0QB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N | sing | 1.46Å | 1.45Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | N | sing | 1.46Å | 1.46Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C2 | H23 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.17Å | |
C | N | sing | 1.35Å | 1.34Å | |
N1 | C3 | sing | 1.35Å | 1.35Å | |
N1 | CA | sing | 1.47Å | 1.47Å | |
N1 | CB | sing | 1.46Å | 1.45Å | |
C3 | O1 | doub | 1.21Å | 1.20Å | |
CA | HA2 | sing | 1.09Å | 1.10Å | |
CA | HA3 | sing | 1.09Å | 1.10Å | |
CB | CG2 | sing | 1.53Å | 1.53Å | |
CB | CG | sing | 1.51Å | 1.55Å | |
CB | HB | 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 | |
CG | CD1 | doub | 1.38Å | 1.34Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.34Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.34Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | CE2 | doub | 1.38Å | 1.34Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | CZ | doub | 1.38Å | 1.34Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | sing | 1.38Å | 1.33Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CZ | HZ | sing | 1.08Å | 1.08Å | |
C4 | O2 | doub | 1.21Å | 1.20Å | |
C4 | CA1 | sing | 1.51Å | 1.52Å | |
CA1 | CN | sing | 1.53Å | 1.54Å | |
CA1 | CB1 | sing | 1.53Å | 1.54Å | |
CA1 | HA | sing | 1.09Å | 1.10Å | |
CN | HN2 | sing | 1.09Å | 1.10Å | |
CN | HN3 | sing | 1.09Å | 1.10Å | |
CB1 | CG1 | sing | 1.51Å | 1.54Å | |
CB1 | HB1 | sing | 1.09Å | 1.10Å | |
CB1 | HB2 | sing | 1.09Å | 1.10Å | |
CG1 | CD21 | doub | 1.33Å | 1.33Å | Aromatic |
CG1 | ND1 | sing | 1.32Å | 1.36Å | Aromatic |
CD21 | SE2 | sing | 1.76Å | 1.80Å | Aromatic |
CD21 | HD21 | sing | 1.08Å | 1.08Å | |
SE2 | CE11 | sing | 1.71Å | 1.76Å | Aromatic |
CE11 | ND1 | doub | 1.30Å | 1.28Å | Aromatic |
CE11 | NZ | sing | 1.39Å | 1.30Å | |
NZ | HNZ1 | sing | 0.97Å | 1.00Å | |
NZ | HNZ2 | sing | 0.97Å | 1.00Å | |
C11 | C21 | sing | 1.53Å | 1.57Å | |
C11 | O11 | sing | 1.43Å | 1.43Å | |
C11 | H121 | sing | 1.09Å | 1.10Å | |
C21 | C31 | sing | 1.53Å | 1.57Å | |
C21 | N2 | sing | 1.47Å | 1.50Å | |
C21 | H2 | sing | 1.09Å | 1.10Å | |
C31 | C1' | sing | 1.53Å | 1.54Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C31 | H32 | sing | 1.09Å | 1.10Å | |
C1' | C2' | sing | 1.53Å | 1.56Å | |
C1' | C6' | sing | 1.53Å | 1.54Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | C3' | sing | 1.53Å | 1.56Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
C3' | C4' | sing | 1.53Å | 1.54Å | |
C3' | H3'1 | sing | 1.09Å | 1.10Å | |
C3' | H3'2 | sing | 1.09Å | 1.10Å | |
C4' | C5' | sing | 1.53Å | 1.56Å | |
C4' | H4'1 | sing | 1.09Å | 1.10Å | |
C4' | H4'2 | sing | 1.09Å | 1.10Å | |
C5' | C6' | sing | 1.53Å | 1.56Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C6' | H6'1 | sing | 1.09Å | 1.10Å | |
C6' | H6'2 | sing | 1.09Å | 1.10Å | |
N2 | HN22 | sing | 0.97Å | 1.00Å | |
O11 | HO1 | sing | 0.97Å | 0.95Å | |
N11 | C22 | sing | 1.34Å | 1.36Å | |
N11 | C5 | sing | 1.47Å | 1.42Å | |
N11 | CM1 | sing | 1.46Å | 1.42Å | |
C22 | O21 | doub | 1.21Å | 1.28Å | |
C22 | C32 | sing | 1.51Å | 1.52Å | |
C32 | C41 | sing | 1.55Å | 1.58Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
C41 | C5 | sing | 1.55Å | 1.58Å | |
C41 | H41 | sing | 1.09Å | 1.10Å | |
C41 | H42 | sing | 1.09Å | 1.10Å | |
C5 | CM2 | sing | 1.53Å | 1.56Å | |
C5 | CM3 | sing | 1.53Å | 1.56Å | |
CM1 | HM11 | sing | 1.09Å | 1.10Å | |
CM1 | HM12 | sing | 1.09Å | 1.10Å | |
CM1 | HM13 | sing | 1.09Å | 1.10Å | |
CM2 | HM21 | sing | 1.09Å | 1.10Å | |
CM2 | HM22 | sing | 1.09Å | 1.10Å | |
CM2 | HM23 | sing | 1.09Å | 1.10Å | |
CM3 | HM31 | sing | 1.09Å | 1.10Å | |
CM3 | HM32 | sing | 1.09Å | 1.10Å | |
CM3 | HM33 | sing | 1.09Å | 1.10Å | |
C | CA | sing | 1.51Å | 1.49Å | |
C3 | CN | sing | 1.51Å | 1.52Å | |
C4 | N2 | sing | 1.35Å | 1.38Å | |
C11 | C32 | sing | 1.53Å | 1.57Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C1 | H11 | 109.5° | 109.5° |
N | C1 | H12 | 109.5° | 109.4° |
N | C1 | H13 | 109.5° | 109.5° |
C1 | N | C2 | 116.9° | 120.0° |
C1 | N | C | 121.7° | 120.0° |
H11 | C1 | H12 | 109.5° | 109.4° |
H11 | C1 | H13 | 109.5° | 109.5° |
H12 | C1 | H13 | 109.5° | 109.5° |
N | C2 | H21 | 109.5° | 109.5° |
N | C2 | H22 | 109.4° | 109.5° |
N | C2 | H23 | 109.5° | 109.5° |
C2 | N | C | 121.3° | 120.0° |
H21 | C2 | H22 | 109.5° | 109.4° |
H21 | C2 | H23 | 109.5° | 109.4° |
H22 | C2 | H23 | 109.5° | 109.5° |
O | C | N | 117.8° | 120.0° |
O | C | CA | 119.9° | 120.0° |
N | C | CA | 122.2° | 120.0° |
C3 | N1 | CA | 120.4° | 120.0° |
C3 | N1 | CB | 118.0° | 120.0° |
N1 | C3 | O1 | 122.4° | 120.0° |
N1 | C3 | CN | 117.3° | 120.0° |
CA | N1 | CB | 121.1° | 120.0° |
N1 | CA | HA2 | 109.7° | 109.5° |
N1 | CA | HA3 | 109.9° | 109.5° |
N1 | CA | C | 108.8° | 109.4° |
N1 | CB | CG2 | 105.6° | 109.5° |
N1 | CB | CG | 107.5° | 109.4° |
N1 | CB | HB | 115.6° | 109.5° |
O1 | C3 | CN | 120.2° | 120.0° |
HA2 | CA | HA3 | 109.0° | 109.5° |
HA2 | CA | C | 109.7° | 109.4° |
HA3 | CA | C | 109.8° | 109.5° |
CG2 | CB | CG | 115.8° | 109.4° |
CG2 | CB | HB | 107.3° | 109.5° |
CB | CG2 | HG21 | 109.5° | 109.5° |
CB | CG2 | HG22 | 109.5° | 109.5° |
CB | CG2 | HG23 | 109.5° | 109.5° |
CG | CB | HB | 105.4° | 109.5° |
CB | CG | CD1 | 120.3° | 120.0° |
CB | CG | CD2 | 120.5° | 120.1° |
HG21 | CG2 | HG22 | 109.4° | 109.5° |
HG21 | CG2 | HG23 | 109.5° | 109.5° |
HG22 | CG2 | HG23 | 109.5° | 109.4° |
CD1 | CG | CD2 | 119.1° | 120.0° |
CG | CD1 | CE1 | 120.0° | 120.0° |
CG | CD1 | HD1 | 120.0° | 120.0° |
CG | CD2 | CE2 | 120.5° | 120.0° |
CG | CD2 | HD2 | 119.7° | 120.0° |
CE1 | CD1 | HD1 | 120.0° | 120.0° |
CD1 | CE1 | CZ | 120.5° | 120.0° |
CD1 | CE1 | HE1 | 119.8° | 120.0° |
CE2 | CD2 | HD2 | 119.7° | 120.0° |
CD2 | CE2 | CZ | 120.4° | 120.0° |
CD2 | CE2 | HE2 | 119.8° | 120.0° |
CZ | CE1 | HE1 | 119.8° | 120.0° |
CE1 | CZ | CE2 | 119.5° | 120.0° |
CE1 | CZ | HZ | 120.3° | 120.0° |
CZ | CE2 | HE2 | 119.8° | 120.0° |
CE2 | CZ | HZ | 120.3° | 120.0° |
O2 | C4 | CA1 | 115.3° | 120.0° |
O2 | C4 | N2 | 122.0° | 119.9° |
C4 | CA1 | CN | 103.5° | 109.5° |
C4 | CA1 | CB1 | 107.0° | 109.5° |
C4 | CA1 | HA | 114.3° | 109.5° |
CA1 | C4 | N2 | 122.6° | 120.0° |
CN | CA1 | CB1 | 108.3° | 109.5° |
CN | CA1 | HA | 113.2° | 109.5° |
CA1 | CN | HN2 | 109.5° | 109.5° |
CA1 | CN | HN3 | 109.6° | 109.5° |
CA1 | CN | C3 | 109.3° | 109.5° |
CB1 | CA1 | HA | 110.1° | 109.4° |
CA1 | CB1 | CG1 | 108.5° | 109.5° |
CA1 | CB1 | HB1 | 109.8° | 109.5° |
CA1 | CB1 | HB2 | 110.0° | 109.5° |
HN2 | CN | HN3 | 109.3° | 109.5° |
HN2 | CN | C3 | 109.5° | 109.5° |
HN3 | CN | C3 | 109.6° | 109.5° |
CG1 | CB1 | HB1 | 109.8° | 109.4° |
CG1 | CB1 | HB2 | 110.0° | 109.5° |
CB1 | CG1 | CD21 | 121.5° | 122.7° |
CB1 | CG1 | ND1 | 122.8° | 122.7° |
HB1 | CB1 | HB2 | 108.7° | 109.5° |
CD21 | CG1 | ND1 | 115.7° | 114.6° |
CG1 | CD21 | SE2 | 110.1° | 108.1° |
CG1 | CD21 | HD21 | 124.9° | 125.9° |
CG1 | ND1 | CE11 | 113.0° | 116.9° |
SE2 | CD21 | HD21 | 124.9° | 125.9° |
CD21 | SE2 | CE11 | 86.3° | 90.3° |
SE2 | CE11 | ND1 | 114.9° | 110.1° |
SE2 | CE11 | NZ | 119.1° | 124.9° |
ND1 | CE11 | NZ | 126.0° | 125.0° |
CE11 | NZ | HNZ1 | 109.5° | 120.1° |
CE11 | NZ | HNZ2 | 109.5° | 120.0° |
HNZ1 | NZ | HNZ2 | 109.5° | 119.9° |
C21 | C11 | O11 | 107.5° | 109.5° |
C21 | C11 | H121 | 110.4° | 109.5° |
C11 | C21 | C31 | 108.6° | 109.5° |
C11 | C21 | N2 | 112.4° | 109.5° |
C11 | C21 | H2 | 107.6° | 109.5° |
C21 | C11 | C32 | 110.5° | 109.5° |
O11 | C11 | H121 | 110.5° | 109.5° |
C11 | O11 | HO1 | 109.5° | 114.0° |
O11 | C11 | C32 | 110.4° | 109.5° |
H121 | C11 | C32 | 107.5° | 109.5° |
C31 | C21 | N2 | 108.1° | 109.5° |
C31 | C21 | H2 | 111.9° | 109.5° |
C21 | C31 | C1' | 110.6° | 109.5° |
C21 | C31 | H31 | 109.1° | 109.5° |
C21 | C31 | H32 | 108.8° | 109.5° |
N2 | C21 | H2 | 108.2° | 109.4° |
C21 | N2 | HN22 | 118.8° | 120.0° |
C21 | N2 | C4 | 122.5° | 120.0° |
C1' | C31 | H31 | 109.1° | 109.5° |
C1' | C31 | H32 | 108.8° | 109.5° |
C31 | C1' | C2' | 111.5° | 109.5° |
C31 | C1' | C6' | 106.5° | 109.5° |
C31 | C1' | H1' | 110.1° | 109.5° |
H31 | C31 | H32 | 110.4° | 109.5° |
C2' | C1' | C6' | 109.3° | 109.5° |
C2' | C1' | H1' | 107.4° | 109.5° |
C1' | C2' | C3' | 111.8° | 109.5° |
C1' | C2' | H2'1 | 108.7° | 109.5° |
C1' | C2' | H2'2 | 108.2° | 109.4° |
C6' | C1' | H1' | 112.2° | 109.5° |
C1' | C6' | C5' | 110.3° | 109.5° |
C1' | C6' | H6'1 | 109.2° | 109.5° |
C1' | C6' | H6'2 | 109.0° | 109.4° |
C3' | C2' | H2'1 | 108.7° | 109.4° |
C3' | C2' | H2'2 | 108.2° | 109.4° |
C2' | C3' | C4' | 110.1° | 109.4° |
C2' | C3' | H3'1 | 109.3° | 109.5° |
C2' | C3' | H3'2 | 109.1° | 109.5° |
H2'1 | C2' | H2'2 | 111.3° | 109.5° |
C4' | C3' | H3'1 | 109.2° | 109.5° |
C4' | C3' | H3'2 | 109.1° | 109.5° |
C3' | C4' | C5' | 109.7° | 109.5° |
C3' | C4' | H4'1 | 109.4° | 109.5° |
C3' | C4' | H4'2 | 109.4° | 109.5° |
H3'1 | C3' | H3'2 | 110.0° | 109.5° |
C5' | C4' | H4'1 | 109.4° | 109.4° |
C5' | C4' | H4'2 | 109.4° | 109.5° |
C4' | C5' | C6' | 110.9° | 109.4° |
C4' | C5' | H5'1 | 109.0° | 109.5° |
C4' | C5' | H5'2 | 108.6° | 109.5° |
H4'1 | C4' | H4'2 | 109.6° | 109.5° |
C6' | C5' | H5'1 | 109.0° | 109.6° |
C6' | C5' | H5'2 | 108.7° | 109.5° |
C5' | C6' | H6'1 | 109.2° | 109.5° |
C5' | C6' | H6'2 | 109.0° | 109.4° |
H5'1 | C5' | H5'2 | 110.6° | 109.4° |
H6'1 | C6' | H6'2 | 110.1° | 109.5° |
HN22 | N2 | C4 | 118.8° | 120.0° |
C22 | N11 | C5 | 114.2° | 111.3° |
C22 | N11 | CM1 | 123.6° | 124.4° |
N11 | C22 | O21 | 123.8° | 124.9° |
N11 | C22 | C32 | 112.6° | 110.1° |
C5 | N11 | CM1 | 121.6° | 124.3° |
N11 | C5 | C41 | 104.4° | 105.5° |
N11 | C5 | CM2 | 104.3° | 110.2° |
N11 | C5 | CM3 | 114.0° | 110.3° |
N11 | CM1 | HM11 | 109.5° | 109.5° |
N11 | CM1 | HM12 | 109.5° | 109.5° |
N11 | CM1 | HM13 | 109.4° | 109.5° |
O21 | C22 | C32 | 123.2° | 124.9° |
C22 | C32 | C41 | 101.1° | 104.2° |
C22 | C32 | H321 | 114.5° | 110.5° |
C22 | C32 | C11 | 113.2° | 110.5° |
C41 | C32 | H321 | 113.2° | 110.6° |
C32 | C41 | C5 | 107.2° | 101.8° |
C32 | C41 | H41 | 110.2° | 111.0° |
C32 | C41 | H42 | 110.7° | 111.0° |
C41 | C32 | C11 | 114.4° | 110.5° |
H321 | C32 | C11 | 101.1° | 110.4° |
C5 | C41 | H41 | 110.3° | 111.0° |
C5 | C41 | H42 | 110.7° | 110.9° |
C41 | C5 | CM2 | 113.6° | 110.2° |
C41 | C5 | CM3 | 110.3° | 110.2° |
H41 | C41 | H42 | 107.7° | 110.9° |
CM2 | C5 | CM3 | 110.1° | 110.3° |
C5 | CM2 | HM21 | 109.5° | 109.5° |
C5 | CM2 | HM22 | 109.4° | 109.5° |
C5 | CM2 | HM23 | 109.4° | 109.5° |
C5 | CM3 | HM31 | 109.5° | 109.5° |
C5 | CM3 | HM32 | 109.5° | 109.5° |
C5 | CM3 | HM33 | 109.4° | 109.5° |
HM11 | CM1 | HM12 | 109.4° | 109.5° |
HM11 | CM1 | HM13 | 109.5° | 109.5° |
HM12 | CM1 | HM13 | 109.6° | 109.4° |
HM21 | CM2 | HM22 | 109.4° | 109.5° |
HM21 | CM2 | HM23 | 109.5° | 109.4° |
HM22 | CM2 | HM23 | 109.6° | 109.5° |
HM31 | CM3 | HM32 | 109.5° | 109.4° |
HM31 | CM3 | HM33 | 109.5° | 109.4° |
HM32 | CM3 | HM33 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C1 | H11 | H12 | 120.0° | 120.0° |
N | C1 | H11 | H13 | 120.0° | 120.0° |
N | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | N | C2 | C | 176.6° | 180.0° |
C1 | N | C2 | H21 | 166.5° | 90.0° |
C1 | N | C2 | H22 | 73.5° | 150.0° |
C1 | N | C2 | H23 | 46.5° | 30.0° |
C1 | N | C | O | 175.8° | 4.9° |
C1 | N | C | CA | 2.8° | 175.1° |
H11 | C1 | H12 | H13 | 120.0° | 120.1° |
H11 | C1 | N | C2 | 113.3° | 84.9° |
H11 | C1 | N | C | 63.2° | 95.1° |
H12 | C1 | N | C2 | 6.7° | 155.1° |
H12 | C1 | N | C | 176.8° | 24.9° |
H13 | C1 | N | C2 | 126.7° | 35.1° |
H13 | C1 | N | C | 56.8° | 144.9° |
N | C2 | H21 | H22 | 120.0° | 120.0° |
N | C2 | H21 | H23 | 120.0° | 120.0° |
N | C2 | H22 | H23 | 120.0° | 120.1° |
C2 | N | C | O | 0.6° | 175.1° |
C2 | N | C | CA | 179.2° | 4.9° |
H21 | C2 | H22 | H23 | 120.0° | 119.9° |
H21 | C2 | N | C | 10.1° | 90.0° |
H22 | C2 | N | C | 109.9° | 30.0° |
H23 | C2 | N | C | 130.1° | 150.0° |
O | C | N | CA | 178.6° | 180.0° |
O | C | CA | N1 | 17.6° | 3.9° |
O | C | CA | HA2 | 102.4° | 123.9° |
O | C | CA | HA3 | 137.9° | 116.1° |
N | C | CA | N1 | 161.0° | 176.1° |
N | C | CA | HA2 | 79.0° | 56.1° |
N | C | CA | HA3 | 40.7° | 63.9° |
C3 | N1 | CA | CB | 171.8° | 180.0° |
N1 | C3 | O1 | CN | 178.5° | 180.0° |
C3 | N1 | CA | HA2 | 40.8° | 24.2° |
C3 | N1 | CA | HA3 | 160.6° | 144.2° |
C3 | N1 | CB | CG2 | 127.8° | 7.3° |
C3 | N1 | CB | CG | 108.0° | 112.6° |
C3 | N1 | CB | HB | 9.3° | 127.4° |
N1 | C3 | CN | CA1 | 144.6° | 176.1° |
N1 | C3 | CN | HN2 | 95.4° | 56.2° |
N1 | C3 | CN | HN3 | 24.6° | 63.8° |
C3 | N1 | CA | C | 79.2° | 95.8° |
CA | N1 | C3 | O1 | 4.4° | 174.8° |
N1 | CA | HA2 | HA3 | 120.3° | 120.0° |
N1 | CA | HA2 | C | 119.4° | 120.0° |
N1 | CA | HA3 | C | 119.6° | 120.0° |
CA | N1 | CB | CG2 | 60.2° | 172.7° |
CA | N1 | CB | CG | 64.0° | 67.4° |
CA | N1 | CB | HB | 178.6° | 52.6° |
CA | N1 | C3 | CN | 177.0° | 5.2° |
CB | N1 | C3 | O1 | 176.5° | 5.2° |
CB | N1 | CA | HA2 | 131.0° | 155.8° |
CB | N1 | CA | HA3 | 11.3° | 35.8° |
N1 | CB | CG2 | CG | 118.8° | 119.9° |
N1 | CB | CG2 | HB | 123.8° | 120.0° |
N1 | CB | CG | HB | 123.8° | 120.0° |
N1 | CB | CG2 | HG21 | 108.9° | 52.6° |
N1 | CB | CG2 | HG22 | 11.1° | 67.4° |
N1 | CB | CG2 | HG23 | 131.1° | 172.7° |
N1 | CB | CG | CD1 | 122.1° | 143.3° |
N1 | CB | CG | CD2 | 55.5° | 36.9° |
CB | N1 | CA | C | 109.0° | 84.2° |
CB | N1 | C3 | CN | 4.9° | 174.8° |
O1 | C3 | CN | CA1 | 34.0° | 3.8° |
O1 | C3 | CN | HN2 | 86.0° | 123.8° |
O1 | C3 | CN | HN3 | 154.1° | 116.2° |
HA2 | CA | HA3 | C | 120.2° | 120.0° |
CG2 | CB | CG | HB | 118.4° | 120.0° |
CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
CG2 | CB | CG | CD1 | 4.3° | 96.7° |
CG2 | CB | CG | CD2 | 173.2° | 83.0° |
CG | CB | CG2 | HG21 | 132.3° | 172.6° |
CG | CB | CG2 | HG22 | 107.7° | 52.6° |
CG | CB | CG2 | HG23 | 12.3° | 67.4° |
CB | CG | CD1 | CD2 | 177.6° | 179.7° |
CB | CG | CD1 | CE1 | 178.2° | 180.0° |
CB | CG | CD1 | HD1 | 1.8° | 0.0° |
CB | CG | CD2 | CE2 | 179.4° | 180.0° |
CB | CG | CD2 | HD2 | 0.6° | 0.0° |
HB | CB | CG2 | HG21 | 15.0° | 67.4° |
HB | CB | CG2 | HG22 | 134.9° | 172.6° |
HB | CB | CG2 | HG23 | 105.0° | 52.6° |
HB | CB | CG | CD1 | 114.1° | 23.3° |
HB | CB | CG | CD2 | 68.3° | 157.0° |
HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 1.8° | 0.3° |
CD1 | CG | CD2 | HD2 | 178.2° | 179.7° |
CG | CD1 | CE1 | CZ | 1.0° | 0.0° |
CG | CD1 | CE1 | HE1 | 179.0° | 179.9° |
CD2 | CG | CD1 | CE1 | 0.6° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.4° | 179.8° |
CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
CG | CD2 | CE2 | CZ | 1.4° | 0.1° |
CG | CD2 | CE2 | HE2 | 178.6° | 180.0° |
CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
CD1 | CE1 | CZ | CE2 | 1.4° | 0.2° |
CD1 | CE1 | CZ | HZ | 178.6° | 179.9° |
HD1 | CD1 | CE1 | CZ | 179.0° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 1.0° | 0.1° |
CD2 | CE2 | CZ | CE1 | 0.2° | 0.2° |
CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
CD2 | CE2 | CZ | HZ | 179.8° | 180.0° |
HD2 | CD2 | CE2 | CZ | 178.6° | 179.9° |
HD2 | CD2 | CE2 | HE2 | 1.4° | 0.0° |
CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
CE1 | CZ | CE2 | HE2 | 179.8° | 179.7° |
HE1 | CE1 | CZ | CE2 | 178.6° | 179.8° |
HE1 | CE1 | CZ | HZ | 1.4° | 0.0° |
HE2 | CE2 | CZ | HZ | 0.2° | 0.1° |
O2 | C4 | CA1 | N2 | 174.9° | 180.0° |
O2 | C4 | CA1 | CN | 70.0° | 3.4° |
O2 | C4 | CA1 | CB1 | 44.3° | 123.4° |
O2 | C4 | CA1 | HA | 166.4° | 116.6° |
O2 | C4 | N2 | C21 | 1.9° | 4.8° |
O2 | C4 | N2 | HN22 | 178.1° | 175.2° |
C4 | CA1 | CN | CB1 | 113.3° | 120.0° |
C4 | CA1 | CN | HA | 124.4° | 120.0° |
C4 | CA1 | CB1 | HA | 124.8° | 120.0° |
C4 | CA1 | CN | HN2 | 47.5° | 66.8° |
C4 | CA1 | CN | HN3 | 72.4° | 53.2° |
C4 | CA1 | CB1 | CG1 | 86.8° | 54.5° |
C4 | CA1 | CB1 | HB1 | 153.2° | 65.4° |
C4 | CA1 | CB1 | HB2 | 33.6° | 174.5° |
CA1 | C4 | N2 | C21 | 176.5° | 175.2° |
CA1 | C4 | N2 | HN22 | 3.5° | 4.8° |
C4 | CA1 | CN | C3 | 167.5° | 173.2° |
CN | CA1 | CB1 | HA | 124.2° | 120.0° |
CA1 | CN | HN2 | HN3 | 120.1° | 120.0° |
CA1 | CN | HN2 | C3 | 119.8° | 120.0° |
CA1 | CN | HN3 | C3 | 119.9° | 120.0° |
CN | CA1 | CB1 | CG1 | 162.2° | 65.5° |
CN | CA1 | CB1 | HB1 | 42.2° | 174.6° |
CN | CA1 | CB1 | HB2 | 77.4° | 54.5° |
CN | CA1 | C4 | N2 | 105.0° | 176.6° |
CB1 | CA1 | CN | HN2 | 160.8° | 53.2° |
CB1 | CA1 | CN | HN3 | 40.9° | 173.2° |
CA1 | CB1 | CG1 | HB1 | 120.0° | 120.0° |
CA1 | CB1 | CG1 | HB2 | 120.4° | 120.0° |
CA1 | CB1 | HB1 | HB2 | 120.4° | 120.0° |
CA1 | CB1 | CG1 | CD21 | 103.6° | 122.2° |
CA1 | CB1 | CG1 | ND1 | 73.3° | 58.1° |
CB1 | CA1 | CN | C3 | 79.2° | 66.8° |
CB1 | CA1 | C4 | N2 | 140.8° | 56.6° |
HA | CA1 | CN | HN2 | 76.9° | 173.2° |
HA | CA1 | CN | HN3 | 163.2° | 66.8° |
HA | CA1 | CB1 | CG1 | 38.0° | 174.5° |
HA | CA1 | CB1 | HB1 | 82.0° | 54.6° |
HA | CA1 | CB1 | HB2 | 158.4° | 65.5° |
HA | CA1 | CN | C3 | 43.1° | 53.2° |
HA | CA1 | C4 | N2 | 18.6° | 63.4° |
HN2 | CN | HN3 | C3 | 120.1° | 120.0° |
CG1 | CB1 | HB1 | HB2 | 120.4° | 120.0° |
CB1 | CG1 | CD21 | ND1 | 177.1° | 179.7° |
CB1 | CG1 | CD21 | SE2 | 177.9° | 180.0° |
CB1 | CG1 | CD21 | HD21 | 2.1° | 0.0° |
CB1 | CG1 | ND1 | CE11 | 177.9° | 179.8° |
HB1 | CB1 | CG1 | CD21 | 136.3° | 2.2° |
HB1 | CB1 | CG1 | ND1 | 46.8° | 178.1° |
HB2 | CB1 | CG1 | CD21 | 16.8° | 117.8° |
HB2 | CB1 | CG1 | ND1 | 166.3° | 61.9° |
CG1 | CD21 | SE2 | HD21 | 180.0° | 180.0° |
CG1 | CD21 | SE2 | CE11 | 0.4° | 0.0° |
CD21 | CG1 | ND1 | CE11 | 0.8° | 0.5° |
ND1 | CG1 | CD21 | SE2 | 0.7° | 0.3° |
ND1 | CG1 | CD21 | HD21 | 179.2° | 179.8° |
CG1 | ND1 | CE11 | SE2 | 0.5° | 0.5° |
CG1 | ND1 | CE11 | NZ | 178.4° | 179.8° |
CD21 | SE2 | CE11 | ND1 | 0.0° | 0.2° |
CD21 | SE2 | CE11 | NZ | 178.1° | 180.0° |
HD21 | CD21 | SE2 | CE11 | 179.6° | 180.0° |
SE2 | CE11 | ND1 | NZ | 177.9° | 179.7° |
SE2 | CE11 | NZ | HNZ1 | 160.3° | 5.1° |
SE2 | CE11 | NZ | HNZ2 | 79.7° | 174.9° |
ND1 | CE11 | NZ | HNZ1 | 17.5° | 175.2° |
ND1 | CE11 | NZ | HNZ2 | 102.5° | 4.8° |
CE11 | NZ | HNZ1 | HNZ2 | 120.0° | 180.0° |
C21 | C11 | O11 | H121 | 120.5° | 120.0° |
C21 | C11 | O11 | C32 | 120.7° | 120.0° |
C21 | C11 | H121 | C32 | 120.6° | 120.0° |
C11 | C21 | C31 | N2 | 122.3° | 120.0° |
C11 | C21 | C31 | H2 | 118.7° | 120.1° |
C11 | C21 | N2 | H2 | 118.7° | 120.0° |
C11 | C21 | C31 | C1' | 168.5° | 177.3° |
C11 | C21 | C31 | H31 | 48.5° | 62.7° |
C11 | C21 | C31 | H32 | 72.0° | 57.2° |
C11 | C21 | N2 | HN22 | 59.5° | 89.6° |
C21 | C11 | O11 | HO1 | 31.1° | 60.0° |
C21 | C11 | C32 | C22 | 94.7° | 178.9° |
C21 | C11 | C32 | C41 | 150.2° | 64.2° |
C21 | C11 | C32 | H321 | 28.2° | 58.5° |
C11 | C21 | N2 | C4 | 120.5° | 90.4° |
O11 | C11 | H121 | C32 | 120.6° | 120.0° |
O11 | C11 | C21 | C31 | 73.2° | 175.6° |
O11 | C11 | C21 | N2 | 46.4° | 55.6° |
O11 | C11 | C21 | H2 | 165.4° | 64.3° |
O11 | C11 | C32 | C22 | 146.4° | 58.9° |
O11 | C11 | C32 | C41 | 31.3° | 55.8° |
O11 | C11 | C32 | H321 | 90.6° | 178.5° |
H121 | C11 | C21 | C31 | 47.4° | 55.6° |
H121 | C11 | C21 | N2 | 167.0° | 64.3° |
H121 | C11 | C21 | H2 | 74.0° | 175.7° |
H121 | C11 | O11 | HO1 | 89.5° | 60.0° |
H121 | C11 | C32 | C22 | 25.8° | 61.0° |
H121 | C11 | C32 | C41 | 89.3° | 175.8° |
H121 | C11 | C32 | H321 | 148.7° | 61.5° |
C31 | C21 | N2 | H2 | 121.4° | 120.0° |
C21 | C31 | C1' | H31 | 120.0° | 120.0° |
C21 | C31 | C1' | H32 | 119.5° | 120.0° |
C21 | C31 | H31 | H32 | 119.5° | 120.0° |
C21 | C31 | C1' | C2' | 143.0° | 175.0° |
C21 | C31 | C1' | C6' | 97.9° | 65.0° |
C21 | C31 | C1' | H1' | 24.0° | 55.0° |
C31 | C21 | N2 | HN22 | 60.4° | 30.4° |
C31 | C21 | N2 | C4 | 119.6° | 149.6° |
C31 | C21 | C11 | C32 | 166.2° | 64.4° |
N2 | C21 | C31 | C1' | 46.3° | 62.8° |
N2 | C21 | C31 | H31 | 73.8° | 57.3° |
N2 | C21 | C31 | H32 | 165.8° | 177.2° |
C21 | N2 | HN22 | C4 | 180.0° | 180.0° |
N2 | C21 | C11 | C32 | 74.2° | 175.6° |
H2 | C21 | C31 | C1' | 72.8° | 57.2° |
H2 | C21 | C31 | H31 | 167.2° | 177.2° |
H2 | C21 | C31 | H32 | 46.7° | 62.8° |
H2 | C21 | N2 | HN22 | 178.2° | 150.3° |
H2 | C21 | N2 | C4 | 1.8° | 29.7° |
H2 | C21 | C11 | C32 | 44.8° | 55.7° |
C1' | C31 | H31 | H32 | 119.5° | 120.0° |
C31 | C1' | C2' | C6' | 117.4° | 120.0° |
C31 | C1' | C2' | H1' | 120.6° | 120.0° |
C31 | C1' | C6' | H1' | 120.5° | 120.0° |
C31 | C1' | C2' | C3' | 174.9° | 180.0° |
C31 | C1' | C2' | H2'1 | 65.1° | 60.0° |
C31 | C1' | C2' | H2'2 | 55.9° | 60.0° |
C31 | C1' | C6' | C5' | 178.1° | 180.0° |
C31 | C1' | C6' | H6'1 | 58.1° | 60.0° |
C31 | C1' | C6' | H6'2 | 62.3° | 60.0° |
H31 | C31 | C1' | C2' | 23.0° | 55.0° |
H31 | C31 | C1' | C6' | 142.1° | 175.0° |
H31 | C31 | C1' | H1' | 96.0° | 65.0° |
H32 | C31 | C1' | C2' | 97.5° | 65.0° |
H32 | C31 | C1' | C6' | 21.6° | 55.0° |
H32 | C31 | C1' | H1' | 143.5° | 175.0° |
C2' | C1' | C6' | H1' | 119.0° | 120.0° |
C1' | C2' | C3' | H2'1 | 120.0° | 120.0° |
C1' | C2' | C3' | H2'2 | 119.0° | 120.0° |
C1' | C2' | H2'1 | H2'2 | 119.0° | 120.0° |
C1' | C2' | C3' | C4' | 57.5° | 60.0° |
C1' | C2' | C3' | H3'1 | 62.5° | 60.0° |
C1' | C2' | C3' | H3'2 | 177.3° | 180.0° |
C2' | C1' | C6' | C5' | 57.5° | 60.0° |
C2' | C1' | C6' | H6'1 | 62.4° | 60.0° |
C2' | C1' | C6' | H6'2 | 177.2° | 179.9° |
C6' | C1' | C2' | C3' | 57.5° | 60.0° |
C6' | C1' | C2' | H2'1 | 177.5° | 180.0° |
C6' | C1' | C2' | H2'2 | 61.5° | 60.0° |
C1' | C6' | C5' | C4' | 59.1° | 60.0° |
C1' | C6' | C5' | H6'1 | 120.0° | 120.0° |
C1' | C6' | C5' | H6'2 | 119.7° | 119.9° |
C1' | C6' | C5' | H5'1 | 60.9° | 60.0° |
C1' | C6' | C5' | H5'2 | 178.5° | 180.0° |
C1' | C6' | H6'1 | H6'2 | 119.7° | 120.0° |
H1' | C1' | C2' | C3' | 64.5° | 60.0° |
H1' | C1' | C2' | H2'1 | 55.5° | 60.0° |
H1' | C1' | C2' | H2'2 | 176.5° | 180.0° |
H1' | C1' | C6' | C5' | 61.4° | 60.0° |
H1' | C1' | C6' | H6'1 | 178.6° | NaN° |
H1' | C1' | C6' | H6'2 | 58.2° | 60.0° |
C3' | C2' | H2'1 | H2'2 | 119.1° | 120.0° |
C2' | C3' | C4' | H3'1 | 120.0° | 120.0° |
C2' | C3' | C4' | H3'2 | 119.7° | 120.0° |
C2' | C3' | H3'1 | H3'2 | 119.7° | 120.0° |
C2' | C3' | C4' | C5' | 56.8° | 60.0° |
C2' | C3' | C4' | H4'1 | 176.8° | 180.0° |
C2' | C3' | C4' | H4'2 | 63.1° | 60.0° |
H2'1 | C2' | C3' | C4' | 177.5° | 180.0° |
H2'1 | C2' | C3' | H3'1 | 57.5° | 60.0° |
H2'1 | C2' | C3' | H3'2 | 62.8° | 60.0° |
H2'2 | C2' | C3' | C4' | 61.5° | 60.0° |
H2'2 | C2' | C3' | H3'1 | 178.5° | 180.0° |
H2'2 | C2' | C3' | H3'2 | 58.2° | 60.0° |
C4' | C3' | H3'1 | H3'2 | 119.7° | 120.0° |
C3' | C4' | C5' | H4'1 | 120.0° | 120.0° |
C3' | C4' | C5' | H4'2 | 119.9° | 120.1° |
C3' | C4' | H4'1 | H4'2 | 119.9° | 120.0° |
C3' | C4' | C5' | C6' | 58.3° | 60.0° |
C3' | C4' | C5' | H5'1 | 61.7° | 60.0° |
C3' | C4' | C5' | H5'2 | 177.7° | 180.0° |
H3'1 | C3' | C4' | C5' | 63.2° | 60.0° |
H3'1 | C3' | C4' | H4'1 | 56.8° | 60.0° |
H3'1 | C3' | C4' | H4'2 | 176.9° | 180.0° |
H3'2 | C3' | C4' | C5' | 176.6° | 180.0° |
H3'2 | C3' | C4' | H4'1 | 63.4° | 60.0° |
H3'2 | C3' | C4' | H4'2 | 56.7° | 60.0° |
C5' | C4' | H4'1 | H4'2 | 119.9° | 120.0° |
C4' | C5' | C6' | H5'1 | 120.0° | 120.0° |
C4' | C5' | C6' | H5'2 | 119.4° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 119.4° | 120.0° |
C4' | C5' | C6' | H6'1 | 60.9° | 60.0° |
C4' | C5' | C6' | H6'2 | 178.8° | 180.0° |
H4'1 | C4' | C5' | C6' | 178.2° | 180.0° |
H4'1 | C4' | C5' | H5'1 | 58.2° | 60.0° |
H4'1 | C4' | C5' | H5'2 | 62.4° | 60.0° |
H4'2 | C4' | C5' | C6' | 61.7° | 60.0° |
H4'2 | C4' | C5' | H5'1 | 178.3° | 179.9° |
H4'2 | C4' | C5' | H5'2 | 57.7° | 60.0° |
C6' | C5' | H5'1 | H5'2 | 119.4° | 120.1° |
C5' | C6' | H6'1 | H6'2 | 119.7° | 120.0° |
H5'1 | C5' | C6' | H6'1 | 179.2° | 180.0° |
H5'1 | C5' | C6' | H6'2 | 58.8° | 60.0° |
H5'2 | C5' | C6' | H6'1 | 58.5° | 60.0° |
H5'2 | C5' | C6' | H6'2 | 61.8° | 60.1° |
HO1 | O11 | C11 | C32 | 151.7° | 180.0° |
C22 | N11 | C5 | CM1 | 172.0° | 179.7° |
N11 | C22 | O21 | C32 | 172.2° | 180.0° |
N11 | C22 | C32 | C41 | 5.5° | 16.3° |
N11 | C22 | C32 | H321 | 116.5° | 102.6° |
C22 | N11 | C5 | C41 | 4.9° | 17.1° |
C22 | N11 | C5 | CM2 | 114.6° | 136.0° |
C22 | N11 | C5 | CM3 | 125.3° | 102.0° |
C22 | N11 | CM1 | HM11 | 173.8° | 0.0° |
C22 | N11 | CM1 | HM12 | 53.8° | 120.1° |
C22 | N11 | CM1 | HM13 | 66.3° | 120.0° |
N11 | C22 | C32 | C11 | 128.3° | 134.9° |
C5 | N11 | C22 | O21 | 180.0° | 179.6° |
C5 | N11 | C22 | C32 | 7.0° | 0.4° |
N11 | C5 | C41 | C32 | 1.1° | 25.5° |
N11 | C5 | C41 | CM2 | 113.0° | 119.0° |
N11 | C5 | C41 | CM3 | 122.9° | 119.0° |
N11 | C5 | C41 | H41 | 121.1° | 92.7° |
N11 | C5 | C41 | H42 | 119.7° | 143.6° |
N11 | C5 | CM2 | CM3 | 122.7° | 122.0° |
C5 | N11 | CM1 | HM11 | 14.9° | 179.7° |
C5 | N11 | CM1 | HM12 | 134.9° | 60.3° |
C5 | N11 | CM1 | HM13 | 105.0° | 59.7° |
N11 | C5 | CM2 | HM21 | 103.5° | 58.5° |
N11 | C5 | CM2 | HM22 | 136.5° | 178.6° |
N11 | C5 | CM2 | HM23 | 16.5° | 61.5° |
N11 | C5 | CM3 | HM31 | 157.4° | 61.4° |
N11 | C5 | CM3 | HM32 | 37.4° | 178.6° |
N11 | C5 | CM3 | HM33 | 82.6° | 58.5° |
CM1 | N11 | C22 | O21 | 8.2° | 0.1° |
CM1 | N11 | C22 | C32 | 178.8° | 179.9° |
CM1 | N11 | C5 | C41 | 176.9° | 163.2° |
CM1 | N11 | C5 | CM2 | 57.4° | 44.3° |
CM1 | N11 | C5 | CM3 | 62.6° | 77.8° |
N11 | CM1 | HM11 | HM12 | 120.0° | 120.0° |
N11 | CM1 | HM11 | HM13 | 119.9° | 120.0° |
N11 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
O21 | C22 | C32 | C41 | 178.5° | 163.7° |
O21 | C22 | C32 | H321 | 56.5° | 77.4° |
O21 | C22 | C32 | C11 | 58.6° | 45.1° |
C22 | C32 | C41 | H321 | 122.9° | 118.8° |
C22 | C32 | C41 | C11 | 122.0° | 118.7° |
C22 | C32 | H321 | C11 | 122.0° | 122.5° |
C22 | C32 | C41 | C5 | 2.4° | 24.8° |
C22 | C32 | C41 | H41 | 117.7° | 93.3° |
C22 | C32 | C41 | H42 | 123.3° | 142.9° |
C41 | C32 | H321 | C11 | 122.9° | 122.6° |
C32 | C41 | C5 | H41 | 120.0° | 118.1° |
C32 | C41 | C5 | H42 | 120.9° | 118.1° |
C32 | C41 | H41 | H42 | 120.9° | 123.8° |
C32 | C41 | C5 | CM2 | 111.8° | 144.4° |
C32 | C41 | C5 | CM3 | 124.0° | 93.6° |
H321 | C32 | C41 | C5 | 120.5° | 93.9° |
H321 | C32 | C41 | H41 | 119.4° | 147.9° |
H321 | C32 | C41 | H42 | 0.4° | 24.2° |
C5 | C41 | H41 | H42 | 120.9° | 123.8° |
C41 | C5 | CM2 | CM3 | 124.3° | 122.0° |
C41 | C5 | CM2 | HM21 | 9.6° | 57.5° |
C41 | C5 | CM2 | HM22 | 110.4° | 62.5° |
C41 | C5 | CM2 | HM23 | 129.6° | 177.5° |
C41 | C5 | CM3 | HM31 | 40.3° | 177.5° |
C41 | C5 | CM3 | HM32 | 79.7° | 62.5° |
C41 | C5 | CM3 | HM33 | 160.4° | 57.5° |
C5 | C41 | C32 | C11 | 124.3° | 143.5° |
H41 | C41 | C5 | CM2 | 8.2° | 26.3° |
H41 | C41 | C5 | CM3 | 116.0° | 148.3° |
H41 | C41 | C32 | C11 | 4.3° | 25.4° |
H42 | C41 | C5 | CM2 | 127.3° | 97.5° |
H42 | C41 | C5 | CM3 | 3.1° | 24.5° |
H42 | C41 | C32 | C11 | 114.8° | 98.4° |
C5 | CM2 | HM21 | HM22 | 120.0° | 120.0° |
C5 | CM2 | HM21 | HM23 | 120.0° | 120.0° |
C5 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
CM2 | C5 | CM3 | HM31 | 85.9° | 60.6° |
CM2 | C5 | CM3 | HM32 | 154.2° | 59.4° |
CM2 | C5 | CM3 | HM33 | 34.2° | 179.5° |
CM3 | C5 | CM2 | HM21 | 133.8° | 179.5° |
CM3 | C5 | CM2 | HM22 | 13.9° | 59.4° |
CM3 | C5 | CM2 | HM23 | 106.2° | 60.6° |
C5 | CM3 | HM31 | HM32 | 120.0° | 120.1° |
C5 | CM3 | HM31 | HM33 | 120.0° | 120.0° |
C5 | CM3 | HM32 | HM33 | 120.0° | 120.1° |
HM11 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
HM31 | CM3 | HM32 | HM33 | 120.0° | 119.9° |