | ND1 | CD21 | 179.1° | 179.7° |
| CB1 | CG1 | ND1 | CE11 | 179.3° | 180.0° |
| CB1 | CG1 | ND1 | HD11 | 0.7° | 0.0° |
| CB1 | CG1 | CD21 | NE2 | 179.3° | 180.0° |
| CB1 | CG1 | CD21 | HD21 | 0.7° | 0.0° |
| HB21 | CB1 | CG1 | ND1 | 161.4° | 25.0° |
| HB21 | CB1 | CG1 | CD21 | 19.7° | 154.7° |
| HB31 | CB1 | CG1 | ND1 | 73.8° | 145.0° |
| HB31 | CB1 | CG1 | CD21 | 105.1° | 34.7° |
| CG1 | ND1 | CE11 | HD11 | 180.0° | 179.9° |
| ND1 | CG1 | CD21 | NE2 | 0.3° | 0.2° |
| ND1 | CG1 | CD21 | HD21 | 179.7° | 179.8° |
| CG1 | ND1 | CE11 | NE2 | 0.1° | 0.1° |
| CG1 | ND1 | CE11 | HE11 | 179.9° | 180.0° |
| CD21 | CG1 | ND1 | CE11 | 0.2° | 0.2° |
| CD21 | CG1 | ND1 | HD11 | 179.8° | 179.7° |
| CG1 | CD21 | NE2 | HD21 | 180.0° | 180.0° |
| CG1 | CD21 | NE2 | CE11 | 0.3° | 0.2° |
| CG1 | CD21 | NE2 | HE21 | 179.8° | 180.0° |
| ND1 | CE11 | NE2 | CD21 | 0.1° | 0.0° |
| ND1 | CE11 | NE2 | HE11 | 180.0° | 179.8° |
| ND1 | CE11 | NE2 | HE21 | 179.9° | 179.9° |
| HD11 | ND1 | CE11 | NE2 | 179.9° | 179.8° |
| HD11 | ND1 | CE11 | HE11 | 0.1° | 0.0° |
| CD21 | NE2 | CE11 | HE21 | 180.0° | 179.8° |
| CD21 | NE2 | CE11 | HE11 | 179.9° | 179.8° |
| HD21 | CD21 | NE2 | CE11 | 179.8° | 179.9° |
| HD21 | CD21 | NE2 | HE21 | 0.2° | 0.0° |
| HE11 | CE11 | NE2 | HE21 | 0.1° | 0.0° |
| CA2 | N2 | H2 | C5 | 180.0° | 179.9° |
| N2 | CA2 | CB2 | CH | 121.5° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 118.3° | 119.9° |
| N2 | CA2 | CH | HA2 | 118.4° | 120.0° |
| N2 | CA2 | CB2 | CG2 | 57.6° | 178.2° |
| N2 | CA2 | CB2 | HB22 | 62.5° | 58.2° |
| N2 | CA2 | CB2 | HB32 | 175.7° | 61.8° |
| N2 | CA2 | CH | OH | 51.2° | 60.0° |
| N2 | CA2 | CH | CM | 69.9° | 60.0° |
| N2 | CA2 | CH | HH | 170.0° | 180.0° |
| H2 | N2 | CA2 | CB2 | 39.1° | 92.2° |
| H2 | N2 | CA2 | CH | 81.8° | 27.8° |
| H2 | N2 | CA2 | HA2 | 158.1° | 147.9° |
| CB2 | CA2 | CH | HA2 | 119.1° | 120.0° |
| CA2 | CB2 | CG2 | HB22 | 120.0° | 120.1° |
| CA2 | CB2 | CG2 | HB32 | 118.2° | 120.0° |
| CA2 | CB2 | HB22 | HB32 | 118.3° | 120.0° |
| CA2 | CB2 | CG2 | CD11 | 53.9° | 172.5° |
| CA2 | CB2 | CG2 | CD22 | 175.2° | 67.5° |
| CA2 | CB2 | CG2 | HG | 64.9° | 52.5° |
| CB2 | CA2 | CH | OH | 71.4° | 60.0° |
| CB2 | CA2 | CH | CM | 167.6° | 180.0° |
| CB2 | CA2 | CH | HH | 47.5° | 60.0° |
| CB2 | CA2 | N2 | C5 | 140.9° | 87.7° |
| CH | CA2 | CB2 | CG2 | 179.0° | 61.8° |
| CH | CA2 | CB2 | HB22 | 59.0° | 178.2° |
| CH | CA2 | CB2 | HB32 | 62.8° | 58.2° |
| CA2 | CH | OH | CM | 118.7° | 120.0° |
| CA2 | CH | OH | HH | 121.2° | 120.0° |
| CA2 | CH | CM | HH | 121.2° | 120.0° |
| CA2 | CH | OH | HO | 169.8° | 60.0° |
| CA2 | CH | CM | CA21 | 161.0° | 172.0° |
| CA2 | CH | CM | HM1 | 79.0° | 68.0° |
| CA2 | CH | CM | HM2 | 42.2° | 52.0° |
| CH | CA2 | N2 | C5 | 98.3° | 152.3° |
| HA2 | CA2 | CB2 | CG2 | 60.8° | 58.3° |
| HA2 | CA2 | CB2 | HB22 | 179.2° | 61.8° |
| HA2 | CA2 | CB2 | HB32 | 57.4° | 178.3° |
| HA2 | CA2 | CH | OH | 169.5° | 180.0° |
| HA2 | CA2 | CH | CM | 48.5° | 60.0° |
| HA2 | CA2 | CH | HH | 71.6° | 60.0° |
| HA2 | CA2 | N2 | C5 | 21.9° | 32.2° |
| CG2 | CB2 | HB22 | HB32 | 118.3° | 119.9° |
| CB2 | CG2 | CD11 | CD22 | 120.4° | 120.0° |
| CB2 | CG2 | CD11 | HG | 119.7° | 120.0° |
| CB2 | CG2 | CD22 | HG | 119.8° | 120.0° |
| CB2 | CG2 | CD11 | CE12 | 179.7° | 180.0° |
| CB2 | CG2 | CD11 | HD12 | 59.7° | 60.0° |
| CB2 | CG2 | CD11 | HD13 | 60.7° | 60.0° |
| CB2 | CG2 | CD22 | CE21 | 177.7° | NaN° |
| CB2 | CG2 | CD22 | HD23 | 57.7° | 59.9° |
| CB2 | CG2 | CD22 | HD22 | 62.9° | 60.0° |
| HB22 | CB2 | CG2 | CD11 | 173.9° | 67.4° |
| HB22 | CB2 | CG2 | CD22 | 64.8° | 52.6° |
| HB22 | CB2 | CG2 | HG | 55.1° | 172.6° |
| HB32 | CB2 | CG2 | CD11 | 64.3° | 52.5° |
| HB32 | CB2 | CG2 | CD22 | 57.0° | 172.5° |
| HB32 | CB2 | CG2 | HG | 176.9° | 67.5° |
| CD11 | CG2 | CD22 | HG | 118.7° | 120.0° |
| CG2 | CD11 | CE12 | HD12 | 120.0° | 120.0° |
| CG2 | CD11 | CE12 | HD13 | 119.6° | 120.0° |
| CG2 | CD11 | HD12 | HD13 | 119.6° | 120.1° |
| CD11 | CG2 | CD22 | CE21 | 60.8° | 60.0° |
| CD11 | CG2 | CD22 | HD23 | 179.2° | 180.0° |
| CD11 | CG2 | CD22 | HD22 | 58.6° | 60.0° |
| CG2 | CD11 | CE12 | CZ1 | 55.8° | 60.0° |
| CG2 | CD11 | CE12 | HE12 | 175.8° | 180.0° |
| CG2 | CD11 | CE12 | HE13 | 64.1° | 60.0° |
| CD22 | CG2 | CD11 | CE12 | 59.3° | 59.9° |
| CD22 | CG2 | CD11 | HD12 | 60.7° | 60.0° |
| CD22 | CG2 | CD11 | HD13 | 178.9° | 179.9° |
| CG2 | CD22 | CE21 | HD23 | 120.0° | 120.0° |
| CG2 | CD22 | CE21 | HD22 | 119.4° | 120.0° |
| CG2 | CD22 | HD23 | HD22 | 119.4° | 120.0° |
| CG2 | CD22 | CE21 | CZ1 | 60.9° | 60.0° |
| CG2 | CD22 | CE21 | HE23 | 59.0° | 60.1° |
| CG2 | CD22 | CE21 | HE22 | 179.4° | 180.0° |
| HG | CG2 | CD11 | CE12 | 60.6° | 60.0° |
| HG | CG2 | CD11 | HD12 | 179.4° | 180.0° |
| HG | CG2 | CD11 | HD13 | 59.0° | 60.0° |
| HG | CG2 | CD22 | CE21 | 58.0° | 60.0° |
| HG | CG2 | CD22 | HD23 | 62.1° | 60.1° |
| HG | CG2 | CD22 | HD22 | 177.4° | 180.0° |
| CE12 | CD11 | HD12 | HD13 | 119.6° | 120.0° |
| CD11 | CE12 | CZ1 | HE12 | 120.0° | 120.1° |
| CD11 | CE12 | CZ1 | HE13 | 119.9° | 120.0° |
| CD11 | CE12 | HE12 | HE13 | 119.9° | 120.0° |
| CD11 | CE12 | CZ1 | CE21 | 55.5° | 60.0° |
| CD11 | CE12 | CZ1 | HZ2 | 64.5° | 60.0° |
| CD11 | CE12 | CZ1 | HZ3 | 175.5° | 180.0° |
| HD12 | CD11 | CE12 | CZ1 | 64.2° | 60.0° |
| HD12 | CD11 | CE12 | HE12 | 55.8° | 60.0° |
| HD12 | CD11 | CE12 | HE13 | 175.9° | 180.0° |
| HD13 | CD11 | CE12 | CZ1 | 175.4° | 180.0° |
| HD13 | CD11 | CE12 | HE12 | 64.6° | 60.0° |
| HD13 | CD11 | CE12 | HE13 | 55.5° | 60.0° |
| CE21 | CD22 | HD23 | HD22 | 119.4° | 120.0° |
| CD22 | CE21 | CZ1 | CE12 | 56.9° | 60.0° |
| CD22 | CE21 | CZ1 | HE23 | 120.0° | 120.0° |
| CD22 | CE21 | CZ1 | HE22 | 119.7° | 120.0° |
| CD22 | CE21 | HE23 | HE22 | 119.7° | 119.9° |
| CD22 | CE21 | CZ1 | HZ2 | 63.1° | 60.0° |
| CD22 | CE21 | CZ1 | HZ3 | 176.9° | 180.0° |
| HD23 | CD22 | CE21 | CZ1 | 179.0° | 180.0° |
| HD23 | CD22 | CE21 | HE23 | 61.0° | 60.0° |
| HD23 | CD22 | CE21 | HE22 | 59.3° | 60.0° |
| HD22 | CD22 | CE21 | CZ1 | 58.5° | 60.0° |
| HD22 | CD22 | CE21 | HE23 | 178.4° | 180.0° |
| HD22 | CD22 | CE21 | HE22 | 61.2° | 60.0° |
| CZ1 | CE12 | HE12 | HE13 | 119.9° | 120.0° |
| CE12 | CZ1 | CE21 | HZ2 | 120.0° | 120.0° |
| CE12 | CZ1 | CE21 | HZ3 | 120.0° | 120.1° |
| CE12 | CZ1 | CE21 | HE23 | 63.1° | 60.1° |
| CE12 | CZ1 | CE21 | HE22 | 176.6° | 179.9° |
| CE12 | CZ1 | HZ2 | HZ3 | 120.0° | 120.0° |
| HE12 | CE12 | CZ1 | CE21 | 175.5° | 180.0° |
| HE12 | CE12 | CZ1 | HZ2 | 55.5° | 60.1° |
| HE12 | CE12 | CZ1 | HZ3 | 64.5° | 59.9° |
| HE13 | CE12 | CZ1 | CE21 | 64.4° | 60.0° |
| HE13 | CE12 | CZ1 | HZ2 | 175.6° | 180.0° |
| HE13 | CE12 | CZ1 | HZ3 | 55.6° | 60.0° |
| CZ1 | CE21 | HE23 | HE22 | 119.7° | 120.0° |
| CE21 | CZ1 | HZ2 | HZ3 | 120.0° | 120.0° |
| HE23 | CE21 | CZ1 | HZ2 | 177.0° | 180.0° |
| HE23 | CE21 | CZ1 | HZ3 | 57.0° | 60.0° |
| HE22 | CE21 | CZ1 | HZ2 | 56.6° | 60.0° |
| HE22 | CE21 | CZ1 | HZ3 | 63.4° | 60.0° |
| OH | CH | CM | HH | 118.9° | 119.9° |
| OH | CH | CM | CA21 | 79.1° | 68.0° |
| OH | CH | CM | HM1 | 40.9° | 52.0° |
| OH | CH | CM | HM2 | 162.1° | 172.0° |
| CM | CH | OH | HO | 71.5° | 60.0° |
| CH | CM | CA21 | HM1 | 120.0° | 120.0° |
| CH | CM | CA21 | HM2 | 118.8° | 120.0° |
| CH | CM | HM1 | HM2 | 118.9° | 120.0° |
| CH | CM | CA21 | CB21 | 117.5° | 65.7° |
| CH | CM | CA21 | C6 | 123.2° | 174.3° |
| CH | CM | CA21 | HA21 | 3.4° | 54.3° |
| HH | CH | OH | HO | 48.6° | 180.0° |
| HH | CH | CM | CA21 | 39.8° | 51.9° |
| HH | CH | CM | HM1 | 159.8° | 172.0° |
| HH | CH | CM | HM2 | 79.0° | 68.1° |
| CA21 | CM | HM1 | HM2 | 118.9° | 120.0° |
| CM | CA21 | CB21 | C6 | 120.1° | 120.0° |
| CM | CA21 | CB21 | HA21 | 120.1° | 120.0° |
| CM | CA21 | C6 | HA21 | 120.1° | 120.0° |
| CM | CA21 | CB21 | CG21 | 83.5° | 53.0° |
| CM | CA21 | CB21 | HB23 | 156.5° | 173.0° |
| CM | CA21 | CB21 | HB24 | 36.8° | 67.0° |
| CM | CA21 | C6 | O4 | 20.8° | 0.4° |
| CM | CA21 | C6 | N3 | 161.7° | 179.6° |
| HM1 | CM | CA21 | CB21 | 2.5° | 54.3° |
| HM1 | CM | CA21 | C6 | 116.7° | 65.7° |
| HM1 | CM | CA21 | HA21 | 123.4° | 174.3° |
| HM2 | CM | CA21 | CB21 | 123.6° | 174.2° |
| HM2 | CM | CA21 | C6 | 4.4° | 54.2° |
| HM2 | CM | CA21 | HA21 | 115.5° | 65.8° |
| CB21 | CA21 | C6 | HA21 | 120.9° | 120.0° |
| CA21 | CB21 | CG21 | HB23 | 120.0° | 120.0° |
| CA21 | CB21 | CG21 | HB24 | 120.3° | 119.9° |
| CA21 | CB21 | HB23 | HB24 | 120.3° | 119.9° |
| CA21 | CB21 | CG21 | CD3 | 176.2° | 67.9° |
| CA21 | CB21 | CG21 | CD4 | 63.0° | 172.1° |
| CA21 | CB21 | CG21 | HG2 | 56.5° | 52.0° |
| CB21 | CA21 | C6 | O4 | 98.3° | 119.6° |
| CB21 | CA21 | C6 | N3 | 79.2° | 60.4° |
| C6 | CA21 | CB21 | CG21 | 36.5° | 67.1° |
| C6 | CA21 | CB21 | HB23 | 83.5° | 53.0° |
| C6 | CA21 | CB21 | HB24 | 156.8° | 172.9° |
| CA21 | C6 | O4 | N3 | 177.3° | 180.0° |
| CA21 | C6 | N3 | CA3 | 173.9° | 173.9° |
| CA21 | C6 | N3 | H3 | 6.2° | 6.0° |
| HA21 | CA21 | CB21 | CG21 | 156.4° | 173.0° |
| HA21 | CA21 | CB21 | HB23 | 36.4° | 67.0° |
| HA21 | CA21 | CB21 | HB24 | 83.3° | 53.0° |
| HA21 | CA21 | C6 | O4 | 140.8° | 120.4° |
| HA21 | CA21 | C6 | N3 | 41.7° | 59.6° |
| CG21 | CB21 | HB23 | HB24 | 120.3° | 120.0° |
| CB21 | CG21 | CD3 | CD4 | 121.5° | 120.0° |
| CB21 | CG21 | CD3 | HG2 | 119.0° | 120.0° |
| CB21 | CG21 | CD4 | HG2 | 118.9° | 120.0° |
| CB21 | CG21 | CD3 | HD31 | 154.0° | 46.3° |
| CB21 | CG21 | CD3 | HD32 | 86.0° | 166.3° |
| CB21 | CG21 | CD3 | HD33 | 34.0° | 73.6° |
| CB21 | CG21 | CD4 | HD41 | 64.0° | 60.0° |
| CB21 | CG21 | CD4 | HD42 | 56.0° | 180.0° |
| CB21 | CG21 | CD4 | HD43 | 176.0° | 60.0° |
| HB23 | CB21 | CG21 | CD3 | 56.2° | 52.1° |
| HB23 | CB21 | CG21 | CD4 | 177.0° | 67.9° |
| HB23 | CB21 | CG21 | HG2 | 63.5° | 172.0° |
| HB24 | CB21 | CG21 | CD3 | 63.5° | 172.1° |
| HB24 | CB21 | CG21 | CD4 | 57.3° | 52.1° |
| HB24 | CB21 | CG21 | HG2 | 176.8° | 67.9° |
| CD3 | CG21 | CD4 | HG2 | 119.7° | 120.0° |
| CG21 | CD3 | HD31 | HD32 | 120.0° | 120.0° |
| CG21 | CD3 | HD31 | HD33 | 120.0° | 119.9° |
| CG21 | CD3 | HD32 | HD33 | 120.0° | 120.0° |
| CD3 | CG21 | CD4 | HD41 | 57.4° | 179.9° |
| CD3 | CG21 | CD4 | HD42 | 177.3° | 60.0° |
| CD3 | CG21 | CD4 | HD43 | 62.6° | 60.0° |
| CD4 | CG21 | CD3 | HD31 | 32.5° | 73.7° |
| CD4 | CG21 | CD3 | HD32 | 152.5° | 46.3° |
| CD4 | CG21 | CD3 | HD33 | 87.5° | 166.4° |
| CG21 | CD4 | HD41 | HD42 | 120.0° | 120.0° |
| CG21 | CD4 | HD41 | HD43 | 120.0° | 120.0° |
| CG21 | CD4 | HD42 | HD43 | 120.0° | 120.0° |
| HG2 | CG21 | CD3 | HD31 | 87.0° | 166.3° |
| HG2 | CG21 | CD3 | HD32 | 33.0° | 73.7° |
| HG2 | CG21 | CD3 | HD33 | 153.0° | 46.4° |
| HG2 | CG21 | CD4 | HD41 | 177.1° | 60.0° |
| HG2 | CG21 | CD4 | HD42 | 62.9° | 60.0° |
| HG2 | CG21 | CD4 | HD43 | 57.1° | 180.0° |
| HD31 | CD3 | HD32 | HD33 | 120.0° | 120.0° |
| HD41 | CD4 | HD42 | HD43 | 120.0° | 120.0° |
| O4 | C6 | N3 | CA3 | 8.7° | 6.1° |
| O4 | C6 | N3 | H3 | 171.3° | 174.0° |
| CA3 | N3 | H3 | C6 | 180.0° | 179.9° |
| N3 | CA3 | C7 | CB3 | 123.4° | 120.0° |
| N3 | CA3 | C7 | HA3 | 117.4° | 119.9° |
| N3 | CA3 | CB3 | HA3 | 117.6° | 120.0° |
| N3 | CA3 | C7 | O5 | 79.8° | 0.0° |
| N3 | CA3 | CB3 | CG3 | 152.4° | 65.0° |
| N3 | CA3 | CB3 | HB25 | 32.4° | 55.0° |
| N3 | CA3 | CB3 | HB33 | 88.9° | 175.0° |
| N3 | CA3 | C7 | N4 | 4.2° | 180.0° |
| H3 | N3 | CA3 | C7 | 110.4° | 25.1° |
| H3 | N3 | CA3 | CB3 | 13.2° | 94.9° |
| H3 | N3 | CA3 | HA3 | 132.4° | 145.0° |
| C7 | CA3 | CB3 | HA3 | 117.4° | 120.0° |
| CA3 | C7 | O5 | N4 | 71.8° | 180.0° |
| C7 | CA3 | CB3 | CG3 | 82.6° | 175.0° |
| C7 | CA3 | CB3 | HB25 | 157.4° | 65.0° |
| C7 | CA3 | CB3 | HB33 | 36.1° | 55.0° |
| CA3 | C7 | N4 | CA4 | 90.0° | 180.0° |
| CA3 | C7 | N4 | H4 | 90.0° | 0.0° |
| C7 | CA3 | N3 | C6 | 69.6° | 155.0° |
| CB3 | CA3 | C7 | O5 | 43.7° | 120.0° |
| CA3 | CB3 | CG3 | HB25 | 120.0° | 120.0° |
| CA3 | CB3 | CG3 | HB33 | 118.7° | 120.0° |
| CA3 | CB3 | HB25 | HB33 | 118.7° | 120.0° |
| CA3 | CB3 | CG3 | CD | 112.1° | 180.0° |
| CA3 | CB3 | CG3 | HG21 | 7.9° | 60.0° |
| CA3 | CB3 | CG3 | HG3 | 128.9° | 60.0° |
| CB3 | CA3 | N3 | C6 | 166.8° | 85.0° |
| CB3 | CA3 | C7 | N4 | 119.2° | 60.0° |
| HA3 | CA3 | C7 | O5 | 162.8° | 120.0° |
| HA3 | CA3 | CB3 | CG3 | 34.8° | 55.0° |
| HA3 | CA3 | CB3 | HB25 | 85.2° | 175.0° |
| HA3 | CA3 | CB3 | HB33 | 153.5° | 65.0° |
| HA3 | CA3 | N3 | C6 | 47.6° | 35.1° |
| HA3 | CA3 | C7 | N4 | 121.7° | 60.0° |
| O5 | C7 | N4 | CA4 | 90.0° | 0.0° |
| O5 | C7 | N4 | H4 | 90.0° | 180.0° |
| CG3 | CB3 | HB25 | HB33 | 118.7° | 120.0° |
| CB3 | CG3 | CD | HG21 | 120.0° | 120.0° |
| CB3 | CG3 | CD | HG3 | 119.0° | 120.0° |
| CB3 | CG3 | HG21 | HG3 | 119.1° | 120.0° |
| CB3 | CG3 | CD | CE | 177.9° | 180.0° |
| CB3 | CG3 | CD | HD24 | 62.1° | 60.0° |
| CB3 | CG3 | CD | HD3 | 59.5° | 60.0° |
| HB25 | CB3 | CG3 | CD | 127.9° | 60.0° |
| HB25 | CB3 | CG3 | HG21 | 112.1° | 180.0° |
| HB25 | CB3 | CG3 | HG3 | 8.8° | 60.0° |
| HB33 | CB3 | CG3 | CD | 6.5° | 60.0° |
| HB33 | CB3 | CG3 | HG21 | 126.5° | 60.0° |
| HB33 | CB3 | CG3 | HG3 | 112.5° | 180.0° |
| CD | CG3 | HG21 | HG3 | 119.1° | 120.0° |
| CG3 | CD | CE | HD24 | 120.0° | 120.0° |
| CG3 | CD | CE | HD3 | 118.5° | 120.0° |
| CG3 | CD | HD24 | HD3 | 118.6° | 120.0° |
| CG3 | CD | CE | NZ | 120.0° | 180.0° |
| CG3 | CD | CE | HE24 | 120.0° | 60.0° |
| CG3 | CD | CE | HE3 | 1.4° | 60.0° |
| HG21 | CG3 | CD | CE | 57.9° | 60.0° |
| HG21 | CG3 | CD | HD24 | 177.9° | 180.0° |
| HG21 | CG3 | CD | HD3 | 60.5° | 60.0° |
| HG3 | CG3 | CD | CE | 63.0° | 60.0° |
| HG3 | CG3 | CD | HD24 | 57.0° | 60.0° |
| HG3 | CG3 | CD | HD3 | 178.5° | 180.0° |
| CE | CD | HD24 | HD3 | 118.5° | 120.0° |
| CD | CE | NZ | HE24 | 120.0° | 120.0° |
| CD | CE | NZ | HE3 | 118.6° | 120.0° |
| CD | CE | HE24 | HE3 | 118.7° | 120.0° |
| CD | CE | NZ | HZ1 | 171.4° | 59.9° |
| CD | CE | NZ | HZ21 | 68.6° | 180.0° |
| CD | CE | NZ | HZ31 | 51.4° | 60.0° |
| HD24 | CD | CE | NZ | 0.0° | 60.0° |
| HD24 | CD | CE | HE24 | 120.0° | 180.0° |
| HD24 | CD | CE | HE3 | 118.6° | 60.0° |
| HD3 | CD | CE | NZ | 121.5° | 60.0° |
| HD3 | CD | CE | HE24 | 1.5° | 59.9° |
| HD3 | CD | CE | HE3 | 119.9° | 180.0° |
| NZ | CE | HE24 | HE3 | 118.6° | 119.9° |
| CE | NZ | HZ1 | HZ21 | 120.0° | 120.1° |
| CE | NZ | HZ1 | HZ31 | 120.0° | 119.9° |
| CE | NZ | HZ21 | HZ31 | 120.0° | 120.0° |
| HE24 | CE | NZ | HZ1 | 51.4° | 60.1° |
| HE24 | CE | NZ | HZ21 | 171.5° | 60.0° |
| HE24 | CE | NZ | HZ31 | 68.6° | 180.0° |
| HE3 | CE | NZ | HZ1 | 70.0° | 179.9° |
| HE3 | CE | NZ | HZ21 | 50.0° | 59.9° |
| HE3 | CE | NZ | HZ31 | 170.0° | 60.0° |
| HZ1 | NZ | HZ21 | HZ31 | 120.0° | 120.0° |
| CA4 | N4 | H4 | C7 | 90.0° | 180.0° |
| N4 | CA4 | C8 | CB4 | 90.0° | 119.9° |
| N4 | CA4 | C8 | HA4 | 90.0° | 120.1° |
| N4 | CA4 | CB4 | HA4 | 90.0° | 120.0° |
| N4 | CA4 | C8 | O6 | 90.0° | 0.0° |
| N4 | CA4 | C8 | OXT | 90.0° | 180.0° |
| N4 | CA4 | CB4 | CG4 | 90.0° | 65.0° |
| N4 | CA4 | CB4 | HB26 | 90.0° | 175.0° |
| N4 | CA4 | CB4 | HB34 | 90.0° | 55.0° |
| H4 | N4 | CA4 | C8 | 90.0° | 95.0° |
| H4 | N4 | CA4 | CB4 | 90.0° | 25.0° |
| H4 | N4 | CA4 | HA4 | 90.0° | 145.0° |
| C8 | CA4 | CB4 | HA4 | 90.0° | 120.0° |
| CA4 | C8 | O6 | OXT | 90.0° | 180.0° |
| C8 | CA4 | CB4 | CG4 | 90.0° | 175.0° |
| C8 | CA4 | CB4 | HB26 | 90.0° | 55.0° |
| C8 | CA4 | CB4 | HB34 | 90.0° | 65.0° |
| CA4 | C8 | OXT | HXT | 90.0° | 180.0° |
| C8 | CA4 | N4 | C7 | 90.0° | 85.1° |
| CB4 | CA4 | C8 | O6 | 90.0° | 120.0° |
| CB4 | CA4 | C8 | OXT | 90.0° | 60.0° |
| CA4 | CB4 | CG4 | HB26 | 90.0° | 120.0° |
| CA4 | CB4 | CG4 | HB34 | 90.0° | 120.0° |
| CA4 | CB4 | HB26 | HB34 | 90.0° | 120.0° |
| CA4 | CB4 | CG4 | CD12 | 90.0° | 90.0° |
| CA4 | CB4 | CG4 | CD23 | 90.0° | 90.3° |
| CB4 | CA4 | N4 | C7 | 90.0° | 155.0° |
| HA4 | CA4 | C8 | O6 | 90.0° | 120.0° |
| HA4 | CA4 | C8 | OXT | 90.0° | 60.0° |
| HA4 | CA4 | CB4 | CG4 | 90.0° | 55.0° |
| HA4 | CA4 | CB4 | HB26 | 90.0° | 65.0° |
| HA4 | CA4 | CB4 | HB34 | 90.0° | 175.0° |
| HA4 | CA4 | N4 | C7 | 90.0° | 35.0° |
| O6 | C8 | OXT | HXT | 90.0° | 0.0° |
| CG4 | CB4 | HB26 | HB34 | 90.0° | 120.0° |
| CB4 | CG4 | CD12 | CD23 | 90.0° | 179.7° |
| CB4 | CG4 | CD12 | CE13 | 90.0° | 180.0° |
| CB4 | CG4 | CD12 | HD14 | 90.0° | 0.0° |
| CB4 | CG4 | CD23 | CE22 | 90.0° | 180.0° |
| CB4 | CG4 | CD23 | HD25 | 90.0° | 0.0° |
| HB26 | CB4 | CG4 | CD12 | 90.0° | 30.0° |
| HB26 | CB4 | CG4 | CD23 | 90.0° | 149.8° |
| HB34 | CB4 | CG4 | CD12 | 90.0° | 150.0° |
| HB34 | CB4 | CG4 | CD23 | 90.0° | 29.7° |
| CG4 | CD12 | CE13 | HD14 | 90.0° | 180.0° |
| CD12 | CG4 | CD23 | CE22 | 90.0° | 0.3° |
| CD12 | CG4 | CD23 | HD25 | 90.0° | 179.7° |
| CG4 | CD12 | CE13 | CZ2 | 90.0° | 0.1° |
| CG4 | CD12 | CE13 | HE14 | 90.0° | 180.0° |
| CD23 | CG4 | CD12 | CE13 | 90.0° | 0.3° |
| CD23 | CG4 | CD12 | HD14 | 90.0° | 179.7° |
| CG4 | CD23 | CE22 | HD25 | 90.0° | 180.0° |
| CG4 | CD23 | CE22 | CZ2 | 90.0° | 0.0° |
| CG4 | CD23 | CE22 | HE25 | 90.0° | 180.0° |
| CD12 | CE13 | CZ2 | HE14 | 90.0° | 179.9° |
| CD12 | CE13 | CZ2 | CE22 | 90.0° | 0.2° |
| CD12 | CE13 | CZ2 | HZ4 | 90.0° | 180.0° |
| HD14 | CD12 | CE13 | CZ2 | 90.0° | 180.0° |
| HD14 | CD12 | CE13 | HE14 | 90.0° | 0.0° |
| CD23 | CE22 | CZ2 | CE13 | 90.0° | 0.2° |
| CD23 | CE22 | CZ2 | HE25 | 90.0° | 180.0° |
| CD23 | CE22 | CZ2 | HZ4 | 90.0° | 180.0° |
| HD25 | CD23 | CE22 | CZ2 | 90.0° | 180.0° |
| HD25 | CD23 | CE22 | HE25 | 90.0° | 0.0° |
| CE13 | CZ2 | CE22 | HZ4 | 90.0° | 179.8° |
| CE13 | CZ2 | CE22 | HE25 | 90.0° | 179.8° |
| HE14 | CE13 | CZ2 | CE22 | 90.0° | 179.8° |
| HE14 | CE13 | CZ2 | HZ4 | 90.0° | 0.1° |
| HE25 | CE22 | CZ2 | HZ4 | 90.0° | 0.0° |
