PRD_000410
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.53Å | |
N | H | sing | 1.01Å | 1.00Å | |
CA | C | sing | 1.51Å | 1.50Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.23Å | |
CB | CG | sing | 1.53Å | 1.47Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | C1 | sing | 1.51Å | 1.50Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CG | HG3 | sing | 1.09Å | 1.10Å | |
C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
C2 | HC2 | sing | 1.08Å | 1.08Å | |
C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C3 | C4 | doub | 1.38Å | 1.34Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
N1 | CA1 | sing | 1.46Å | 1.50Å | |
N1 | CD | sing | 1.46Å | 1.45Å | |
CA1 | C7 | sing | 1.51Å | 1.52Å | |
CA1 | CB1 | sing | 1.53Å | 1.50Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
C7 | O1 | doub | 1.21Å | 1.25Å | |
CB1 | CG1 | sing | 1.54Å | 1.49Å | |
CB1 | HB21 | sing | 1.09Å | 1.10Å | |
CB1 | HB31 | sing | 1.09Å | 1.10Å | |
CG1 | CD | sing | 1.53Å | 1.51Å | |
CG1 | HG21 | sing | 1.09Å | 1.10Å | |
CG1 | HG31 | sing | 1.09Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
N2 | CA2 | sing | 1.48Å | 1.45Å | |
N2 | H1 | sing | 0.97Å | 1.00Å | |
CA2 | C8 | sing | 1.51Å | 1.56Å | |
CA2 | CB2 | sing | 1.53Å | 1.52Å | |
CA2 | HA2 | sing | 1.09Å | 1.10Å | |
C8 | O2 | doub | 1.21Å | 1.37Å | |
CB2 | CG2 | sing | 1.53Å | 1.48Å | |
CB2 | HB22 | sing | 1.09Å | 1.10Å | |
CB2 | HB32 | sing | 1.09Å | 1.10Å | |
CG2 | CD1 | sing | 1.53Å | 1.49Å | |
CG2 | HG22 | sing | 1.09Å | 1.10Å | |
CG2 | HG32 | sing | 1.09Å | 1.10Å | |
CD1 | NE | sing | 1.46Å | 1.43Å | |
CD1 | HD21 | sing | 1.09Å | 1.10Å | |
CD1 | HD31 | sing | 1.09Å | 1.10Å | |
NE | CZ | sing | 1.37Å | 1.28Å | |
NE | HE | sing | 0.97Å | 1.00Å | |
CZ | NH1 | sing | 1.33Å | 1.37Å | |
CZ | NH2 | doub | 1.33Å | 1.34Å | |
NH1 | HH11 | sing | 0.97Å | 1.00Å | |
NH1 | HH12 | sing | 0.97Å | 1.00Å | |
NH2 | HH21 | sing | 0.97Å | 1.00Å | |
NH2 | HH22 | sing | 0.97Å | 1.00Å | |
N3 | C9 | sing | 1.47Å | 1.48Å | |
N3 | C11 | sing | 1.47Å | 1.46Å | |
N3 | HN | sing | 1.01Å | 1.00Å | |
C9 | O3 | sing | 1.43Å | 1.21Å | |
C9 | H11 | sing | 1.09Å | 1.10Å | |
O3 | HO | sing | 0.97Å | 0.95Å | |
C11 | C21 | sing | 1.53Å | 1.53Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C21 | C31 | sing | 1.53Å | 1.54Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H22 | sing | 1.09Å | 1.10Å | |
C31 | C41 | sing | 1.53Å | 1.57Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C31 | H32 | sing | 1.09Å | 1.10Å | |
C41 | C51 | sing | 1.53Å | 1.57Å | |
C41 | H41 | sing | 1.09Å | 1.10Å | |
C41 | H42 | sing | 1.09Å | 1.10Å | |
C51 | C61 | sing | 1.53Å | 1.54Å | |
C51 | H51 | sing | 1.09Å | 1.10Å | |
C51 | H52 | sing | 1.09Å | 1.10Å | |
C61 | C71 | sing | 1.53Å | 1.52Å | |
C61 | H61 | sing | 1.09Å | 1.10Å | |
C61 | H62 | sing | 1.09Å | 1.10Å | |
C71 | C81 | sing | 1.53Å | 1.46Å | |
C71 | H71 | sing | 1.09Å | 1.10Å | |
C71 | H72 | sing | 1.09Å | 1.10Å | |
C81 | O8 | sing | 1.43Å | 1.26Å | |
C81 | H81 | sing | 1.09Å | 1.10Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C | N1 | sing | 1.35Å | 1.30Å | |
C7 | N2 | sing | 1.37Å | 1.35Å | |
C8 | C9 | sing | 1.51Å | 1.62Å | |
C81 | N | sing | 1.47Å | 1.36Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 104.7° | 111.0° |
N | CA | C | 105.2° | 109.5° |
N | CA | CB | 93.6° | 109.5° |
N | CA | HA | 128.9° | 109.4° |
CA | N | C81 | 124.6° | 111.0° |
H | N | C81 | 104.7° | 111.0° |
C | CA | CB | 126.6° | 109.5° |
C | CA | HA | 97.6° | 109.5° |
CA | C | O | 115.6° | 120.1° |
CA | C | N1 | 120.7° | 119.9° |
CB | CA | HA | 108.5° | 109.5° |
CA | CB | CG | 114.7° | 109.5° |
CA | CB | HB2 | 107.7° | 109.5° |
CA | CB | HB3 | 107.8° | 109.5° |
O | C | N1 | 123.7° | 120.0° |
CG | CB | HB2 | 107.8° | 109.5° |
CG | CB | HB3 | 107.7° | 109.4° |
CB | CG | C1 | 123.9° | 109.5° |
CB | CG | HG2 | 104.9° | 109.5° |
CB | CG | HG3 | 104.9° | 109.4° |
HB2 | CB | HB3 | 111.1° | 109.5° |
C1 | CG | HG2 | 104.9° | 109.5° |
C1 | CG | HG3 | 104.9° | 109.5° |
CG | C1 | C2 | 125.1° | 120.0° |
CG | C1 | C6 | 120.7° | 120.0° |
HG2 | CG | HG3 | 113.6° | 109.5° |
C2 | C1 | C6 | 114.2° | 120.0° |
C1 | C2 | C3 | 121.1° | 120.0° |
C1 | C2 | HC2 | 119.5° | 119.9° |
C1 | C6 | C5 | 125.7° | 120.0° |
C1 | C6 | H6 | 117.2° | 120.0° |
C3 | C2 | HC2 | 119.5° | 120.0° |
C2 | C3 | C4 | 122.3° | 120.0° |
C2 | C3 | H3 | 118.9° | 120.0° |
C5 | C6 | H6 | 117.2° | 120.0° |
C6 | C5 | C4 | 117.1° | 120.0° |
C6 | C5 | H5 | 121.5° | 120.0° |
C4 | C3 | H3 | 118.8° | 120.0° |
C3 | C4 | C5 | 119.6° | 120.0° |
C3 | C4 | H4 | 120.2° | 120.0° |
C4 | C5 | H5 | 121.5° | 120.0° |
C5 | C4 | H4 | 120.2° | 120.0° |
CA1 | N1 | CD | 113.0° | 109.3° |
N1 | CA1 | C7 | 114.4° | 109.7° |
N1 | CA1 | CB1 | 105.0° | 108.1° |
N1 | CA1 | HA1 | 111.0° | 109.8° |
CA1 | N1 | C | 120.0° | 125.3° |
N1 | CD | CG1 | 104.5° | 107.7° |
N1 | CD | HD2 | 111.2° | 109.9° |
N1 | CD | HD3 | 111.2° | 109.9° |
CD | N1 | C | 126.9° | 125.4° |
C7 | CA1 | CB1 | 114.2° | 109.8° |
C7 | CA1 | HA1 | 101.2° | 109.6° |
CA1 | C7 | O1 | 116.1° | 120.7° |
CA1 | C7 | N2 | 122.0° | 118.7° |
CB1 | CA1 | HA1 | 111.2° | 109.9° |
CA1 | CB1 | CG1 | 107.8° | 106.4° |
CA1 | CB1 | HB21 | 110.0° | 110.1° |
CA1 | CB1 | HB31 | 110.1° | 110.1° |
O1 | C7 | N2 | 121.8° | 120.7° |
CG1 | CB1 | HB21 | 110.1° | 110.1° |
CG1 | CB1 | HB31 | 110.0° | 110.1° |
CB1 | CG1 | CD | 109.7° | 105.0° |
CB1 | CG1 | HG21 | 109.4° | 110.3° |
CB1 | CG1 | HG31 | 109.4° | 110.3° |
HB21 | CB1 | HB31 | 108.9° | 110.0° |
CD | CG1 | HG21 | 109.4° | 110.3° |
CD | CG1 | HG31 | 109.4° | 110.3° |
CG1 | CD | HD2 | 111.2° | 109.8° |
CG1 | CD | HD3 | 111.2° | 109.8° |
HG21 | CG1 | HG31 | 109.5° | 110.5° |
HD2 | CD | HD3 | 107.7° | 109.8° |
CA2 | N2 | H1 | 115.9° | 122.6° |
N2 | CA2 | C8 | 119.3° | 108.6° |
N2 | CA2 | CB2 | 111.8° | 109.6° |
N2 | CA2 | HA2 | 99.6° | 109.6° |
CA2 | N2 | C7 | 128.3° | 114.9° |
H1 | N2 | C7 | 115.8° | 122.6° |
C8 | CA2 | CB2 | 106.7° | 109.6° |
C8 | CA2 | HA2 | 105.5° | 109.6° |
CA2 | C8 | O2 | 121.2° | 120.0° |
CA2 | C8 | C9 | 105.3° | 119.9° |
CB2 | CA2 | HA2 | 114.0° | 109.7° |
CA2 | CB2 | CG2 | 116.0° | 109.5° |
CA2 | CB2 | HB22 | 107.4° | 109.4° |
CA2 | CB2 | HB32 | 107.4° | 109.4° |
O2 | C8 | C9 | 107.1° | 120.0° |
CG2 | CB2 | HB22 | 107.4° | 109.5° |
CG2 | CB2 | HB32 | 107.3° | 109.5° |
CB2 | CG2 | CD1 | 113.0° | 109.5° |
CB2 | CG2 | HG22 | 108.3° | 109.5° |
CB2 | CG2 | HG32 | 108.3° | 109.5° |
HB22 | CB2 | HB32 | 111.5° | 109.5° |
CD1 | CG2 | HG22 | 108.3° | 109.4° |
CD1 | CG2 | HG32 | 108.3° | 109.5° |
CG2 | CD1 | NE | 106.2° | 109.5° |
CG2 | CD1 | HD21 | 110.5° | 109.4° |
CG2 | CD1 | HD31 | 110.6° | 109.5° |
HG22 | CG2 | HG32 | 110.6° | 109.5° |
NE | CD1 | HD21 | 110.6° | 109.5° |
NE | CD1 | HD31 | 110.6° | 109.5° |
CD1 | NE | CZ | 128.8° | 120.0° |
CD1 | NE | HE | 115.6° | 120.0° |
HD21 | CD1 | HD31 | 108.4° | 109.4° |
CZ | NE | HE | 115.6° | 120.0° |
NE | CZ | NH1 | 114.5° | 120.0° |
NE | CZ | NH2 | 126.0° | 120.0° |
NH1 | CZ | NH2 | 119.4° | 120.0° |
CZ | NH1 | HH11 | 120.0° | 120.1° |
CZ | NH1 | HH12 | 120.0° | 120.0° |
CZ | NH2 | HH21 | 120.0° | 120.0° |
CZ | NH2 | HH22 | 120.0° | 120.0° |
HH11 | NH1 | HH12 | 120.0° | 120.0° |
HH21 | NH2 | HH22 | 120.0° | 120.0° |
C9 | N3 | C11 | 116.0° | 111.0° |
C9 | N3 | HN | 107.3° | 111.0° |
N3 | C9 | O3 | 107.5° | 109.5° |
N3 | C9 | H11 | 69.1° | 109.4° |
N3 | C9 | C8 | 165.1° | 109.4° |
C11 | N3 | HN | 107.3° | 111.1° |
N3 | C11 | C21 | 119.2° | 109.4° |
N3 | C11 | H111 | 106.4° | 109.5° |
N3 | C11 | H12 | 106.4° | 109.5° |
O3 | C9 | H11 | 176.5° | 109.5° |
C9 | O3 | HO | 109.5° | 114.0° |
O3 | C9 | C8 | 87.4° | 109.5° |
H11 | C9 | C8 | 96.0° | 109.5° |
C21 | C11 | H111 | 106.4° | 109.5° |
C21 | C11 | H12 | 106.4° | 109.5° |
C11 | C21 | C31 | 126.7° | 109.4° |
C11 | C21 | H21 | 104.1° | 109.5° |
C11 | C21 | H22 | 104.1° | 109.4° |
H111 | C11 | H12 | 112.4° | 109.5° |
C31 | C21 | H21 | 104.1° | 109.5° |
C31 | C21 | H22 | 104.1° | 109.5° |
C21 | C31 | C41 | 119.1° | 109.4° |
C21 | C31 | H31 | 106.4° | 109.4° |
C21 | C31 | H32 | 106.4° | 109.5° |
H21 | C21 | H22 | 114.3° | 109.5° |
C41 | C31 | H31 | 106.4° | 109.5° |
C41 | C31 | H32 | 106.4° | 109.5° |
C31 | C41 | C51 | 121.5° | 109.4° |
C31 | C41 | H41 | 105.6° | 109.4° |
C31 | C41 | H42 | 105.6° | 109.5° |
H31 | C31 | H32 | 112.3° | 109.5° |
C51 | C41 | H41 | 105.6° | 109.5° |
C51 | C41 | H42 | 105.6° | 109.5° |
C41 | C51 | C61 | 118.8° | 109.5° |
C41 | C51 | H51 | 106.5° | 109.5° |
C41 | C51 | H52 | 106.5° | 109.5° |
H41 | C41 | H42 | 113.0° | 109.5° |
C61 | C51 | H51 | 106.5° | 109.5° |
C61 | C51 | H52 | 106.5° | 109.5° |
C51 | C61 | C71 | 133.2° | 109.4° |
C51 | C61 | H61 | 102.2° | 109.5° |
C51 | C61 | H62 | 102.2° | 109.4° |
H51 | C51 | H52 | 112.3° | 109.4° |
C71 | C61 | H61 | 102.2° | 109.5° |
C71 | C61 | H62 | 102.2° | 109.5° |
C61 | C71 | C81 | 123.1° | 109.5° |
C61 | C71 | H71 | 105.1° | 109.5° |
C61 | C71 | H72 | 105.1° | 109.5° |
H61 | C61 | H62 | 115.7° | 109.5° |
C81 | C71 | H71 | 105.2° | 109.5° |
C81 | C71 | H72 | 105.2° | 109.5° |
C71 | C81 | O8 | 123.9° | 109.5° |
C71 | C81 | H81 | 106.1° | 109.5° |
C71 | C81 | N | 114.5° | 109.5° |
H71 | C71 | H72 | 113.4° | 109.4° |
O8 | C81 | H81 | 34.8° | 109.5° |
C81 | O8 | HO8 | 109.5° | 114.0° |
O8 | C81 | N | 121.5° | 109.4° |
H81 | C81 | N | 129.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | C81 | 132.5° | 124.0° |
N | CA | C | CB | 106.4° | 120.0° |
N | CA | C | HA | 133.8° | 119.9° |
N | CA | CB | HA | 133.1° | 120.0° |
N | CA | C | O | 71.5° | 18.0° |
N | CA | CB | CG | 140.1° | 57.1° |
N | CA | CB | HB2 | 99.9° | 177.1° |
N | CA | CB | HB3 | 20.1° | 62.9° |
CA | N | C81 | C71 | 176.3° | 161.7° |
CA | N | C81 | O8 | 0.5° | 41.7° |
CA | N | C81 | H81 | 42.5° | 78.2° |
N | CA | C | N1 | 105.5° | 162.0° |
H | N | CA | C | 116.3° | 113.1° |
H | N | CA | CB | 13.2° | 7.0° |
H | N | CA | HA | 130.5° | 127.0° |
H | N | C81 | C71 | 63.7° | 74.3° |
H | N | C81 | O8 | 119.4° | 165.7° |
H | N | C81 | H81 | 77.5° | 45.7° |
C | CA | CB | HA | 114.9° | 120.0° |
CA | C | O | N1 | 176.8° | 180.0° |
C | CA | CB | CG | 108.0° | 177.1° |
C | CA | CB | HB2 | 12.0° | 62.9° |
C | CA | CB | HB3 | 132.0° | 57.1° |
CA | C | N1 | CA1 | 178.2° | 179.6° |
CA | C | N1 | CD | 3.2° | 0.1° |
C | CA | N | C81 | 123.8° | 122.9° |
CB | CA | C | O | 34.9° | 138.1° |
CA | CB | CG | HB2 | 120.0° | 120.1° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 117.9° | 120.0° |
CA | CB | CG | C1 | 4.8° | 180.0° |
CA | CB | CG | HG2 | 115.2° | 59.9° |
CA | CB | CG | HG3 | 124.8° | 60.0° |
CB | CA | C | N1 | 148.2° | 42.0° |
CB | CA | N | C81 | 106.7° | 117.0° |
HA | CA | C | O | 154.7° | 101.9° |
HA | CA | CB | CG | 6.9° | 62.9° |
HA | CA | CB | HB2 | 126.9° | 57.2° |
HA | CA | CB | HB3 | 113.0° | 177.1° |
HA | CA | C | N1 | 28.3° | 78.1° |
HA | CA | N | C81 | 10.5° | 3.0° |
O | C | N1 | CA1 | 5.1° | 0.4° |
O | C | N1 | CD | 173.5° | 179.8° |
CG | CB | HB2 | HB3 | 117.9° | 119.9° |
CB | CG | C1 | HG2 | 120.0° | 120.0° |
CB | CG | C1 | HG3 | 120.0° | 119.9° |
CB | CG | HG2 | HG3 | 114.0° | 119.9° |
CB | CG | C1 | C2 | 72.2° | 90.0° |
CB | CG | C1 | C6 | 108.4° | 90.3° |
HB2 | CB | CG | C1 | 124.8° | 60.0° |
HB2 | CB | CG | HG2 | 4.8° | 180.0° |
HB2 | CB | CG | HG3 | 115.2° | 60.0° |
HB3 | CB | CG | C1 | 115.2° | 60.0° |
HB3 | CB | CG | HG2 | 124.8° | 60.0° |
HB3 | CB | CG | HG3 | 4.8° | 180.0° |
C1 | CG | HG2 | HG3 | 114.0° | 120.0° |
CG | C1 | C2 | C6 | 179.4° | 179.7° |
CG | C1 | C2 | C3 | 178.7° | 180.0° |
CG | C1 | C2 | HC2 | 1.3° | 0.0° |
CG | C1 | C6 | C5 | 176.6° | 180.0° |
CG | C1 | C6 | H6 | 3.4° | 0.0° |
HG2 | CG | C1 | C2 | 167.7° | 30.0° |
HG2 | CG | C1 | C6 | 11.6° | 149.7° |
HG3 | CG | C1 | C2 | 47.7° | 150.0° |
HG3 | CG | C1 | C6 | 131.6° | 29.7° |
C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
C2 | C1 | C6 | C5 | 2.8° | 0.3° |
C2 | C1 | C6 | H6 | 177.2° | 179.7° |
C1 | C2 | C3 | C4 | 0.9° | 0.0° |
C1 | C2 | C3 | H3 | 179.1° | 180.0° |
C6 | C1 | C2 | C3 | 0.7° | 0.3° |
C6 | C1 | C2 | HC2 | 179.3° | 179.7° |
C1 | C6 | C5 | H6 | 180.0° | 180.0° |
C1 | C6 | C5 | C4 | 3.3° | 0.0° |
C1 | C6 | C5 | H5 | 176.7° | 180.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.4° | 0.2° |
C2 | C3 | C4 | H4 | 179.6° | 180.0° |
HC2 | C2 | C3 | C4 | 179.2° | 180.0° |
HC2 | C2 | C3 | H3 | 0.8° | 0.0° |
C6 | C5 | C4 | C3 | 1.5° | 0.2° |
C6 | C5 | C4 | H5 | 180.0° | 180.0° |
C6 | C5 | C4 | H4 | 178.5° | 180.0° |
H6 | C6 | C5 | C4 | 176.8° | 180.0° |
H6 | C6 | C5 | H5 | 3.2° | 0.0° |
C3 | C4 | C5 | H4 | 180.0° | 179.8° |
C3 | C4 | C5 | H5 | 178.5° | 179.8° |
H3 | C3 | C4 | C5 | 179.6° | 179.8° |
H3 | C3 | C4 | H4 | 0.4° | 0.0° |
H5 | C5 | C4 | H4 | 1.5° | 0.0° |
CA1 | N1 | CD | C | 178.7° | 179.8° |
N1 | CA1 | C7 | CB1 | 121.1° | 118.6° |
N1 | CA1 | C7 | HA1 | 119.4° | 120.6° |
N1 | CA1 | CB1 | HA1 | 120.1° | 119.8° |
N1 | CA1 | C7 | O1 | 33.7° | 54.8° |
N1 | CA1 | CB1 | CG1 | 0.7° | 1.8° |
N1 | CA1 | CB1 | HB21 | 119.3° | 121.1° |
N1 | CA1 | CB1 | HB31 | 120.7° | 117.5° |
CA1 | N1 | CD | CG1 | 1.1° | 18.0° |
CA1 | N1 | CD | HD2 | 118.9° | 101.6° |
CA1 | N1 | CD | HD3 | 121.1° | 137.5° |
N1 | CA1 | C7 | N2 | 143.8° | 125.3° |
CD | N1 | CA1 | C7 | 127.3° | 129.7° |
CD | N1 | CA1 | CB1 | 1.2° | 10.1° |
CD | N1 | CA1 | HA1 | 119.1° | 109.9° |
N1 | CD | CG1 | CB1 | 0.6° | 18.5° |
N1 | CD | CG1 | HD2 | 120.0° | 119.6° |
N1 | CD | CG1 | HD3 | 120.0° | 119.6° |
N1 | CD | CG1 | HG21 | 119.4° | 100.4° |
N1 | CD | CG1 | HG31 | 120.6° | 137.3° |
N1 | CD | HD2 | HD3 | 122.0° | 120.9° |
C7 | CA1 | CB1 | HA1 | 113.7° | 120.6° |
CA1 | C7 | O1 | N2 | 177.5° | 180.0° |
C7 | CA1 | CB1 | CG1 | 126.9° | 117.8° |
C7 | CA1 | CB1 | HB21 | 6.9° | 1.5° |
C7 | CA1 | CB1 | HB31 | 113.1° | 122.9° |
CA1 | C7 | N2 | CA2 | 176.1° | 179.5° |
CA1 | C7 | N2 | H1 | 3.9° | 0.5° |
C7 | CA1 | N1 | C | 51.5° | 50.5° |
CB1 | CA1 | C7 | O1 | 87.4° | 63.9° |
CA1 | CB1 | CG1 | HB21 | 120.0° | 119.3° |
CA1 | CB1 | CG1 | HB31 | 120.0° | 119.3° |
CA1 | CB1 | HB21 | HB31 | 120.7° | 121.5° |
CA1 | CB1 | CG1 | CD | 0.1° | 12.1° |
CA1 | CB1 | CG1 | HG21 | 120.1° | 106.7° |
CA1 | CB1 | CG1 | HG31 | 119.9° | 131.0° |
CB1 | CA1 | N1 | C | 177.6° | 170.1° |
CB1 | CA1 | C7 | N2 | 95.1° | 116.1° |
HA1 | CA1 | C7 | O1 | 153.1° | 175.3° |
HA1 | CA1 | CB1 | CG1 | 119.4° | 121.6° |
HA1 | CA1 | CB1 | HB21 | 120.6° | 119.1° |
HA1 | CA1 | CB1 | HB31 | 0.6° | 2.4° |
HA1 | CA1 | N1 | C | 62.1° | 69.9° |
HA1 | CA1 | C7 | N2 | 24.4° | 4.7° |
O1 | C7 | N2 | CA2 | 6.5° | 0.4° |
O1 | C7 | N2 | H1 | 173.5° | 179.5° |
CG1 | CB1 | HB21 | HB31 | 120.7° | 121.5° |
CB1 | CG1 | CD | HG21 | 120.0° | 118.8° |
CB1 | CG1 | CD | HG31 | 120.0° | 118.9° |
CB1 | CG1 | HG21 | HG31 | 119.9° | 122.2° |
CB1 | CG1 | CD | HD2 | 119.5° | 101.2° |
CB1 | CG1 | CD | HD3 | 120.5° | 138.1° |
HB21 | CB1 | CG1 | CD | 119.9° | 131.4° |
HB21 | CB1 | CG1 | HG21 | 0.1° | 12.6° |
HB21 | CB1 | CG1 | HG31 | 120.1° | 109.7° |
HB31 | CB1 | CG1 | CD | 120.1° | 107.1° |
HB31 | CB1 | CG1 | HG21 | 119.9° | 134.0° |
HB31 | CB1 | CG1 | HG31 | 0.1° | 11.8° |
CD | CG1 | HG21 | HG31 | 119.9° | 122.3° |
CG1 | CD | HD2 | HD3 | 122.0° | 120.8° |
CG1 | CD | N1 | C | 177.6° | 162.2° |
HG21 | CG1 | CD | HD2 | 120.6° | 140.0° |
HG21 | CG1 | CD | HD3 | 0.6° | 19.2° |
HG31 | CG1 | CD | HD2 | 0.5° | 17.7° |
HG31 | CG1 | CD | HD3 | 119.5° | 103.1° |
HD2 | CD | N1 | C | 62.4° | 78.2° |
HD3 | CD | N1 | C | 57.6° | 42.7° |
CA2 | N2 | H1 | C7 | 180.0° | 179.9° |
N2 | CA2 | C8 | CB2 | 127.7° | 119.8° |
N2 | CA2 | C8 | HA2 | 110.7° | 119.7° |
N2 | CA2 | CB2 | HA2 | 112.0° | 120.5° |
N2 | CA2 | C8 | O2 | 168.5° | 2.0° |
N2 | CA2 | CB2 | CG2 | 80.0° | 168.3° |
N2 | CA2 | CB2 | HB22 | 40.0° | 48.3° |
N2 | CA2 | CB2 | HB32 | 160.0° | 71.7° |
N2 | CA2 | C8 | C9 | 47.1° | 177.9° |
H1 | N2 | CA2 | C8 | 76.4° | 68.1° |
H1 | N2 | CA2 | CB2 | 48.9° | 172.2° |
H1 | N2 | CA2 | HA2 | 169.7° | 51.6° |
C8 | CA2 | CB2 | HA2 | 116.0° | 120.4° |
CA2 | C8 | O2 | C9 | 120.5° | 179.9° |
C8 | CA2 | CB2 | CG2 | 148.0° | 72.6° |
C8 | CA2 | CB2 | HB22 | 92.0° | 167.4° |
C8 | CA2 | CB2 | HB32 | 28.0° | 47.4° |
CA2 | C8 | C9 | N3 | 75.0° | 171.0° |
CA2 | C8 | C9 | O3 | 104.0° | 51.0° |
CA2 | C8 | C9 | H11 | 76.3° | 69.0° |
C8 | CA2 | N2 | C7 | 103.6° | 111.9° |
CB2 | CA2 | C8 | O2 | 63.9° | 121.8° |
CA2 | CB2 | CG2 | HB22 | 120.0° | 119.9° |
CA2 | CB2 | CG2 | HB32 | 120.0° | 120.0° |
CA2 | CB2 | HB22 | HB32 | 117.3° | 120.0° |
CA2 | CB2 | CG2 | CD1 | 173.5° | 175.4° |
CA2 | CB2 | CG2 | HG22 | 66.5° | 55.4° |
CA2 | CB2 | CG2 | HG32 | 53.5° | 64.6° |
CB2 | CA2 | N2 | C7 | 131.1° | 7.9° |
CB2 | CA2 | C8 | C9 | 174.8° | 58.1° |
HA2 | CA2 | C8 | O2 | 57.7° | 117.7° |
HA2 | CA2 | CB2 | CG2 | 32.0° | 47.8° |
HA2 | CA2 | CB2 | HB22 | 152.0° | 72.2° |
HA2 | CA2 | CB2 | HB32 | 88.0° | 167.8° |
HA2 | CA2 | N2 | C7 | 10.3° | 128.4° |
HA2 | CA2 | C8 | C9 | 63.7° | 62.4° |
O2 | C8 | C9 | N3 | 55.2° | 9.1° |
O2 | C8 | C9 | O3 | 125.8° | 129.1° |
O2 | C8 | C9 | H11 | 53.9° | 110.9° |
CG2 | CB2 | HB22 | HB32 | 117.3° | 120.1° |
CB2 | CG2 | CD1 | HG22 | 120.0° | 120.0° |
CB2 | CG2 | CD1 | HG32 | 120.0° | 120.0° |
CB2 | CG2 | HG22 | HG32 | 118.5° | 120.1° |
CB2 | CG2 | CD1 | NE | 173.7° | 180.0° |
CB2 | CG2 | CD1 | HD21 | 66.3° | 60.0° |
CB2 | CG2 | CD1 | HD31 | 53.7° | 59.9° |
HB22 | CB2 | CG2 | CD1 | 53.5° | 64.7° |
HB22 | CB2 | CG2 | HG22 | 173.5° | 175.4° |
HB22 | CB2 | CG2 | HG32 | 66.5° | 55.3° |
HB32 | CB2 | CG2 | CD1 | 66.5° | 55.4° |
HB32 | CB2 | CG2 | HG22 | 53.5° | 64.5° |
HB32 | CB2 | CG2 | HG32 | 173.5° | 175.4° |
CD1 | CG2 | HG22 | HG32 | 118.6° | 120.0° |
CG2 | CD1 | NE | HD21 | 120.0° | 120.0° |
CG2 | CD1 | NE | HD31 | 120.0° | 120.1° |
CG2 | CD1 | HD21 | HD31 | 121.3° | 119.9° |
CG2 | CD1 | NE | CZ | 172.5° | 180.0° |
CG2 | CD1 | NE | HE | 7.5° | 0.0° |
HG22 | CG2 | CD1 | NE | 53.7° | 60.0° |
HG22 | CG2 | CD1 | HD21 | 173.7° | 180.0° |
HG22 | CG2 | CD1 | HD31 | 66.3° | 60.1° |
HG32 | CG2 | CD1 | NE | 66.3° | 60.0° |
HG32 | CG2 | CD1 | HD21 | 53.7° | 60.1° |
HG32 | CG2 | CD1 | HD31 | 173.7° | 180.0° |
NE | CD1 | HD21 | HD31 | 121.3° | 120.0° |
CD1 | NE | CZ | HE | 180.0° | 180.0° |
CD1 | NE | CZ | NH1 | 0.2° | 0.0° |
CD1 | NE | CZ | NH2 | 175.8° | 180.0° |
HD21 | CD1 | NE | CZ | 52.6° | 60.0° |
HD21 | CD1 | NE | HE | 127.4° | 120.0° |
HD31 | CD1 | NE | CZ | 67.5° | 60.0° |
HD31 | CD1 | NE | HE | 112.5° | 120.0° |
NE | CZ | NH1 | NH2 | 176.3° | 180.0° |
NE | CZ | NH1 | HH11 | 176.3° | 0.0° |
NE | CZ | NH1 | HH12 | 3.7° | 180.0° |
NE | CZ | NH2 | HH21 | 175.8° | 0.0° |
NE | CZ | NH2 | HH22 | 4.1° | 180.0° |
HE | NE | CZ | NH1 | 179.8° | 180.0° |
HE | NE | CZ | NH2 | 4.2° | 0.0° |
CZ | NH1 | HH11 | HH12 | 180.0° | 180.0° |
NH1 | CZ | NH2 | HH21 | 0.0° | 180.0° |
NH1 | CZ | NH2 | HH22 | 180.0° | 0.0° |
NH2 | CZ | NH1 | HH11 | 0.0° | 180.0° |
NH2 | CZ | NH1 | HH12 | 180.0° | 0.0° |
CZ | NH2 | HH21 | HH22 | 179.9° | 180.0° |
C9 | N3 | C11 | HN | 120.0° | 124.0° |
N3 | C9 | O3 | H11 | 5.5° | 120.0° |
N3 | C9 | O3 | C8 | 179.7° | 120.0° |
N3 | C9 | H11 | C8 | 179.6° | 120.0° |
N3 | C9 | O3 | HO | 152.8° | 60.0° |
C9 | N3 | C11 | C21 | 70.7° | 142.9° |
C9 | N3 | C11 | H111 | 49.3° | 97.2° |
C9 | N3 | C11 | H12 | 169.3° | 22.9° |
C11 | N3 | C9 | O3 | 167.4° | 130.1° |
C11 | N3 | C9 | H11 | 12.9° | 10.1° |
N3 | C11 | C21 | H111 | 120.0° | 120.0° |
N3 | C11 | C21 | H12 | 120.0° | 120.0° |
N3 | C11 | H111 | H12 | 116.0° | 120.0° |
N3 | C11 | C21 | C31 | 145.1° | 145.4° |
N3 | C11 | C21 | H21 | 94.9° | 25.4° |
N3 | C11 | C21 | H22 | 25.1° | 94.6° |
C11 | N3 | C9 | C8 | 11.6° | 109.9° |
HN | N3 | C9 | O3 | 72.6° | 105.9° |
HN | N3 | C9 | H11 | 107.0° | 134.1° |
HN | N3 | C11 | C21 | 169.4° | 18.9° |
HN | N3 | C11 | H111 | 70.6° | 138.9° |
HN | N3 | C11 | H12 | 49.4° | 101.1° |
HN | N3 | C9 | C8 | 108.4° | 14.1° |
O3 | C9 | H11 | C8 | 174.7° | 120.0° |
H11 | C9 | O3 | HO | 147.3° | 60.0° |
HO | O3 | C9 | C8 | 27.5° | 180.0° |
C21 | C11 | H111 | H12 | 116.0° | 120.0° |
C11 | C21 | C31 | H21 | 120.0° | 120.0° |
C11 | C21 | C31 | H22 | 120.0° | 119.9° |
C11 | C21 | H21 | H22 | 112.9° | 120.0° |
C11 | C21 | C31 | C41 | 126.9° | 145.3° |
C11 | C21 | C31 | H31 | 113.1° | 94.7° |
C11 | C21 | C31 | H32 | 6.9° | 25.3° |
H111 | C11 | C21 | C31 | 25.1° | 94.6° |
H111 | C11 | C21 | H21 | 145.1° | 145.4° |
H111 | C11 | C21 | H22 | 94.9° | 25.3° |
H12 | C11 | C21 | C31 | 94.9° | 25.4° |
H12 | C11 | C21 | H21 | 25.1° | 94.6° |
H12 | C11 | C21 | H22 | 145.1° | 145.4° |
C31 | C21 | H21 | H22 | 112.9° | 120.1° |
C21 | C31 | C41 | H31 | 120.0° | 119.9° |
C21 | C31 | C41 | H32 | 120.0° | 120.0° |
C21 | C31 | H31 | H32 | 116.1° | 120.0° |
C21 | C31 | C41 | C51 | 140.9° | 144.4° |
C21 | C31 | C41 | H41 | 99.1° | 24.4° |
C21 | C31 | C41 | H42 | 20.9° | 95.6° |
H21 | C21 | C31 | C41 | 6.9° | 25.3° |
H21 | C21 | C31 | H31 | 126.9° | 145.3° |
H21 | C21 | C31 | H32 | 113.1° | 94.7° |
H22 | C21 | C31 | C41 | 113.1° | 94.8° |
H22 | C21 | C31 | H31 | 6.9° | 25.2° |
H22 | C21 | C31 | H32 | 126.9° | 145.2° |
C41 | C31 | H31 | H32 | 116.0° | 120.1° |
C31 | C41 | C51 | H41 | 120.0° | 120.0° |
C31 | C41 | C51 | H42 | 120.0° | 120.0° |
C31 | C41 | H41 | H42 | 115.0° | 120.0° |
C31 | C41 | C51 | C61 | 135.6° | 113.5° |
C31 | C41 | C51 | H51 | 15.6° | 126.5° |
C31 | C41 | C51 | H52 | 104.5° | 6.5° |
H31 | C31 | C41 | C51 | 20.9° | 95.7° |
H31 | C31 | C41 | H41 | 140.9° | 144.3° |
H31 | C31 | C41 | H42 | 99.1° | 24.3° |
H32 | C31 | C41 | C51 | 99.1° | 24.4° |
H32 | C31 | C41 | H41 | 20.9° | 95.6° |
H32 | C31 | C41 | H42 | 140.9° | 144.4° |
C51 | C41 | H41 | H42 | 115.0° | 120.0° |
C41 | C51 | C61 | H51 | 120.0° | 120.0° |
C41 | C51 | C61 | H52 | 120.0° | 120.0° |
C41 | C51 | H51 | H52 | 116.2° | 120.0° |
C41 | C51 | C61 | C71 | 118.7° | 158.1° |
C41 | C51 | C61 | H61 | 121.3° | 81.8° |
C41 | C51 | C61 | H62 | 1.3° | 38.2° |
H41 | C41 | C51 | C61 | 104.5° | 6.5° |
H41 | C41 | C51 | H51 | 135.5° | 113.5° |
H41 | C41 | C51 | H52 | 15.5° | 126.5° |
H42 | C41 | C51 | C61 | 15.5° | 126.5° |
H42 | C41 | C51 | H51 | 104.5° | 6.5° |
H42 | C41 | C51 | H52 | 135.5° | 113.5° |
C61 | C51 | H51 | H52 | 116.2° | 120.0° |
C51 | C61 | C71 | H61 | 120.0° | 120.0° |
C51 | C61 | C71 | H62 | 120.0° | 119.9° |
C51 | C61 | H61 | H62 | 110.1° | 120.0° |
C51 | C61 | C71 | C81 | 90.0° | 128.7° |
C51 | C61 | C71 | H71 | 29.9° | 111.3° |
C51 | C61 | C71 | H72 | 149.9° | 8.7° |
H51 | C51 | C61 | C71 | 1.3° | 38.1° |
H51 | C51 | C61 | H61 | 118.7° | 158.1° |
H51 | C51 | C61 | H62 | 121.3° | 81.9° |
H52 | C51 | C61 | C71 | 121.3° | 81.8° |
H52 | C51 | C61 | H61 | 1.3° | 38.2° |
H52 | C51 | C61 | H62 | 118.7° | 158.2° |
C71 | C61 | H61 | H62 | 110.1° | 120.1° |
C61 | C71 | C81 | H71 | 120.0° | 120.0° |
C61 | C71 | C81 | H72 | 120.0° | 120.1° |
C61 | C71 | H71 | H72 | 114.3° | 120.0° |
C61 | C71 | C81 | O8 | 81.3° | 55.9° |
C61 | C71 | C81 | H81 | 114.5° | 175.9° |
C61 | C71 | C81 | N | 95.5° | 64.1° |
H61 | C61 | C71 | C81 | 149.9° | 8.7° |
H61 | C61 | C71 | H71 | 90.1° | 128.7° |
H61 | C61 | C71 | H72 | 29.9° | 111.3° |
H62 | C61 | C71 | C81 | 29.9° | 111.4° |
H62 | C61 | C71 | H71 | 149.9° | 8.6° |
H62 | C61 | C71 | H72 | 90.1° | 128.6° |
C81 | C71 | H71 | H72 | 114.4° | 120.0° |
C71 | C81 | O8 | H81 | 67.5° | 120.1° |
C71 | C81 | O8 | N | 176.5° | 120.0° |
C71 | C81 | H81 | N | 143.6° | 120.0° |
C71 | C81 | O8 | HO8 | 180.0° | 65.0° |
H71 | C71 | C81 | O8 | 158.8° | 175.9° |
H71 | C71 | C81 | H81 | 125.5° | 64.1° |
H71 | C71 | C81 | N | 24.5° | 55.9° |
H72 | C71 | C81 | O8 | 38.7° | 64.2° |
H72 | C71 | C81 | H81 | 5.5° | 55.9° |
H72 | C71 | C81 | N | 144.5° | 175.9° |
O8 | C81 | H81 | N | 89.4° | 119.9° |
H81 | C81 | O8 | HO8 | 112.5° | 55.0° |
HO8 | O8 | C81 | N | 3.5° | 175.0° |