PRD_000383
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C | doub | 1.21Å | 1.21Å | |
C | O2 | sing | 1.35Å | 1.37Å | |
O2 | CT | sing | 1.45Å | 1.51Å | |
CT | C1 | sing | 1.53Å | 1.52Å | |
CT | C2 | sing | 1.53Å | 1.55Å | |
CT | C3 | sing | 1.53Å | 1.54Å | |
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 | 1.53Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C4 | CM | sing | 1.53Å | 1.53Å | |
C4 | HC1 | sing | 1.09Å | 1.10Å | |
C4 | HC2 | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.51Å | 1.50Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CG | CD1 | doub | 1.38Å | 1.40Å | 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 | 1.39Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CZ | HZ | sing | 1.08Å | 1.08Å | |
CM | HM1 | sing | 1.09Å | 1.10Å | |
CM | HM2 | sing | 1.09Å | 1.10Å | |
N1 | CA1 | sing | 1.47Å | 1.47Å | |
N1 | H1 | sing | 1.01Å | 1.00Å | |
CA1 | C5 | sing | 1.51Å | 1.54Å | |
CA1 | CB1 | sing | 1.53Å | 1.53Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
C5 | O | doub | 1.21Å | 1.23Å | |
CB1 | CG1 | sing | 1.51Å | 1.50Å | |
CB1 | HB21 | sing | 1.09Å | 1.10Å | |
CB1 | HB3 | sing | 1.09Å | 1.10Å | |
CG1 | CD11 | doub | 1.38Å | 1.39Å | Aromatic |
CG1 | CD21 | sing | 1.38Å | 1.39Å | Aromatic |
CD11 | CE11 | sing | 1.38Å | 1.39Å | Aromatic |
CD11 | HD11 | sing | 1.08Å | 1.08Å | |
CD21 | CE21 | doub | 1.38Å | 1.39Å | Aromatic |
CD21 | HD21 | sing | 1.08Å | 1.08Å | |
CE11 | CZ1 | doub | 1.38Å | 1.39Å | Aromatic |
CE11 | HE11 | sing | 1.08Å | 1.08Å | |
CE21 | CZ1 | sing | 1.38Å | 1.39Å | Aromatic |
CE21 | HE21 | sing | 1.08Å | 1.08Å | |
CZ1 | HZ1 | sing | 1.08Å | 1.08Å | |
N2 | CA2 | sing | 1.46Å | 1.46Å | |
N2 | H2 | sing | 0.97Å | 1.00Å | |
CA2 | C6 | sing | 1.51Å | 1.53Å | |
CA2 | CB2 | sing | 1.53Å | 1.53Å | |
CA2 | HA2 | sing | 1.09Å | 1.10Å | |
C6 | O3 | doub | 1.21Å | 1.23Å | |
CB2 | CG2 | sing | 1.53Å | 1.53Å | |
CB2 | HB22 | sing | 1.09Å | 1.10Å | |
CB2 | HB31 | sing | 1.09Å | 1.10Å | |
CG2 | CD | sing | 1.51Å | 1.53Å | |
CG2 | HG2 | sing | 1.09Å | 1.10Å | |
CG2 | HG3 | sing | 1.09Å | 1.10Å | |
CD | OE1 | doub | 1.21Å | 1.25Å | |
CD | OE2 | sing | 1.34Å | 1.25Å | |
OE2 | HE22 | sing | 0.97Å | 0.95Å | |
N3 | CA3 | sing | 1.47Å | 1.46Å | |
N3 | H3 | sing | 0.97Å | 1.00Å | |
CA3 | C7 | sing | 1.51Å | 1.53Å | |
CA3 | CB3 | sing | 1.53Å | 1.54Å | |
CA3 | HA3 | sing | 1.09Å | 1.10Å | |
C7 | O4 | doub | 1.21Å | 1.23Å | |
CB3 | CG3 | sing | 1.51Å | 1.51Å | |
CB3 | HB23 | sing | 1.09Å | 1.10Å | |
CB3 | HB32 | sing | 1.09Å | 1.10Å | |
CG3 | CD12 | doub | 1.38Å | 1.39Å | Aromatic |
CG3 | CD22 | sing | 1.38Å | 1.39Å | Aromatic |
CD12 | CE12 | sing | 1.38Å | 1.40Å | Aromatic |
CD12 | HD12 | sing | 1.08Å | 1.08Å | |
CD22 | CE22 | doub | 1.38Å | 1.40Å | Aromatic |
CD22 | HD22 | sing | 1.08Å | 1.08Å | |
CE12 | CZ2 | doub | 1.38Å | 1.39Å | Aromatic |
CE12 | HE12 | sing | 1.08Å | 1.08Å | |
CE22 | CZ2 | sing | 1.38Å | 1.38Å | Aromatic |
CE22 | HE23 | sing | 1.08Å | 1.08Å | |
CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
N4 | HN1 | sing | 0.97Å | 1.00Å | |
N4 | HN2 | sing | 0.97Å | 1.00Å | |
C | N | sing | 1.35Å | 1.36Å | |
CM | N1 | sing | 1.47Å | 1.46Å | |
C5 | N2 | sing | 1.35Å | 1.33Å | |
C6 | N3 | sing | 1.35Å | 1.33Å | |
C7 | N4 | sing | 1.35Å | 1.33Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C | O2 | 126.5° | 120.0° |
O1 | C | N | 124.9° | 120.0° |
C | O2 | CT | 124.2° | 117.0° |
O2 | C | N | 108.5° | 120.0° |
O2 | CT | C1 | 105.7° | 109.5° |
O2 | CT | C2 | 109.9° | 109.5° |
O2 | CT | C3 | 109.0° | 109.5° |
C1 | CT | C2 | 110.4° | 109.4° |
C1 | CT | C3 | 110.4° | 109.4° |
CT | C1 | H11 | 109.5° | 109.5° |
CT | C1 | H12 | 109.5° | 109.5° |
CT | C1 | H13 | 109.4° | 109.5° |
C2 | CT | C3 | 111.3° | 109.5° |
CT | C2 | H21 | 109.5° | 109.5° |
CT | C2 | H22 | 109.5° | 109.5° |
CT | C2 | H23 | 109.5° | 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° | 109.4° |
H21 | C2 | H22 | 109.4° | 109.4° |
H21 | C2 | H23 | 109.5° | 109.4° |
H22 | C2 | H23 | 109.5° | 109.5° |
H31 | C3 | H32 | 109.5° | 109.5° |
H31 | C3 | H33 | 109.5° | 109.5° |
H32 | C3 | H33 | 109.5° | 109.5° |
CA | N | H | 119.6° | 120.0° |
N | CA | C4 | 110.9° | 109.5° |
N | CA | CB | 109.9° | 109.4° |
N | CA | HA | 109.0° | 109.5° |
CA | N | C | 120.8° | 120.0° |
H | N | C | 119.6° | 120.0° |
C4 | CA | CB | 111.7° | 109.5° |
C4 | CA | HA | 107.1° | 109.5° |
CA | C4 | CM | 113.6° | 109.5° |
CA | C4 | HC1 | 108.1° | 109.5° |
CA | C4 | HC2 | 108.1° | 109.5° |
CB | CA | HA | 108.1° | 109.4° |
CA | CB | CG | 113.3° | 109.5° |
CA | CB | HB1 | 108.2° | 109.5° |
CA | CB | HB2 | 108.2° | 109.5° |
CM | C4 | HC1 | 108.1° | 109.4° |
CM | C4 | HC2 | 108.1° | 109.4° |
C4 | CM | HM1 | 108.6° | 109.5° |
C4 | CM | HM2 | 108.6° | 109.5° |
C4 | CM | N1 | 112.1° | 109.5° |
HC1 | C4 | HC2 | 110.8° | 109.5° |
CG | CB | HB1 | 108.2° | 109.5° |
CG | CB | HB2 | 108.2° | 109.5° |
CB | CG | CD1 | 120.6° | 120.0° |
CB | CG | CD2 | 120.5° | 120.0° |
HB1 | CB | HB2 | 110.7° | 109.4° |
CD1 | CG | CD2 | 118.8° | 120.0° |
CG | CD1 | CE1 | 120.9° | 120.0° |
CG | CD1 | HD1 | 119.5° | 120.0° |
CG | CD2 | CE2 | 120.7° | 120.0° |
CG | CD2 | HD2 | 119.6° | 120.0° |
CE1 | CD1 | HD1 | 119.6° | 120.0° |
CD1 | CE1 | CZ | 119.7° | 120.0° |
CD1 | CE1 | HE1 | 120.1° | 120.0° |
CE2 | CD2 | HD2 | 119.7° | 120.0° |
CD2 | CE2 | CZ | 119.9° | 120.0° |
CD2 | CE2 | HE2 | 120.1° | 120.0° |
CZ | CE1 | HE1 | 120.2° | 120.1° |
CE1 | CZ | CE2 | 120.0° | 120.0° |
CE1 | CZ | HZ | 120.0° | 120.0° |
CZ | CE2 | HE2 | 120.1° | 120.0° |
CE2 | CZ | HZ | 120.0° | 120.0° |
HM1 | CM | HM2 | 110.3° | 109.4° |
HM1 | CM | N1 | 108.6° | 109.5° |
HM2 | CM | N1 | 108.6° | 109.5° |
CA1 | N1 | H1 | 107.5° | 111.0° |
N1 | CA1 | C5 | 117.6° | 109.5° |
N1 | CA1 | CB1 | 109.7° | 109.4° |
N1 | CA1 | HA1 | 103.0° | 109.5° |
CA1 | N1 | CM | 115.5° | 111.0° |
H1 | N1 | CM | 107.5° | 110.9° |
C5 | CA1 | CB1 | 107.9° | 109.5° |
C5 | CA1 | HA1 | 105.0° | 109.5° |
CA1 | C5 | O | 120.8° | 120.0° |
CA1 | C5 | N2 | 116.2° | 120.0° |
CB1 | CA1 | HA1 | 113.6° | 109.5° |
CA1 | CB1 | CG1 | 113.6° | 109.5° |
CA1 | CB1 | HB21 | 108.1° | 109.4° |
CA1 | CB1 | HB3 | 108.1° | 109.4° |
O | C5 | N2 | 123.0° | 120.0° |
CG1 | CB1 | HB21 | 108.1° | 109.5° |
CG1 | CB1 | HB3 | 108.1° | 109.5° |
CB1 | CG1 | CD11 | 120.5° | 120.0° |
CB1 | CG1 | CD21 | 120.6° | 120.0° |
HB21 | CB1 | HB3 | 110.7° | 109.5° |
CD11 | CG1 | CD21 | 118.9° | 120.0° |
CG1 | CD11 | CE11 | 121.0° | 120.0° |
CG1 | CD11 | HD11 | 119.5° | 120.0° |
CG1 | CD21 | CE21 | 120.6° | 120.0° |
CG1 | CD21 | HD21 | 119.7° | 120.0° |
CE11 | CD11 | HD11 | 119.5° | 120.1° |
CD11 | CE11 | CZ1 | 119.8° | 120.0° |
CD11 | CE11 | HE11 | 120.1° | 120.0° |
CE21 | CD21 | HD21 | 119.7° | 120.0° |
CD21 | CE21 | CZ1 | 119.8° | 120.0° |
CD21 | CE21 | HE21 | 120.1° | 120.1° |
CZ1 | CE11 | HE11 | 120.1° | 120.0° |
CE11 | CZ1 | CE21 | 119.8° | 120.0° |
CE11 | CZ1 | HZ1 | 120.1° | 120.0° |
CZ1 | CE21 | HE21 | 120.1° | 120.0° |
CE21 | CZ1 | HZ1 | 120.1° | 120.0° |
CA2 | N2 | H2 | 118.3° | 120.0° |
N2 | CA2 | C6 | 107.1° | 109.5° |
N2 | CA2 | CB2 | 110.7° | 109.4° |
N2 | CA2 | HA2 | 110.3° | 109.5° |
CA2 | N2 | C5 | 123.4° | 120.0° |
H2 | N2 | C5 | 118.3° | 120.0° |
C6 | CA2 | CB2 | 109.9° | 109.4° |
C6 | CA2 | HA2 | 111.2° | 109.5° |
CA2 | C6 | O3 | 120.1° | 120.0° |
CA2 | C6 | N3 | 117.5° | 120.0° |
CB2 | CA2 | HA2 | 107.6° | 109.5° |
CA2 | CB2 | CG2 | 114.5° | 109.5° |
CA2 | CB2 | HB22 | 107.8° | 109.5° |
CA2 | CB2 | HB31 | 107.8° | 109.5° |
O3 | C6 | N3 | 122.5° | 120.0° |
CG2 | CB2 | HB22 | 107.9° | 109.5° |
CG2 | CB2 | HB31 | 107.8° | 109.5° |
CB2 | CG2 | CD | 113.1° | 109.5° |
CB2 | CG2 | HG2 | 108.3° | 109.5° |
CB2 | CG2 | HG3 | 108.3° | 109.5° |
HB22 | CB2 | HB31 | 111.0° | 109.5° |
CD | CG2 | HG2 | 108.3° | 109.5° |
CD | CG2 | HG3 | 108.3° | 109.5° |
CG2 | CD | OE1 | 119.2° | 120.0° |
CG2 | CD | OE2 | 118.4° | 120.0° |
HG2 | CG2 | HG3 | 110.6° | 109.4° |
OE1 | CD | OE2 | 122.3° | 120.0° |
CD | OE2 | HE22 | 109.5° | 117.0° |
CA3 | N3 | H3 | 119.5° | 120.0° |
N3 | CA3 | C7 | 114.1° | 109.5° |
N3 | CA3 | CB3 | 109.9° | 109.5° |
N3 | CA3 | HA3 | 106.2° | 109.5° |
CA3 | N3 | C6 | 121.0° | 120.0° |
H3 | N3 | C6 | 119.5° | 120.0° |
C7 | CA3 | CB3 | 110.3° | 109.5° |
C7 | CA3 | HA3 | 105.8° | 109.4° |
CA3 | C7 | O4 | 121.3° | 120.0° |
CA3 | C7 | N4 | 116.2° | 120.0° |
CB3 | CA3 | HA3 | 110.3° | 109.4° |
CA3 | CB3 | CG3 | 114.1° | 109.5° |
CA3 | CB3 | HB23 | 107.9° | 109.4° |
CA3 | CB3 | HB32 | 107.9° | 109.5° |
O4 | C7 | N4 | 122.5° | 120.0° |
CG3 | CB3 | HB23 | 108.0° | 109.4° |
CG3 | CB3 | HB32 | 107.9° | 109.5° |
CB3 | CG3 | CD12 | 120.7° | 120.0° |
CB3 | CG3 | CD22 | 120.7° | 120.0° |
HB23 | CB3 | HB32 | 110.9° | 109.5° |
CD12 | CG3 | CD22 | 118.6° | 120.0° |
CG3 | CD12 | CE12 | 120.7° | 120.0° |
CG3 | CD12 | HD12 | 119.7° | 120.0° |
CG3 | CD22 | CE22 | 121.1° | 120.0° |
CG3 | CD22 | HD22 | 119.4° | 120.0° |
CE12 | CD12 | HD12 | 119.7° | 120.0° |
CD12 | CE12 | CZ2 | 120.2° | 120.0° |
CD12 | CE12 | HE12 | 119.9° | 120.0° |
CE22 | CD22 | HD22 | 119.5° | 120.0° |
CD22 | CE22 | CZ2 | 119.7° | 120.0° |
CD22 | CE22 | HE23 | 120.2° | 120.0° |
CZ2 | CE12 | HE12 | 119.9° | 119.9° |
CE12 | CZ2 | CE22 | 119.7° | 120.0° |
CE12 | CZ2 | HZ2 | 120.2° | 120.0° |
CZ2 | CE22 | HE23 | 120.1° | 120.0° |
CE22 | CZ2 | HZ2 | 120.1° | 120.0° |
HN1 | N4 | HN2 | 120.0° | 120.0° |
HN1 | N4 | C7 | 120.0° | 120.0° |
HN2 | N4 | C7 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C | O2 | N | 179.9° | 179.8° |
O1 | C | O2 | CT | 13.1° | 0.0° |
O1 | C | N | CA | 2.7° | 0.1° |
O1 | C | N | H | 177.3° | 180.0° |
C | O2 | CT | C1 | 179.4° | 60.0° |
C | O2 | CT | C2 | 61.5° | 180.0° |
C | O2 | CT | C3 | 60.7° | 60.0° |
O2 | C | N | CA | 177.3° | 179.7° |
O2 | C | N | H | 2.7° | 0.3° |
O2 | CT | C1 | C2 | 118.8° | 120.0° |
O2 | CT | C1 | C3 | 117.7° | 120.1° |
O2 | CT | C2 | C3 | 120.9° | 120.1° |
O2 | CT | C1 | H11 | 180.0° | 60.0° |
O2 | CT | C1 | H12 | 60.0° | 180.0° |
O2 | CT | C1 | H13 | 60.0° | 60.0° |
O2 | CT | C2 | H21 | 180.0° | 60.0° |
O2 | CT | C2 | H22 | 60.0° | 180.0° |
O2 | CT | C2 | H23 | 60.0° | 60.0° |
O2 | CT | C3 | H31 | 180.0° | 60.0° |
O2 | CT | C3 | H32 | 60.0° | 180.0° |
O2 | CT | C3 | H33 | 60.0° | 60.0° |
CT | O2 | C | N | 166.9° | 179.8° |
C1 | CT | C2 | C3 | 123.0° | 119.9° |
CT | C1 | H11 | H12 | 120.0° | 120.1° |
CT | C1 | H11 | H13 | 120.0° | 120.0° |
CT | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | CT | C2 | H21 | 63.8° | 180.0° |
C1 | CT | C2 | H22 | 176.2° | 60.0° |
C1 | CT | C2 | H23 | 56.2° | 60.0° |
C1 | CT | C3 | H31 | 64.3° | 60.1° |
C1 | CT | C3 | H32 | 55.7° | 60.0° |
C1 | CT | C3 | H33 | 175.7° | 180.0° |
C2 | CT | C1 | H11 | 61.3° | 60.0° |
C2 | CT | C1 | H12 | 58.8° | 60.0° |
C2 | CT | C1 | H13 | 178.8° | 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 | 58.6° | 180.0° |
C2 | CT | C3 | H32 | 178.6° | 59.9° |
C2 | CT | C3 | H33 | 61.4° | 60.1° |
C3 | CT | C1 | H11 | 62.3° | 180.0° |
C3 | CT | C1 | H12 | 177.7° | 59.9° |
C3 | CT | C1 | H13 | 57.7° | 60.0° |
C3 | CT | C2 | H21 | 59.1° | 60.0° |
C3 | CT | C2 | H22 | 60.8° | 59.9° |
C3 | CT | C2 | H23 | 179.2° | 180.0° |
CT | C3 | H31 | H32 | 120.0° | 120.0° |
CT | C3 | H31 | H33 | 120.0° | 119.9° |
CT | C3 | H32 | H33 | 120.0° | 119.9° |
H11 | C1 | H12 | H13 | 120.0° | 119.9° |
H21 | C2 | H22 | H23 | 120.0° | 119.9° |
H31 | C3 | H32 | H33 | 120.0° | 120.0° |
CA | N | H | C | 180.0° | 180.0° |
N | CA | C4 | CB | 123.0° | 120.0° |
N | CA | C4 | HA | 118.8° | 120.1° |
N | CA | CB | HA | 118.9° | 120.0° |
N | CA | C4 | CM | 111.1° | 65.0° |
N | CA | C4 | HC1 | 128.8° | 175.0° |
N | CA | C4 | HC2 | 8.9° | 55.0° |
N | CA | CB | CG | 57.5° | 65.0° |
N | CA | CB | HB1 | 62.5° | 55.0° |
N | CA | CB | HB2 | 177.5° | 175.0° |
H | N | CA | C4 | 75.2° | 25.0° |
H | N | CA | CB | 48.7° | 95.0° |
H | N | CA | HA | 167.1° | 145.0° |
C4 | CA | CB | HA | 117.6° | 120.0° |
CA | C4 | CM | HC1 | 120.0° | 120.0° |
CA | C4 | CM | HC2 | 120.0° | 120.0° |
CA | C4 | HC1 | HC2 | 118.3° | 120.1° |
C4 | CA | CB | CG | 179.0° | 175.0° |
C4 | CA | CB | HB1 | 61.0° | 65.0° |
C4 | CA | CB | HB2 | 59.0° | 55.0° |
CA | C4 | CM | HM1 | 29.8° | 60.0° |
CA | C4 | CM | HM2 | 149.8° | 60.0° |
C4 | CA | N | C | 104.8° | 155.0° |
CA | C4 | CM | N1 | 90.2° | 180.0° |
CB | CA | C4 | CM | 125.9° | 175.0° |
CB | CA | C4 | HC1 | 5.9° | 55.1° |
CB | CA | C4 | HC2 | 114.1° | 65.0° |
CA | CB | CG | HB1 | 120.0° | 120.0° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | HB1 | HB2 | 118.4° | 120.0° |
CA | CB | CG | CD1 | 97.7° | 90.1° |
CA | CB | CG | CD2 | 78.4° | 90.3° |
CB | CA | N | C | 131.2° | 85.0° |
HA | CA | C4 | CM | 7.7° | 55.1° |
HA | CA | C4 | HC1 | 112.4° | 64.9° |
HA | CA | C4 | HC2 | 127.6° | 175.0° |
HA | CA | CB | CG | 61.4° | 55.0° |
HA | CA | CB | HB1 | 178.6° | 175.0° |
HA | CA | CB | HB2 | 58.7° | 65.0° |
HA | CA | N | C | 12.9° | 34.9° |
CM | C4 | HC1 | HC2 | 118.3° | 120.0° |
C4 | CM | HM1 | HM2 | 118.9° | 120.0° |
C4 | CM | HM1 | N1 | 122.2° | 120.0° |
C4 | CM | HM2 | N1 | 122.2° | 120.0° |
C4 | CM | N1 | CA1 | 166.1° | 177.0° |
C4 | CM | N1 | H1 | 46.1° | 53.0° |
HC1 | C4 | CM | HM1 | 90.2° | 180.0° |
HC1 | C4 | CM | HM2 | 29.8° | 60.0° |
HC1 | C4 | CM | N1 | 149.8° | 60.0° |
HC2 | C4 | CM | HM1 | 149.8° | 60.0° |
HC2 | C4 | CM | HM2 | 90.2° | 180.0° |
HC2 | C4 | CM | N1 | 29.7° | 60.0° |
CG | CB | HB1 | HB2 | 118.4° | 120.0° |
CB | CG | CD1 | CD2 | 176.2° | 179.6° |
CB | CG | CD1 | CE1 | 175.8° | 180.0° |
CB | CG | CD1 | HD1 | 4.2° | 0.1° |
CB | CG | CD2 | CE2 | 175.8° | 179.9° |
CB | CG | CD2 | HD2 | 4.2° | 0.0° |
HB1 | CB | CG | CD1 | 22.3° | 30.0° |
HB1 | CB | CG | CD2 | 161.6° | 149.7° |
HB2 | CB | CG | CD1 | 142.3° | 150.0° |
HB2 | CB | CG | CD2 | 41.6° | 29.7° |
CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
CD1 | CG | CD2 | CE2 | 0.4° | 0.3° |
CD1 | CG | CD2 | HD2 | 179.6° | 179.6° |
CG | CD1 | CE1 | CZ | 0.1° | 0.1° |
CG | CD1 | CE1 | HE1 | 179.9° | 179.9° |
CD2 | CG | CD1 | CE1 | 0.3° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.7° | 179.7° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
CG | CD2 | CE2 | CZ | 0.2° | 0.0° |
CG | CD2 | CE2 | HE2 | 179.9° | 180.0° |
CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD1 | CE1 | CZ | CE2 | 0.1° | 0.2° |
CD1 | CE1 | CZ | HZ | 179.9° | 180.0° |
HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
CD2 | CE2 | CZ | CE1 | 0.1° | 0.2° |
CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
CD2 | CE2 | CZ | HZ | 179.9° | 179.9° |
HD2 | CD2 | CE2 | CZ | 179.8° | 179.9° |
HD2 | CD2 | CE2 | HE2 | 0.1° | 0.1° |
CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
CE1 | CZ | CE2 | HE2 | 179.9° | 179.7° |
HE1 | CE1 | CZ | CE2 | 179.9° | 179.8° |
HE1 | CE1 | CZ | HZ | 0.1° | 0.1° |
HE2 | CE2 | CZ | HZ | 0.1° | 0.1° |
HM1 | CM | HM2 | N1 | 118.9° | 120.0° |
HM1 | CM | N1 | CA1 | 46.1° | 56.9° |
HM1 | CM | N1 | H1 | 73.9° | 67.0° |
HM2 | CM | N1 | CA1 | 73.9° | 63.1° |
HM2 | CM | N1 | H1 | 166.1° | 173.0° |
CA1 | N1 | H1 | CM | 125.0° | 123.9° |
N1 | CA1 | C5 | CB1 | 124.7° | 119.9° |
N1 | CA1 | C5 | HA1 | 113.8° | 120.0° |
N1 | CA1 | CB1 | HA1 | 114.7° | 120.0° |
N1 | CA1 | C5 | O | 65.7° | 0.0° |
N1 | CA1 | CB1 | CG1 | 174.6° | 57.7° |
N1 | CA1 | CB1 | HB21 | 54.6° | 177.7° |
N1 | CA1 | CB1 | HB3 | 65.4° | 62.3° |
N1 | CA1 | C5 | N2 | 115.5° | 180.0° |
H1 | N1 | CA1 | C5 | 100.2° | 32.4° |
H1 | N1 | CA1 | CB1 | 23.5° | 152.4° |
H1 | N1 | CA1 | HA1 | 144.9° | 87.6° |
C5 | CA1 | CB1 | HA1 | 116.0° | 120.0° |
CA1 | C5 | O | N2 | 178.7° | 180.0° |
C5 | CA1 | CB1 | CG1 | 56.2° | 62.2° |
C5 | CA1 | CB1 | HB21 | 176.2° | 57.7° |
C5 | CA1 | CB1 | HB3 | 63.9° | 177.7° |
CA1 | C5 | N2 | CA2 | 178.7° | 180.0° |
CA1 | C5 | N2 | H2 | 1.3° | 0.0° |
C5 | CA1 | N1 | CM | 19.8° | 156.3° |
CB1 | CA1 | C5 | O | 58.9° | 120.0° |
CA1 | CB1 | CG1 | HB21 | 120.0° | 119.9° |
CA1 | CB1 | CG1 | HB3 | 120.0° | 120.0° |
CA1 | CB1 | HB21 | HB3 | 118.3° | 119.9° |
CA1 | CB1 | CG1 | CD11 | 139.3° | 95.2° |
CA1 | CB1 | CG1 | CD21 | 39.5° | 85.1° |
CB1 | CA1 | N1 | CM | 143.6° | 83.7° |
CB1 | CA1 | C5 | N2 | 119.8° | 60.0° |
HA1 | CA1 | C5 | O | 179.5° | 120.0° |
HA1 | CA1 | CB1 | CG1 | 59.9° | 177.7° |
HA1 | CA1 | CB1 | HB21 | 60.1° | 62.3° |
HA1 | CA1 | CB1 | HB3 | 179.9° | 57.7° |
HA1 | CA1 | N1 | CM | 95.1° | 36.3° |
HA1 | CA1 | C5 | N2 | 1.7° | 60.0° |
O | C5 | N2 | CA2 | 0.0° | 0.0° |
O | C5 | N2 | H2 | 180.0° | 179.9° |
CG1 | CB1 | HB21 | HB3 | 118.3° | 120.1° |
CB1 | CG1 | CD11 | CD21 | 178.8° | 179.7° |
CB1 | CG1 | CD11 | CE11 | 178.5° | 180.0° |
CB1 | CG1 | CD11 | HD11 | 1.5° | 0.1° |
CB1 | CG1 | CD21 | CE21 | 178.5° | 180.0° |
CB1 | CG1 | CD21 | HD21 | 1.5° | 0.0° |
HB21 | CB1 | CG1 | CD11 | 100.7° | 24.7° |
HB21 | CB1 | CG1 | CD21 | 80.5° | 154.9° |
HB3 | CB1 | CG1 | CD11 | 19.3° | 144.8° |
HB3 | CB1 | CG1 | CD21 | 159.5° | 34.8° |
CG1 | CD11 | CE11 | HD11 | 180.0° | 179.9° |
CD11 | CG1 | CD21 | CE21 | 0.3° | 0.3° |
CD11 | CG1 | CD21 | HD21 | 179.7° | 179.7° |
CG1 | CD11 | CE11 | CZ1 | 0.1° | 0.1° |
CG1 | CD11 | CE11 | HE11 | 180.0° | 179.9° |
CD21 | CG1 | CD11 | CE11 | 0.3° | 0.3° |
CD21 | CG1 | CD11 | HD11 | 179.7° | 179.8° |
CG1 | CD21 | CE21 | HD21 | 180.0° | 180.0° |
CG1 | CD21 | CE21 | CZ1 | 0.1° | 0.1° |
CG1 | CD21 | CE21 | HE21 | 179.9° | 179.9° |
CD11 | CE11 | CZ1 | HE11 | 180.0° | 180.0° |
CD11 | CE11 | CZ1 | CE21 | 0.1° | 0.2° |
CD11 | CE11 | CZ1 | HZ1 | 179.9° | 180.0° |
HD11 | CD11 | CE11 | CZ1 | 179.9° | 180.0° |
HD11 | CD11 | CE11 | HE11 | 0.0° | 0.0° |
CD21 | CE21 | CZ1 | CE11 | 0.1° | 0.2° |
CD21 | CE21 | CZ1 | HE21 | 180.0° | 179.9° |
CD21 | CE21 | CZ1 | HZ1 | 179.9° | 180.0° |
HD21 | CD21 | CE21 | CZ1 | 179.9° | 179.9° |
HD21 | CD21 | CE21 | HE21 | 0.1° | 0.0° |
CE11 | CZ1 | CE21 | HZ1 | 180.0° | 179.8° |
CE11 | CZ1 | CE21 | HE21 | 179.9° | 179.7° |
HE11 | CE11 | CZ1 | CE21 | 179.9° | 179.8° |
HE11 | CE11 | CZ1 | HZ1 | 0.1° | 0.0° |
HE21 | CE21 | CZ1 | HZ1 | 0.1° | 0.2° |
CA2 | N2 | H2 | C5 | 180.0° | 179.9° |
N2 | CA2 | C6 | CB2 | 120.4° | 120.0° |
N2 | CA2 | C6 | HA2 | 120.6° | 120.1° |
N2 | CA2 | CB2 | HA2 | 120.6° | 120.0° |
N2 | CA2 | C6 | O3 | 46.0° | 0.1° |
N2 | CA2 | CB2 | CG2 | 179.1° | 65.0° |
N2 | CA2 | CB2 | HB22 | 60.9° | 55.0° |
N2 | CA2 | CB2 | HB31 | 59.1° | 175.0° |
N2 | CA2 | C6 | N3 | 133.9° | 180.0° |
H2 | N2 | CA2 | C6 | 27.3° | 24.9° |
H2 | N2 | CA2 | CB2 | 92.6° | 95.1° |
H2 | N2 | CA2 | HA2 | 148.4° | 145.0° |
C6 | CA2 | CB2 | HA2 | 121.2° | 120.0° |
CA2 | C6 | O3 | N3 | 179.9° | 179.9° |
C6 | CA2 | CB2 | CG2 | 60.9° | 175.0° |
C6 | CA2 | CB2 | HB22 | 179.1° | 65.0° |
C6 | CA2 | CB2 | HB31 | 59.1° | 55.0° |
CA2 | C6 | N3 | CA3 | 179.8° | 180.0° |
CA2 | C6 | N3 | H3 | 0.2° | 0.0° |
C6 | CA2 | N2 | C5 | 152.7° | 155.0° |
CB2 | CA2 | C6 | O3 | 74.3° | 120.0° |
CA2 | CB2 | CG2 | HB22 | 120.0° | 120.0° |
CA2 | CB2 | CG2 | HB31 | 120.0° | 120.0° |
CA2 | CB2 | HB22 | HB31 | 117.9° | 120.0° |
CA2 | CB2 | CG2 | CD | 73.9° | 180.0° |
CA2 | CB2 | CG2 | HG2 | 46.2° | 60.0° |
CA2 | CB2 | CG2 | HG3 | 166.1° | 60.0° |
CB2 | CA2 | N2 | C5 | 87.4° | 85.0° |
CB2 | CA2 | C6 | N3 | 105.8° | 60.0° |
HA2 | CA2 | C6 | O3 | 166.6° | 120.0° |
HA2 | CA2 | CB2 | CG2 | 60.2° | 55.0° |
HA2 | CA2 | CB2 | HB22 | 59.8° | 175.0° |
HA2 | CA2 | CB2 | HB31 | 179.7° | 65.0° |
HA2 | CA2 | N2 | C5 | 31.6° | 35.0° |
HA2 | CA2 | C6 | N3 | 13.3° | 59.9° |
O3 | C6 | N3 | CA3 | 0.3° | 0.0° |
O3 | C6 | N3 | H3 | 179.7° | 179.9° |
CG2 | CB2 | HB22 | HB31 | 117.9° | 120.0° |
CB2 | CG2 | CD | HG2 | 120.0° | 120.0° |
CB2 | CG2 | CD | HG3 | 120.0° | 120.0° |
CB2 | CG2 | HG2 | HG3 | 118.5° | 120.0° |
CB2 | CG2 | CD | OE1 | 166.9° | 0.0° |
CB2 | CG2 | CD | OE2 | 13.8° | 180.0° |
HB22 | CB2 | CG2 | CD | 166.1° | 60.0° |
HB22 | CB2 | CG2 | HG2 | 73.9° | 180.0° |
HB22 | CB2 | CG2 | HG3 | 46.1° | 60.0° |
HB31 | CB2 | CG2 | CD | 46.1° | 60.0° |
HB31 | CB2 | CG2 | HG2 | 166.2° | 60.0° |
HB31 | CB2 | CG2 | HG3 | 73.8° | NaN° |
CD | CG2 | HG2 | HG3 | 118.5° | 120.0° |
CG2 | CD | OE1 | OE2 | 179.3° | 180.0° |
CG2 | CD | OE2 | HE22 | 179.3° | 180.0° |
HG2 | CG2 | CD | OE1 | 46.8° | 120.0° |
HG2 | CG2 | CD | OE2 | 133.8° | 60.0° |
HG3 | CG2 | CD | OE1 | 73.2° | 120.0° |
HG3 | CG2 | CD | OE2 | 106.2° | 60.0° |
OE1 | CD | OE2 | HE22 | 0.0° | 0.0° |
CA3 | N3 | H3 | C6 | 180.0° | 180.0° |
N3 | CA3 | C7 | CB3 | 124.3° | 120.0° |
N3 | CA3 | C7 | HA3 | 116.4° | 120.0° |
N3 | CA3 | CB3 | HA3 | 116.8° | 120.0° |
N3 | CA3 | C7 | O4 | 16.7° | 0.0° |
N3 | CA3 | CB3 | CG3 | 60.3° | 65.0° |
N3 | CA3 | CB3 | HB23 | 179.7° | 55.0° |
N3 | CA3 | CB3 | HB32 | 59.7° | 175.0° |
N3 | CA3 | C7 | N4 | 163.1° | 180.0° |
H3 | N3 | CA3 | C7 | 42.6° | 95.0° |
H3 | N3 | CA3 | CB3 | 81.9° | 25.0° |
H3 | N3 | CA3 | HA3 | 158.8° | 145.0° |
C7 | CA3 | CB3 | HA3 | 116.5° | 119.9° |
CA3 | C7 | O4 | N4 | 179.8° | 180.0° |
C7 | CA3 | CB3 | CG3 | 66.4° | 175.0° |
C7 | CA3 | CB3 | HB23 | 53.6° | 65.0° |
C7 | CA3 | CB3 | HB32 | 173.6° | 55.0° |
CA3 | C7 | N4 | HN1 | 179.8° | 0.0° |
CA3 | C7 | N4 | HN2 | 0.2° | 180.0° |
C7 | CA3 | N3 | C6 | 137.4° | 85.0° |
CB3 | CA3 | C7 | O4 | 107.6° | 120.0° |
CA3 | CB3 | CG3 | HB23 | 120.0° | 119.9° |
CA3 | CB3 | CG3 | HB32 | 120.0° | 120.0° |
CA3 | CB3 | HB23 | HB32 | 118.1° | 120.0° |
CA3 | CB3 | CG3 | CD12 | 99.4° | 89.9° |
CA3 | CB3 | CG3 | CD22 | 81.3° | 90.3° |
CB3 | CA3 | N3 | C6 | 98.1° | 155.0° |
CB3 | CA3 | C7 | N4 | 72.7° | 60.0° |
HA3 | CA3 | C7 | O4 | 133.1° | 120.0° |
HA3 | CA3 | CB3 | CG3 | 177.1° | 55.1° |
HA3 | CA3 | CB3 | HB23 | 62.9° | 175.0° |
HA3 | CA3 | CB3 | HB32 | 57.1° | 65.0° |
HA3 | CA3 | N3 | C6 | 21.2° | 35.0° |
HA3 | CA3 | C7 | N4 | 46.7° | 60.0° |
O4 | C7 | N4 | HN1 | 0.0° | 180.0° |
O4 | C7 | N4 | HN2 | 180.0° | 0.0° |
CG3 | CB3 | HB23 | HB32 | 118.1° | 120.1° |
CB3 | CG3 | CD12 | CD22 | 179.3° | 179.8° |
CB3 | CG3 | CD12 | CE12 | 179.2° | 180.0° |
CB3 | CG3 | CD12 | HD12 | 0.8° | 0.0° |
CB3 | CG3 | CD22 | CE22 | 179.2° | 180.0° |
CB3 | CG3 | CD22 | HD22 | 0.8° | 0.1° |
HB23 | CB3 | CG3 | CD12 | 20.6° | 30.0° |
HB23 | CB3 | CG3 | CD22 | 158.7° | 149.8° |
HB32 | CB3 | CG3 | CD12 | 140.6° | 150.0° |
HB32 | CB3 | CG3 | CD22 | 38.7° | 29.8° |
CG3 | CD12 | CE12 | HD12 | 180.0° | 180.0° |
CD12 | CG3 | CD22 | CE22 | 0.2° | 0.2° |
CD12 | CG3 | CD22 | HD22 | 179.8° | 179.7° |
CG3 | CD12 | CE12 | CZ2 | 0.1° | 0.0° |
CG3 | CD12 | CE12 | HE12 | 179.9° | 180.0° |
CD22 | CG3 | CD12 | CE12 | 0.2° | 0.2° |
CD22 | CG3 | CD12 | HD12 | 179.8° | 179.8° |
CG3 | CD22 | CE22 | HD22 | 180.0° | 179.9° |
CG3 | CD22 | CE22 | CZ2 | 0.1° | 0.0° |
CG3 | CD22 | CE22 | HE23 | 179.9° | 179.9° |
CD12 | CE12 | CZ2 | HE12 | 180.0° | 179.9° |
CD12 | CE12 | CZ2 | CE22 | 0.0° | 0.3° |
CD12 | CE12 | CZ2 | HZ2 | 180.0° | 180.0° |
HD12 | CD12 | CE12 | CZ2 | 179.9° | 180.0° |
HD12 | CD12 | CE12 | HE12 | 0.1° | 0.1° |
CD22 | CE22 | CZ2 | CE12 | 0.0° | 0.3° |
CD22 | CE22 | CZ2 | HE23 | 180.0° | 180.0° |
CD22 | CE22 | CZ2 | HZ2 | 179.9° | 180.0° |
HD22 | CD22 | CE22 | CZ2 | 179.9° | 179.9° |
HD22 | CD22 | CE22 | HE23 | 0.1° | 0.1° |
CE12 | CZ2 | CE22 | HZ2 | 180.0° | 179.7° |
CE12 | CZ2 | CE22 | HE23 | 180.0° | 179.7° |
HE12 | CE12 | CZ2 | CE22 | 180.0° | 179.8° |
HE12 | CE12 | CZ2 | HZ2 | 0.0° | 0.1° |
HE23 | CE22 | CZ2 | HZ2 | 0.0° | 0.0° |
HN1 | N4 | HN2 | C7 | 180.0° | 180.0° |