PRD_000444
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CB | OXT | sing | 1.45Å | 1.48Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
OXT | C | sing | 1.34Å | 1.35Å | |
N | CA | sing | 1.47Å | 1.45Å | |
N | H | sing | 0.97Å | 1.00Å | |
N | C1 | sing | 1.35Å | 1.33Å | |
CA | C | sing | 1.51Å | 1.51Å | |
CA | HA1 | sing | 1.09Å | 1.10Å | |
CA | HA2 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.21Å | |
N1 | CA1 | sing | 1.46Å | 1.45Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N1 | C2 | sing | 1.35Å | 1.33Å | |
CA1 | C1 | sing | 1.51Å | 1.52Å | |
CA1 | HA21 | sing | 1.09Å | 1.10Å | |
CA1 | HA3 | sing | 1.09Å | 1.10Å | |
C1 | O1 | doub | 1.21Å | 1.24Å | |
N2 | CA2 | sing | 1.47Å | 1.48Å | |
N2 | H2 | sing | 0.97Å | 1.00Å | |
N2 | C11 | sing | 1.35Å | 1.33Å | |
CA2 | C2 | sing | 1.51Å | 1.51Å | |
CA2 | CB1 | sing | 1.53Å | 1.51Å | |
CA2 | HA | sing | 1.09Å | 1.10Å | |
C2 | O2 | doub | 1.21Å | 1.23Å | |
CB1 | CG | sing | 1.53Å | 1.52Å | |
CB1 | HB21 | sing | 1.09Å | 1.10Å | |
CB1 | HB31 | sing | 1.09Å | 1.10Å | |
CG | CD1 | sing | 1.53Å | 1.53Å | |
CG | CD2 | sing | 1.53Å | 1.53Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CD1 | HD11 | sing | 1.09Å | 1.10Å | |
CD1 | HD12 | sing | 1.09Å | 1.10Å | |
CD1 | HD13 | sing | 1.09Å | 1.10Å | |
CD2 | HD21 | sing | 1.09Å | 1.10Å | |
CD2 | HD22 | sing | 1.09Å | 1.10Å | |
CD2 | HD23 | sing | 1.09Å | 1.10Å | |
N3 | CA3 | sing | 1.47Å | 1.45Å | |
N3 | H3 | sing | 0.97Å | 1.00Å | |
N3 | C41 | sing | 1.35Å | 1.33Å | |
CA3 | C3 | sing | 1.51Å | 1.51Å | |
CA3 | CB2 | sing | 1.53Å | 1.53Å | |
CA3 | HA4 | sing | 1.09Å | 1.10Å | |
C3 | O3 | doub | 1.21Å | 1.23Å | |
C3 | N4 | sing | 1.35Å | 1.33Å | |
CB2 | CG1 | sing | 1.53Å | 1.53Å | |
CB2 | HB22 | sing | 1.09Å | 1.10Å | |
CB2 | HB32 | sing | 1.09Å | 1.10Å | |
CG1 | CD11 | sing | 1.53Å | 1.53Å | |
CG1 | CD21 | sing | 1.53Å | 1.51Å | |
CG1 | HG1 | sing | 1.09Å | 1.10Å | |
CD11 | HD14 | sing | 1.09Å | 1.10Å | |
CD11 | HD15 | sing | 1.09Å | 1.10Å | |
CD11 | HD16 | sing | 1.09Å | 1.10Å | |
CD21 | HD24 | sing | 1.09Å | 1.10Å | |
CD21 | HD25 | sing | 1.09Å | 1.10Å | |
CD21 | HD26 | sing | 1.09Å | 1.10Å | |
N4 | CA4 | sing | 1.47Å | 1.47Å | |
N4 | CD | sing | 1.47Å | 1.49Å | |
CA4 | C4 | sing | 1.51Å | 1.55Å | |
CA4 | CB3 | sing | 1.54Å | 1.53Å | |
CA4 | HA5 | sing | 1.09Å | 1.10Å | |
C4 | O4 | doub | 1.21Å | 1.23Å | |
C4 | OXT1 | sing | 1.34Å | 1.24Å | |
CB3 | CG2 | sing | 1.55Å | 1.49Å | |
CB3 | HB23 | sing | 1.09Å | 1.10Å | |
CB3 | HB33 | sing | 1.09Å | 1.10Å | |
CG2 | CD | sing | 1.55Å | 1.52Å | |
CG2 | HG2 | sing | 1.09Å | 1.10Å | |
CG2 | HG3 | sing | 1.09Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
OXT1 | HXT | sing | 0.97Å | 0.95Å | |
O11 | C11 | doub | 1.21Å | 1.24Å | |
C11 | C21 | sing | 1.51Å | 1.53Å | |
C21 | O21 | sing | 1.43Å | 1.44Å | |
C21 | C31 | sing | 1.53Å | 1.55Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
O21 | C31 | sing | 1.43Å | 2.45Å | |
C31 | C41 | sing | 1.51Å | 1.52Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C41 | O41 | doub | 1.21Å | 1.17Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OXT | CB | HB1 | 109.5° | 109.5° |
OXT | CB | HB2 | 109.5° | 109.5° |
OXT | CB | HB3 | 109.4° | 109.4° |
CB | OXT | C | 128.4° | 117.0° |
HB1 | CB | HB2 | 109.5° | 109.5° |
HB1 | CB | HB3 | 109.5° | 109.5° |
HB2 | CB | HB3 | 109.5° | 109.5° |
OXT | C | CA | 119.7° | 120.0° |
OXT | C | O | 120.0° | 120.0° |
CA | N | H | 119.5° | 120.0° |
CA | N | C1 | 121.1° | 120.0° |
N | CA | C | 112.0° | 109.4° |
N | CA | HA1 | 108.6° | 109.4° |
N | CA | HA2 | 108.1° | 109.5° |
H | N | C1 | 119.5° | 120.0° |
N | C1 | CA1 | 116.0° | 120.0° |
N | C1 | O1 | 122.8° | 120.0° |
C | CA | HA1 | 108.6° | 109.5° |
C | CA | HA2 | 108.0° | 109.4° |
CA | C | O | 120.3° | 120.0° |
HA1 | CA | HA2 | 111.5° | 109.5° |
CA1 | N1 | H1 | 119.5° | 120.0° |
CA1 | N1 | C2 | 121.0° | 120.0° |
N1 | CA1 | C1 | 113.3° | 109.5° |
N1 | CA1 | HA21 | 108.2° | 109.5° |
N1 | CA1 | HA3 | 107.4° | 109.5° |
H1 | N1 | C2 | 119.5° | 120.0° |
N1 | C2 | CA2 | 115.6° | 120.0° |
N1 | C2 | O2 | 123.2° | 120.0° |
C1 | CA1 | HA21 | 108.2° | 109.5° |
C1 | CA1 | HA3 | 107.3° | 109.5° |
CA1 | C1 | O1 | 120.9° | 120.0° |
HA21 | CA1 | HA3 | 112.5° | 109.4° |
CA2 | N2 | H2 | 119.0° | 120.0° |
CA2 | N2 | C11 | 122.0° | 120.0° |
N2 | CA2 | C2 | 111.5° | 109.5° |
N2 | CA2 | CB1 | 111.5° | 109.4° |
N2 | CA2 | HA | 106.0° | 109.5° |
H2 | N2 | C11 | 119.0° | 120.0° |
N2 | C11 | O11 | 121.8° | 120.0° |
N2 | C11 | C21 | 116.6° | 120.0° |
C2 | CA2 | CB1 | 107.2° | 109.5° |
C2 | CA2 | HA | 110.3° | 109.4° |
CA2 | C2 | O2 | 121.1° | 120.0° |
CB1 | CA2 | HA | 110.3° | 109.5° |
CA2 | CB1 | CG | 119.4° | 109.4° |
CA2 | CB1 | HB21 | 106.3° | 109.5° |
CA2 | CB1 | HB31 | 104.0° | 109.5° |
CG | CB1 | HB21 | 106.3° | 109.5° |
CG | CB1 | HB31 | 104.0° | 109.5° |
CB1 | CG | CD1 | 106.8° | 109.5° |
CB1 | CG | CD2 | 111.3° | 109.4° |
CB1 | CG | HG | 109.9° | 109.5° |
HB21 | CB1 | HB31 | 117.6° | 109.5° |
CD1 | CG | CD2 | 109.1° | 109.5° |
CD1 | CG | HG | 112.1° | 109.5° |
CG | CD1 | HD11 | 109.5° | 109.5° |
CG | CD1 | HD12 | 109.4° | 109.4° |
CG | CD1 | HD13 | 109.4° | 109.4° |
CD2 | CG | HG | 107.7° | 109.4° |
CG | CD2 | HD21 | 109.5° | 109.5° |
CG | CD2 | HD22 | 109.5° | 109.4° |
CG | CD2 | HD23 | 109.4° | 109.4° |
HD11 | CD1 | HD12 | 109.5° | 109.5° |
HD11 | CD1 | HD13 | 109.5° | 109.5° |
HD12 | CD1 | HD13 | 109.5° | 109.5° |
HD21 | CD2 | HD22 | 109.5° | 109.5° |
HD21 | CD2 | HD23 | 109.5° | 109.4° |
HD22 | CD2 | HD23 | 109.5° | 109.5° |
CA3 | N3 | H3 | 118.7° | 120.0° |
CA3 | N3 | C41 | 122.6° | 120.0° |
N3 | CA3 | C3 | 119.4° | 109.5° |
N3 | CA3 | CB2 | 109.9° | 109.5° |
N3 | CA3 | HA4 | 101.7° | 109.4° |
H3 | N3 | C41 | 118.7° | 120.0° |
N3 | C41 | C31 | 115.0° | 120.0° |
N3 | C41 | O41 | 91.0° | 120.0° |
C3 | CA3 | CB2 | 108.9° | 109.5° |
C3 | CA3 | HA4 | 102.9° | 109.5° |
CA3 | C3 | O3 | 121.6° | 120.0° |
CA3 | C3 | N4 | 115.9° | 120.0° |
CB2 | CA3 | HA4 | 113.8° | 109.5° |
CA3 | CB2 | CG1 | 116.9° | 109.5° |
CA3 | CB2 | HB22 | 107.1° | 109.5° |
CA3 | CB2 | HB32 | 105.4° | 109.5° |
O3 | C3 | N4 | 122.5° | 120.0° |
C3 | N4 | CA4 | 122.9° | 125.6° |
C3 | N4 | CD | 123.3° | 125.7° |
CG1 | CB2 | HB22 | 107.0° | 109.4° |
CG1 | CB2 | HB32 | 105.3° | 109.5° |
CB2 | CG1 | CD11 | 110.7° | 109.5° |
CB2 | CG1 | CD21 | 110.5° | 109.4° |
CB2 | CG1 | HG1 | 108.1° | 109.5° |
HB22 | CB2 | HB32 | 115.5° | 109.5° |
CD11 | CG1 | CD21 | 110.0° | 109.4° |
CD11 | CG1 | HG1 | 108.6° | 109.5° |
CG1 | CD11 | HD14 | 109.5° | 109.5° |
CG1 | CD11 | HD15 | 109.5° | 109.5° |
CG1 | CD11 | HD16 | 109.5° | 109.5° |
CD21 | CG1 | HG1 | 108.8° | 109.5° |
CG1 | CD21 | HD24 | 109.5° | 109.5° |
CG1 | CD21 | HD25 | 109.4° | 109.5° |
CG1 | CD21 | HD26 | 109.5° | 109.5° |
HD14 | CD11 | HD15 | 109.5° | 109.5° |
HD14 | CD11 | HD16 | 109.4° | 109.5° |
HD15 | CD11 | HD16 | 109.5° | 109.4° |
HD24 | CD21 | HD25 | 109.5° | 109.5° |
HD24 | CD21 | HD26 | 109.4° | 109.5° |
HD25 | CD21 | HD26 | 109.5° | 109.5° |
CA4 | N4 | CD | 111.9° | 108.7° |
N4 | CA4 | C4 | 108.6° | 109.9° |
N4 | CA4 | CB3 | 102.1° | 107.3° |
N4 | CA4 | HA5 | 115.7° | 109.9° |
N4 | CD | CG2 | 102.9° | 105.0° |
N4 | CD | HD2 | 111.7° | 110.4° |
N4 | CD | HD3 | 113.1° | 110.4° |
C4 | CA4 | CB3 | 112.5° | 109.9° |
C4 | CA4 | HA5 | 105.9° | 109.8° |
CA4 | C4 | O4 | 119.7° | 120.0° |
CA4 | C4 | OXT1 | 118.8° | 120.0° |
CB3 | CA4 | HA5 | 112.1° | 110.0° |
CA4 | CB3 | CG2 | 103.9° | 102.9° |
CA4 | CB3 | HB23 | 111.4° | 110.7° |
CA4 | CB3 | HB33 | 112.5° | 110.7° |
O4 | C4 | OXT1 | 121.5° | 120.0° |
C4 | OXT1 | HXT | 109.5° | 117.0° |
CG2 | CB3 | HB23 | 111.4° | 110.7° |
CG2 | CB3 | HB33 | 112.6° | 110.8° |
CB3 | CG2 | CD | 104.3° | 101.7° |
CB3 | CG2 | HG2 | 111.3° | 111.0° |
CB3 | CG2 | HG3 | 112.4° | 111.0° |
HB23 | CB3 | HB33 | 105.3° | 110.7° |
CD | CG2 | HG2 | 111.2° | 111.1° |
CD | CG2 | HG3 | 112.3° | 110.8° |
CG2 | CD | HD2 | 111.7° | 110.4° |
CG2 | CD | HD3 | 113.1° | 110.2° |
HG2 | CG2 | HG3 | 105.5° | 110.9° |
HD2 | CD | HD3 | 104.6° | 110.4° |
O11 | C11 | C21 | 120.4° | 120.1° |
C11 | C21 | O21 | 116.6° | 117.8° |
C11 | C21 | C31 | 113.4° | 117.8° |
C11 | C21 | H21 | 101.4° | 115.7° |
O21 | C21 | C31 | 110.1° | 57.6° |
O21 | C21 | H21 | 105.3° | 117.8° |
C21 | O21 | C31 | 36.4° | 64.7° |
C31 | C21 | H21 | 109.2° | 117.8° |
C21 | C31 | O21 | 33.5° | 57.6° |
C21 | C31 | C41 | 105.4° | 117.8° |
C21 | C31 | H31 | 138.7° | 117.7° |
O21 | C31 | C41 | 83.7° | 117.8° |
O21 | C31 | H31 | 158.6° | 117.7° |
C41 | C31 | H31 | 113.9° | 115.8° |
C31 | C41 | O41 | 70.1° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OXT | CB | HB1 | HB2 | 120.0° | 120.0° |
OXT | CB | HB1 | HB3 | 120.0° | 120.0° |
OXT | CB | HB2 | HB3 | 120.0° | 120.0° |
CB | OXT | C | CA | 165.6° | 180.0° |
CB | OXT | C | O | 12.1° | 0.1° |
HB1 | CB | HB2 | HB3 | 120.0° | 120.0° |
HB1 | CB | OXT | C | 85.1° | 59.9° |
HB2 | CB | OXT | C | 34.9° | 60.1° |
HB3 | CB | OXT | C | 154.9° | 179.9° |
OXT | C | CA | N | 68.1° | 179.9° |
OXT | C | CA | O | 177.7° | 179.9° |
OXT | C | CA | HA1 | 51.9° | 60.0° |
OXT | C | CA | HA2 | 173.0° | 60.0° |
CA | N | H | C1 | 180.0° | 179.9° |
N | CA | C | HA1 | 120.0° | 119.9° |
N | CA | C | HA2 | 118.9° | 120.0° |
N | CA | HA1 | HA2 | 119.0° | 120.1° |
N | CA | C | O | 109.7° | 0.0° |
CA | N | C1 | CA1 | 179.0° | 180.0° |
CA | N | C1 | O1 | 6.9° | 0.1° |
H | N | CA | C | 72.0° | 0.0° |
H | N | CA | HA1 | 48.0° | 120.0° |
H | N | CA | HA2 | 169.1° | 119.9° |
H | N | C1 | CA1 | 1.0° | 0.1° |
H | N | C1 | O1 | 173.2° | 180.0° |
C1 | N | CA | C | 108.0° | 180.0° |
C1 | N | CA | HA1 | 132.0° | 60.1° |
C1 | N | CA | HA2 | 10.9° | 60.0° |
N | C1 | CA1 | N1 | 50.1° | 180.0° |
N | C1 | CA1 | O1 | 174.2° | 179.9° |
N | C1 | CA1 | HA21 | 170.2° | 60.0° |
N | C1 | CA1 | HA3 | 68.2° | 59.9° |
C | CA | HA1 | HA2 | 118.9° | 120.0° |
HA1 | CA | C | O | 130.4° | 119.9° |
HA2 | CA | C | O | 9.3° | 120.0° |
CA1 | N1 | H1 | C2 | 180.0° | 180.0° |
N1 | CA1 | C1 | HA21 | 120.0° | 120.0° |
N1 | CA1 | C1 | HA3 | 118.3° | 120.0° |
N1 | CA1 | HA21 | HA3 | 118.5° | 120.0° |
N1 | CA1 | C1 | O1 | 124.1° | 0.1° |
CA1 | N1 | C2 | CA2 | 179.1° | 175.8° |
CA1 | N1 | C2 | O2 | 3.1° | 4.1° |
H1 | N1 | CA1 | C1 | 101.6° | 0.0° |
H1 | N1 | CA1 | HA21 | 138.4° | 120.1° |
H1 | N1 | CA1 | HA3 | 16.7° | 120.0° |
H1 | N1 | C2 | CA2 | 0.9° | 4.2° |
H1 | N1 | C2 | O2 | 176.9° | 175.9° |
C2 | N1 | CA1 | C1 | 78.4° | 180.0° |
C2 | N1 | CA1 | HA21 | 41.7° | 60.0° |
C2 | N1 | CA1 | HA3 | 163.3° | 59.9° |
N1 | C2 | CA2 | N2 | 139.4° | 162.4° |
N1 | C2 | CA2 | O2 | 176.1° | 179.9° |
N1 | C2 | CA2 | CB1 | 98.3° | 77.6° |
N1 | C2 | CA2 | HA | 21.9° | 42.4° |
C1 | CA1 | HA21 | HA3 | 118.4° | 120.0° |
HA21 | CA1 | C1 | O1 | 4.1° | 120.1° |
HA3 | CA1 | C1 | O1 | 117.6° | 120.0° |
CA2 | N2 | H2 | C11 | 180.0° | 179.9° |
N2 | CA2 | C2 | CB1 | 122.3° | 120.0° |
N2 | CA2 | C2 | HA | 117.5° | 120.0° |
N2 | CA2 | CB1 | HA | 117.5° | 120.0° |
N2 | CA2 | C2 | O2 | 36.7° | 17.6° |
N2 | CA2 | CB1 | CG | 80.2° | 173.9° |
N2 | CA2 | CB1 | HB21 | 39.8° | 53.9° |
N2 | CA2 | CB1 | HB31 | 164.6° | 66.1° |
CA2 | N2 | C11 | O11 | 11.7° | 5.0° |
CA2 | N2 | C11 | C21 | 179.2° | 175.0° |
H2 | N2 | CA2 | C2 | 69.3° | 28.3° |
H2 | N2 | CA2 | CB1 | 50.5° | 91.7° |
H2 | N2 | CA2 | HA | 170.6° | 148.3° |
H2 | N2 | C11 | O11 | 168.3° | 174.9° |
H2 | N2 | C11 | C21 | 0.8° | 5.1° |
C11 | N2 | CA2 | C2 | 110.7° | 151.6° |
C11 | N2 | CA2 | CB1 | 129.4° | 88.4° |
C11 | N2 | CA2 | HA | 9.3° | 31.6° |
N2 | C11 | O11 | C21 | 167.0° | 180.0° |
N2 | C11 | C21 | O21 | 29.4° | 133.6° |
N2 | C11 | C21 | C31 | 100.0° | 67.6° |
N2 | C11 | C21 | H21 | 143.1° | 79.5° |
C2 | CA2 | CB1 | HA | 120.1° | 120.0° |
C2 | CA2 | CB1 | CG | 157.5° | 66.1° |
C2 | CA2 | CB1 | HB21 | 82.5° | 173.9° |
C2 | CA2 | CB1 | HB31 | 42.3° | 53.9° |
CB1 | CA2 | C2 | O2 | 85.6° | 102.3° |
CA2 | CB1 | CG | HB21 | 120.0° | 120.0° |
CA2 | CB1 | CG | HB31 | 115.2° | 120.0° |
CA2 | CB1 | HB21 | HB31 | 115.9° | 120.0° |
CA2 | CB1 | CG | CD1 | 175.4° | 67.1° |
CA2 | CB1 | CG | CD2 | 65.6° | 172.9° |
CA2 | CB1 | CG | HG | 53.6° | 52.9° |
HA | CA2 | C2 | O2 | 154.2° | 137.7° |
HA | CA2 | CB1 | CG | 37.3° | 53.9° |
HA | CA2 | CB1 | HB21 | 157.3° | 66.1° |
HA | CA2 | CB1 | HB31 | 77.9° | 173.9° |
CG | CB1 | HB21 | HB31 | 115.9° | 120.0° |
CB1 | CG | CD1 | CD2 | 120.4° | 120.0° |
CB1 | CG | CD1 | HG | 120.4° | 120.0° |
CB1 | CG | CD2 | HG | 120.5° | 120.0° |
CB1 | CG | CD1 | HD11 | 177.4° | 176.1° |
CB1 | CG | CD1 | HD12 | 57.3° | 56.0° |
CB1 | CG | CD1 | HD13 | 62.6° | 63.9° |
CB1 | CG | CD2 | HD21 | 94.3° | 59.9° |
CB1 | CG | CD2 | HD22 | 25.6° | 180.0° |
CB1 | CG | CD2 | HD23 | 145.6° | 60.0° |
HB21 | CB1 | CG | CD1 | 55.4° | 52.9° |
HB21 | CB1 | CG | CD2 | 174.3° | 67.1° |
HB21 | CB1 | CG | HG | 66.5° | 172.9° |
HB31 | CB1 | CG | CD1 | 69.4° | 172.9° |
HB31 | CB1 | CG | CD2 | 49.6° | 52.9° |
HB31 | CB1 | CG | HG | 168.8° | 67.1° |
CD1 | CG | CD2 | HG | 121.9° | 120.0° |
CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
CG | CD1 | HD12 | HD13 | 119.9° | 119.9° |
CD1 | CG | CD2 | HD21 | 23.2° | 180.0° |
CD1 | CG | CD2 | HD22 | 143.2° | 59.9° |
CD1 | CG | CD2 | HD23 | 96.8° | 60.0° |
CD2 | CG | CD1 | HD11 | 62.2° | 63.9° |
CD2 | CG | CD1 | HD12 | 177.7° | 176.0° |
CD2 | CG | CD1 | HD13 | 57.8° | 56.1° |
CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
CG | CD2 | HD22 | HD23 | 120.0° | 119.9° |
HG | CG | CD1 | HD11 | 56.9° | 56.1° |
HG | CG | CD1 | HD12 | 63.1° | 64.0° |
HG | CG | CD1 | HD13 | 176.9° | 176.1° |
HG | CG | CD2 | HD21 | 145.1° | 60.0° |
HG | CG | CD2 | HD22 | 94.9° | 60.1° |
HG | CG | CD2 | HD23 | 25.1° | 180.0° |
HD11 | CD1 | HD12 | HD13 | 120.0° | 120.1° |
HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
CA3 | N3 | H3 | C41 | 180.0° | 180.0° |
N3 | CA3 | C3 | CB2 | 127.3° | 120.0° |
N3 | CA3 | C3 | HA4 | 111.6° | 120.0° |
N3 | CA3 | CB2 | HA4 | 113.3° | 120.0° |
N3 | CA3 | C3 | O3 | 25.4° | 0.0° |
N3 | CA3 | C3 | N4 | 154.7° | 180.0° |
N3 | CA3 | CB2 | CG1 | 83.9° | 65.0° |
N3 | CA3 | CB2 | HB22 | 156.1° | 55.0° |
N3 | CA3 | CB2 | HB32 | 32.6° | 175.0° |
CA3 | N3 | C41 | C31 | 172.7° | 180.0° |
CA3 | N3 | C41 | O41 | 118.9° | 0.0° |
H3 | N3 | CA3 | C3 | 118.1° | 25.0° |
H3 | N3 | CA3 | CB2 | 8.7° | 95.0° |
H3 | N3 | CA3 | HA4 | 129.6° | 145.0° |
H3 | N3 | C41 | C31 | 7.3° | 0.0° |
H3 | N3 | C41 | O41 | 61.1° | 180.0° |
C41 | N3 | CA3 | C3 | 61.9° | 155.0° |
C41 | N3 | CA3 | CB2 | 171.3° | 85.0° |
C41 | N3 | CA3 | HA4 | 50.3° | 35.0° |
N3 | C41 | C31 | C21 | 90.1° | 65.0° |
N3 | C41 | C31 | O21 | 64.4° | 131.0° |
N3 | C41 | C31 | O41 | 81.5° | 180.0° |
N3 | C41 | C31 | H31 | 102.9° | 82.0° |
C3 | CA3 | CB2 | HA4 | 114.2° | 120.1° |
CA3 | C3 | O3 | N4 | 179.9° | 180.0° |
C3 | CA3 | CB2 | CG1 | 48.5° | 175.0° |
C3 | CA3 | CB2 | HB22 | 71.4° | 65.0° |
C3 | CA3 | CB2 | HB32 | 165.1° | 55.0° |
CA3 | C3 | N4 | CA4 | 179.1° | 180.0° |
CA3 | C3 | N4 | CD | 17.7° | 0.3° |
CB2 | CA3 | C3 | O3 | 101.8° | 120.0° |
CB2 | CA3 | C3 | N4 | 78.1° | 60.0° |
CA3 | CB2 | CG1 | HB22 | 120.0° | 120.0° |
CA3 | CB2 | CG1 | HB32 | 116.6° | 120.0° |
CA3 | CB2 | HB22 | HB32 | 117.0° | 120.0° |
CA3 | CB2 | CG1 | CD11 | 172.5° | 175.0° |
CA3 | CB2 | CG1 | CD21 | 65.3° | 65.0° |
CA3 | CB2 | CG1 | HG1 | 53.7° | 55.0° |
HA4 | CA3 | C3 | O3 | 137.0° | 120.0° |
HA4 | CA3 | C3 | N4 | 43.1° | 60.0° |
HA4 | CA3 | CB2 | CG1 | 162.7° | 55.0° |
HA4 | CA3 | CB2 | HB22 | 42.8° | 175.0° |
HA4 | CA3 | CB2 | HB32 | 80.7° | 65.1° |
O3 | C3 | N4 | CA4 | 0.8° | 0.0° |
O3 | C3 | N4 | CD | 162.4° | 179.7° |
C3 | N4 | CA4 | CD | 164.9° | 179.8° |
C3 | N4 | CA4 | C4 | 91.8° | 61.6° |
C3 | N4 | CA4 | CB3 | 149.1° | 178.9° |
C3 | N4 | CA4 | HA5 | 27.1° | 59.3° |
C3 | N4 | CD | CG2 | 172.3° | 155.9° |
C3 | N4 | CD | HD2 | 52.4° | 37.0° |
C3 | N4 | CD | HD3 | 65.3° | 85.3° |
CG1 | CB2 | HB22 | HB32 | 116.9° | 120.0° |
CB2 | CG1 | CD11 | CD21 | 122.4° | 120.0° |
CB2 | CG1 | CD11 | HG1 | 118.5° | 120.0° |
CB2 | CG1 | CD21 | HG1 | 118.5° | 120.0° |
CB2 | CG1 | CD11 | HD14 | 88.3° | 60.0° |
CB2 | CG1 | CD11 | HD15 | 31.7° | 180.0° |
CB2 | CG1 | CD11 | HD16 | 151.8° | 60.1° |
CB2 | CG1 | CD21 | HD24 | 144.5° | 60.0° |
CB2 | CG1 | CD21 | HD25 | 24.5° | 180.0° |
CB2 | CG1 | CD21 | HD26 | 95.5° | 60.0° |
HB22 | CB2 | CG1 | CD11 | 52.6° | 55.0° |
HB22 | CB2 | CG1 | CD21 | 174.7° | 175.0° |
HB22 | CB2 | CG1 | HG1 | 66.3° | 65.0° |
HB32 | CB2 | CG1 | CD11 | 70.9° | 64.9° |
HB32 | CB2 | CG1 | CD21 | 51.3° | 55.0° |
HB32 | CB2 | CG1 | HG1 | 170.3° | 175.0° |
CD11 | CG1 | CD21 | HG1 | 118.9° | 120.0° |
CG1 | CD11 | HD14 | HD15 | 120.0° | 120.0° |
CG1 | CD11 | HD14 | HD16 | 120.0° | 120.0° |
CG1 | CD11 | HD15 | HD16 | 120.0° | 119.9° |
CD11 | CG1 | CD21 | HD24 | 22.0° | 180.0° |
CD11 | CG1 | CD21 | HD25 | 98.0° | 60.0° |
CD11 | CG1 | CD21 | HD26 | 141.9° | 60.0° |
CD21 | CG1 | CD11 | HD14 | 149.3° | 60.0° |
CD21 | CG1 | CD11 | HD15 | 90.7° | 60.0° |
CD21 | CG1 | CD11 | HD16 | 29.3° | 180.0° |
CG1 | CD21 | HD24 | HD25 | 120.0° | 120.0° |
CG1 | CD21 | HD24 | HD26 | 120.0° | 120.0° |
CG1 | CD21 | HD25 | HD26 | 120.0° | 120.0° |
HG1 | CG1 | CD11 | HD14 | 30.3° | 180.0° |
HG1 | CG1 | CD11 | HD15 | 150.3° | 60.0° |
HG1 | CG1 | CD11 | HD16 | 89.7° | 60.0° |
HG1 | CG1 | CD21 | HD24 | 97.0° | 60.0° |
HG1 | CG1 | CD21 | HD25 | 143.0° | 60.0° |
HG1 | CG1 | CD21 | HD26 | 23.0° | 180.0° |
HD14 | CD11 | HD15 | HD16 | 120.0° | 120.1° |
HD24 | CD21 | HD25 | HD26 | 120.0° | 120.0° |
N4 | CA4 | C4 | CB3 | 112.3° | 117.8° |
N4 | CA4 | C4 | HA5 | 124.9° | 121.0° |
N4 | CA4 | CB3 | HA5 | 124.5° | 119.5° |
N4 | CA4 | C4 | O4 | 161.3° | 0.1° |
N4 | CA4 | C4 | OXT1 | 16.8° | 180.0° |
N4 | CA4 | CB3 | CG2 | 33.4° | 22.2° |
N4 | CA4 | CB3 | HB23 | 153.4° | 96.2° |
N4 | CA4 | CB3 | HB33 | 88.6° | 140.6° |
CA4 | N4 | CD | CG2 | 7.5° | 23.8° |
CA4 | N4 | CD | HD2 | 112.4° | 142.7° |
CA4 | N4 | CD | HD3 | 129.9° | 94.9° |
CD | N4 | CA4 | C4 | 103.3° | 118.6° |
CD | N4 | CA4 | CB3 | 15.8° | 0.8° |
CD | N4 | CA4 | HA5 | 137.8° | 120.5° |
N4 | CD | CG2 | CB3 | 28.7° | 36.7° |
N4 | CD | CG2 | HD2 | 120.0° | 118.9° |
N4 | CD | CG2 | HD3 | 122.4° | 118.9° |
N4 | CD | CG2 | HG2 | 91.4° | 154.9° |
N4 | CD | CG2 | HG3 | 150.6° | 81.3° |
N4 | CD | HD2 | HD3 | 122.7° | 122.3° |
C4 | CA4 | CB3 | HA5 | 119.2° | 121.1° |
CA4 | C4 | O4 | OXT1 | 178.0° | 179.9° |
C4 | CA4 | CB3 | CG2 | 82.9° | 141.6° |
C4 | CA4 | CB3 | HB23 | 37.1° | 23.2° |
C4 | CA4 | CB3 | HB33 | 155.1° | 100.0° |
CA4 | C4 | OXT1 | HXT | 178.0° | 179.9° |
CB3 | CA4 | C4 | O4 | 86.4° | 117.8° |
CB3 | CA4 | C4 | OXT1 | 95.6° | 62.2° |
CA4 | CB3 | CG2 | HB23 | 120.0° | 118.4° |
CA4 | CB3 | CG2 | HB33 | 122.0° | 118.4° |
CA4 | CB3 | HB23 | HB33 | 122.3° | 123.2° |
CA4 | CB3 | CG2 | CD | 39.0° | 35.3° |
CA4 | CB3 | CG2 | HG2 | 81.0° | 153.6° |
CA4 | CB3 | CG2 | HG3 | 161.0° | 82.6° |
HA5 | CA4 | C4 | O4 | 36.3° | 121.0° |
HA5 | CA4 | C4 | OXT1 | 141.7° | 59.0° |
HA5 | CA4 | CB3 | CG2 | 157.9° | 97.3° |
HA5 | CA4 | CB3 | HB23 | 82.1° | 144.3° |
HA5 | CA4 | CB3 | HB33 | 35.8° | 21.1° |
O4 | C4 | OXT1 | HXT | 0.0° | 0.0° |
CG2 | CB3 | HB23 | HB33 | 122.3° | 123.3° |
CB3 | CG2 | CD | HG2 | 120.0° | 118.1° |
CB3 | CG2 | CD | HG3 | 121.9° | 118.1° |
CB3 | CG2 | HG2 | HG3 | 122.1° | 123.9° |
CB3 | CG2 | CD | HD2 | 91.3° | 155.6° |
CB3 | CG2 | CD | HD3 | 151.0° | 82.1° |
HB23 | CB3 | CG2 | CD | 159.1° | 83.0° |
HB23 | CB3 | CG2 | HG2 | 39.1° | 35.2° |
HB23 | CB3 | CG2 | HG3 | 79.0° | 159.0° |
HB33 | CB3 | CG2 | CD | 83.0° | 153.7° |
HB33 | CB3 | CG2 | HG2 | 157.0° | 88.1° |
HB33 | CB3 | CG2 | HG3 | 38.9° | 35.8° |
CD | CG2 | HG2 | HG3 | 122.1° | 123.8° |
CG2 | CD | HD2 | HD3 | 122.6° | 122.1° |
HG2 | CG2 | CD | HD2 | 148.7° | 86.2° |
HG2 | CG2 | CD | HD3 | 31.0° | 36.0° |
HG3 | CG2 | CD | HD2 | 30.6° | 37.6° |
HG3 | CG2 | CD | HD3 | 87.0° | 159.8° |
O11 | C11 | C21 | O21 | 138.3° | 46.3° |
O11 | C11 | C21 | C31 | 92.3° | 112.4° |
O11 | C11 | C21 | H21 | 24.6° | 100.6° |
C11 | C21 | O21 | C31 | 130.9° | 106.9° |
C11 | C21 | O21 | H21 | 111.5° | 146.2° |
C11 | C21 | C31 | H21 | 112.2° | 146.4° |
C11 | C21 | C31 | C41 | 175.9° | 146.3° |
C11 | C21 | C31 | H31 | 14.1° | 0.0° |
O21 | C21 | C31 | H21 | 115.2° | 106.8° |
O21 | C21 | C31 | C41 | 51.5° | 106.9° |
O21 | C21 | C31 | H31 | 146.7° | 106.8° |
C21 | C31 | C41 | H31 | 166.9° | 147.0° |
C21 | C31 | C41 | O41 | 171.6° | 115.0° |
H21 | C21 | C31 | C41 | 63.6° | 0.0° |
H21 | C21 | C31 | H31 | 98.1° | 146.4° |
O21 | C31 | C41 | H31 | 167.3° | 147.0° |
O21 | C31 | C41 | O41 | 145.8° | 49.0° |
H31 | C31 | C41 | O41 | 21.5° | 98.0° |