PRD_000388
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C | doub | 1.22Å | 1.24Å | |
| C | O2 | sing | 1.35Å | 1.39Å | |
| O2 | CT | sing | 1.45Å | 1.44Å | |
| CT | C1 | sing | 1.53Å | 1.55Å | |
| CT | C2 | sing | 1.53Å | 1.55Å | |
| CT | C3 | sing | 1.53Å | 1.55Å | |
| 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 | 1.47Å | 1.44Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C4 | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C4 | O | doub | 1.21Å | 1.25Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| N1 | CA1 | sing | 1.46Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | C5 | sing | 1.51Å | 1.54Å | |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | doub | 1.21Å | 1.25Å | |
| CB1 | CG1 | sing | 1.53Å | 1.52Å | |
| CB1 | CG2 | sing | 1.53Å | 1.49Å | |
| CB1 | HB | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | 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 | |
| N2 | CA2 | sing | 1.46Å | 1.46Å | |
| N2 | HN1 | sing | 0.97Å | 1.00Å | |
| CA2 | CB2 | sing | 1.53Å | 1.52Å | |
| CA2 | B | sing | 1.57Å | 1.59Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | CG | sing | 1.53Å | 1.50Å | |
| CB2 | HB11 | sing | 1.09Å | 1.10Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.49Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.52Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.46Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 1.01Å | 1.00Å | |
| NZ | HZ2 | sing | 1.01Å | 1.00Å | |
| NZ | HZ3 | sing | 1.01Å | 1.00Å | |
| B | O4 | sing | 1.42Å | 1.38Å | |
| O4 | HO | sing | 0.97Å | 0.95Å | |
| C11 | O11 | sing | 1.43Å | 1.45Å | |
| C11 | C21 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H121 | sing | 1.09Å | 1.10Å | |
| C21 | C31 | sing | 1.53Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H221 | sing | 1.09Å | 1.10Å | |
| C31 | O31 | sing | 1.43Å | 1.41Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H321 | sing | 1.09Å | 1.10Å | |
| O31 | HO3 | sing | 0.97Å | 0.95Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| C4 | N1 | sing | 1.35Å | 1.33Å | |
| C5 | N2 | sing | 1.35Å | 1.34Å | |
| B | O11 | sing | 1.42Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | O2 | 121.0° | 119.9° |
| O1 | C | N | 122.1° | 120.1° |
| C | O2 | CT | 128.7° | 117.0° |
| O2 | C | N | 116.9° | 120.0° |
| O2 | CT | C1 | 108.6° | 109.5° |
| O2 | CT | C2 | 114.7° | 109.5° |
| O2 | CT | C3 | 108.7° | 109.5° |
| C1 | CT | C2 | 108.6° | 109.5° |
| C1 | CT | C3 | 108.9° | 109.5° |
| CT | C1 | H11 | 109.5° | 109.5° |
| CT | C1 | H12 | 109.4° | 109.5° |
| CT | C1 | H13 | 109.4° | 109.5° |
| C2 | CT | C3 | 107.3° | 109.4° |
| CT | C2 | H21 | 109.5° | 109.5° |
| CT | C2 | H22 | 109.5° | 109.5° |
| CT | C2 | H23 | 109.4° | 109.5° |
| CT | C3 | H31 | 109.5° | 109.5° |
| CT | C3 | H32 | 109.5° | 109.5° |
| CT | C3 | H33 | 109.4° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.4° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| 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 | 118.9° | 120.0° |
| N | CA | C4 | 112.8° | 109.5° |
| N | CA | CB | 109.2° | 109.5° |
| N | CA | HA | 107.4° | 109.5° |
| CA | N | C | 122.3° | 120.0° |
| H | N | C | 118.8° | 120.0° |
| C4 | CA | CB | 109.6° | 109.5° |
| C4 | CA | HA | 107.0° | 109.5° |
| CA | C4 | O | 127.3° | 120.0° |
| CA | C4 | N1 | 107.9° | 120.0° |
| CB | CA | HA | 110.8° | 109.4° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.4° | 109.5° |
| CA | CB | HB3 | 109.4° | 109.5° |
| O | C4 | N1 | 124.8° | 120.0° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| HB1 | CB | HB3 | 109.5° | 109.4° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
| CA1 | N1 | H1 | 117.4° | 120.0° |
| N1 | CA1 | C5 | 105.8° | 109.5° |
| N1 | CA1 | CB1 | 102.1° | 109.4° |
| N1 | CA1 | HA1 | 119.5° | 109.5° |
| CA1 | N1 | C4 | 125.3° | 120.0° |
| H1 | N1 | C4 | 117.4° | 120.0° |
| C5 | CA1 | CB1 | 117.6° | 109.5° |
| C5 | CA1 | HA1 | 104.6° | 109.5° |
| CA1 | C5 | O3 | 119.2° | 120.0° |
| CA1 | C5 | N2 | 119.9° | 120.0° |
| CB1 | CA1 | HA1 | 108.1° | 109.5° |
| CA1 | CB1 | CG1 | 113.8° | 109.5° |
| CA1 | CB1 | CG2 | 107.4° | 109.5° |
| CA1 | CB1 | HB | 108.4° | 109.5° |
| O3 | C5 | N2 | 120.9° | 120.0° |
| CG1 | CB1 | CG2 | 110.9° | 109.5° |
| CG1 | CB1 | HB | 104.8° | 109.5° |
| CB1 | CG1 | HG11 | 109.5° | 109.5° |
| CB1 | CG1 | HG12 | 109.5° | 109.5° |
| CB1 | CG1 | HG13 | 109.5° | 109.5° |
| CG2 | CB1 | HB | 111.5° | 109.5° |
| CB1 | CG2 | HG21 | 109.5° | 109.5° |
| CB1 | CG2 | HG22 | 109.5° | 109.5° |
| CB1 | CG2 | HG23 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.4° | 109.5° |
| HG11 | CG1 | HG13 | 109.4° | 109.4° |
| HG12 | CG1 | HG13 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.4° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| CA2 | N2 | HN1 | 118.8° | 120.0° |
| N2 | CA2 | CB2 | 103.5° | 109.5° |
| N2 | CA2 | B | 100.4° | 109.4° |
| N2 | CA2 | HA2 | 122.2° | 109.5° |
| CA2 | N2 | C5 | 122.3° | 120.0° |
| HN1 | N2 | C5 | 118.9° | 120.0° |
| CB2 | CA2 | B | 118.7° | 109.5° |
| CB2 | CA2 | HA2 | 105.0° | 109.5° |
| CA2 | CB2 | CG | 107.0° | 109.5° |
| CA2 | CB2 | HB11 | 110.3° | 109.5° |
| CA2 | CB2 | HB21 | 110.8° | 109.5° |
| B | CA2 | HA2 | 108.0° | 109.5° |
| CA2 | B | O4 | 120.1° | 120.0° |
| CA2 | B | O11 | 105.6° | 120.0° |
| CG | CB2 | HB11 | 110.3° | 109.5° |
| CG | CB2 | HB21 | 110.8° | 109.5° |
| CB2 | CG | CD | 109.5° | 109.5° |
| CB2 | CG | HG1 | 109.5° | 109.5° |
| CB2 | CG | HG2 | 109.5° | 109.5° |
| HB11 | CB2 | HB21 | 107.6° | 109.4° |
| CD | CG | HG1 | 109.5° | 109.5° |
| CD | CG | HG2 | 109.5° | 109.5° |
| CG | CD | CE | 107.4° | 109.5° |
| CG | CD | HD1 | 110.2° | 109.5° |
| CG | CD | HD2 | 110.7° | 109.4° |
| HG1 | CG | HG2 | 109.5° | 109.4° |
| CE | CD | HD1 | 110.2° | 109.5° |
| CE | CD | HD2 | 110.6° | 109.5° |
| CD | CE | NZ | 107.8° | 109.5° |
| CD | CE | HE1 | 110.1° | 109.5° |
| CD | CE | HE2 | 110.4° | 109.5° |
| HD1 | CD | HD2 | 107.9° | 109.5° |
| NZ | CE | HE1 | 110.0° | 109.5° |
| NZ | CE | HE2 | 110.4° | 109.5° |
| CE | NZ | HZ1 | 109.5° | 109.5° |
| CE | NZ | HZ2 | 109.4° | 109.5° |
| CE | NZ | HZ3 | 109.5° | 109.5° |
| HE1 | CE | HE2 | 108.2° | 109.4° |
| HZ1 | NZ | HZ2 | 109.5° | 109.5° |
| HZ1 | NZ | HZ3 | 109.4° | 109.5° |
| HZ2 | NZ | HZ3 | 109.5° | 109.4° |
| B | O4 | HO | 109.5° | 114.0° |
| O4 | B | O11 | 95.5° | 120.0° |
| O11 | C11 | C21 | 105.5° | 109.5° |
| O11 | C11 | H111 | 110.8° | 109.4° |
| O11 | C11 | H121 | 111.6° | 109.5° |
| C11 | O11 | B | 116.6° | 114.0° |
| C21 | C11 | H111 | 110.8° | 109.5° |
| C21 | C11 | H121 | 111.7° | 109.4° |
| C11 | C21 | C31 | 110.7° | 109.5° |
| C11 | C21 | H211 | 109.1° | 109.5° |
| C11 | C21 | H221 | 108.8° | 109.4° |
| H111 | C11 | H121 | 106.5° | 109.5° |
| C31 | C21 | H211 | 109.1° | 109.5° |
| C31 | C21 | H221 | 108.8° | 109.5° |
| C21 | C31 | O31 | 110.3° | 109.5° |
| C21 | C31 | H311 | 109.2° | 109.5° |
| C21 | C31 | H321 | 109.0° | 109.4° |
| H211 | C21 | H221 | 110.4° | 109.5° |
| O31 | C31 | H311 | 109.2° | 109.5° |
| O31 | C31 | H321 | 109.0° | 109.5° |
| C31 | O31 | HO3 | 109.5° | 113.9° |
| H311 | C31 | H321 | 110.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | O2 | N | 178.4° | 179.8° |
| O1 | C | O2 | CT | 110.0° | 0.1° |
| O1 | C | N | CA | 5.3° | 0.0° |
| O1 | C | N | H | 174.7° | 179.9° |
| C | O2 | CT | C1 | 175.4° | 59.9° |
| C | O2 | CT | C2 | 63.0° | 180.0° |
| C | O2 | CT | C3 | 57.0° | 60.1° |
| O2 | C | N | CA | 176.3° | 179.7° |
| O2 | C | N | H | 3.7° | 0.3° |
| O2 | CT | C1 | C2 | 125.3° | 120.0° |
| O2 | CT | C1 | C3 | 118.2° | 120.0° |
| O2 | CT | C2 | C3 | 120.8° | 120.0° |
| O2 | CT | C1 | H11 | 114.5° | 60.0° |
| O2 | CT | C1 | H12 | 5.5° | 180.0° |
| O2 | CT | C1 | H13 | 125.6° | 60.0° |
| O2 | CT | C2 | H21 | 96.2° | 59.9° |
| O2 | CT | C2 | H22 | 23.8° | 180.0° |
| O2 | CT | C2 | H23 | 143.8° | 60.0° |
| O2 | CT | C3 | H31 | 76.4° | 60.0° |
| O2 | CT | C3 | H32 | 43.6° | 179.9° |
| O2 | CT | C3 | H33 | 163.5° | 60.0° |
| CT | O2 | C | N | 71.6° | 179.7° |
| C1 | CT | C2 | C3 | 117.6° | 120.0° |
| CT | C1 | H11 | H12 | 120.0° | 120.0° |
| CT | C1 | H11 | H13 | 120.0° | 120.0° |
| CT | C1 | H12 | H13 | 120.0° | 120.1° |
| C1 | CT | C2 | H21 | 25.4° | 180.0° |
| C1 | CT | C2 | H22 | 145.4° | 60.0° |
| C1 | CT | C2 | H23 | 94.6° | 60.1° |
| C1 | CT | C3 | H31 | 165.4° | 60.0° |
| C1 | CT | C3 | H32 | 74.5° | 60.0° |
| C1 | CT | C3 | H33 | 45.4° | 180.0° |
| C2 | CT | C1 | H11 | 120.2° | 60.0° |
| C2 | CT | C1 | H12 | 119.7° | 59.9° |
| C2 | CT | C1 | H13 | 0.3° | 180.0° |
| CT | C2 | H21 | H22 | 120.0° | 120.0° |
| CT | C2 | H21 | H23 | 120.0° | 120.0° |
| CT | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | CT | C3 | H31 | 48.1° | 180.0° |
| C2 | CT | C3 | H32 | 168.1° | 60.0° |
| C2 | CT | C3 | H33 | 71.9° | 60.0° |
| C3 | CT | C1 | H11 | 3.7° | 180.0° |
| C3 | CT | C1 | H12 | 123.7° | 60.0° |
| C3 | CT | C1 | H13 | 116.2° | 60.0° |
| C3 | CT | C2 | H21 | 143.0° | 60.0° |
| C3 | CT | C2 | H22 | 97.0° | 60.0° |
| C3 | CT | C2 | H23 | 23.0° | 180.0° |
| CT | C3 | H31 | H32 | 120.0° | 120.0° |
| CT | C3 | H31 | H33 | 120.0° | 120.0° |
| CT | C3 | H32 | H33 | 120.0° | 120.0° |
| 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 | 121.9° | 120.0° |
| N | CA | C4 | HA | 117.9° | 120.0° |
| N | CA | CB | HA | 118.1° | 120.0° |
| N | CA | C4 | O | 45.3° | 0.0° |
| N | CA | CB | HB1 | 68.5° | 60.0° |
| N | CA | CB | HB2 | 171.5° | 180.0° |
| N | CA | CB | HB3 | 51.6° | 60.0° |
| N | CA | C4 | N1 | 134.4° | 180.0° |
| H | N | CA | C4 | 97.4° | 25.0° |
| H | N | CA | CB | 24.7° | 95.0° |
| H | N | CA | HA | 144.9° | 145.0° |
| C4 | CA | CB | HA | 117.8° | 120.0° |
| CA | C4 | O | N1 | 179.7° | 179.9° |
| C4 | CA | CB | HB1 | 55.6° | 60.0° |
| C4 | CA | CB | HB2 | 64.4° | 60.0° |
| C4 | CA | CB | HB3 | 175.6° | 180.0° |
| CA | C4 | N1 | CA1 | 174.4° | 180.0° |
| CA | C4 | N1 | H1 | 5.6° | 0.1° |
| C4 | CA | N | C | 82.6° | 155.0° |
| CB | CA | C4 | O | 76.6° | 120.0° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 120.0° | 120.0° |
| CB | CA | N | C | 155.2° | 85.0° |
| CB | CA | C4 | N1 | 103.7° | 60.0° |
| HA | CA | C4 | O | 163.3° | 120.0° |
| HA | CA | CB | HB1 | 173.4° | 180.0° |
| HA | CA | CB | HB2 | 53.4° | 60.0° |
| HA | CA | CB | HB3 | 66.6° | 60.0° |
| HA | CA | N | C | 35.0° | 35.0° |
| HA | CA | C4 | N1 | 16.5° | 59.9° |
| O | C4 | N1 | CA1 | 5.8° | 0.1° |
| O | C4 | N1 | H1 | 174.2° | 180.0° |
| HB1 | CB | HB2 | HB3 | 120.0° | 120.0° |
| CA1 | N1 | H1 | C4 | 180.0° | 179.9° |
| N1 | CA1 | C5 | CB1 | 113.1° | 120.0° |
| N1 | CA1 | C5 | HA1 | 127.0° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 126.9° | 120.0° |
| N1 | CA1 | C5 | O3 | 39.2° | 19.6° |
| N1 | CA1 | CB1 | CG1 | 106.2° | 64.9° |
| N1 | CA1 | CB1 | CG2 | 130.6° | 55.1° |
| N1 | CA1 | CB1 | HB | 10.0° | 175.1° |
| N1 | CA1 | C5 | N2 | 138.5° | 160.4° |
| H1 | N1 | CA1 | C5 | 116.2° | 25.0° |
| H1 | N1 | CA1 | CB1 | 7.3° | 95.0° |
| H1 | N1 | CA1 | HA1 | 126.4° | 145.0° |
| C5 | CA1 | CB1 | HA1 | 118.0° | 120.0° |
| CA1 | C5 | O3 | N2 | 177.6° | 180.0° |
| C5 | CA1 | CB1 | CG1 | 9.0° | 175.0° |
| C5 | CA1 | CB1 | CG2 | 114.2° | 64.9° |
| C5 | CA1 | CB1 | HB | 125.2° | 55.1° |
| CA1 | C5 | N2 | CA2 | 176.9° | 175.3° |
| CA1 | C5 | N2 | HN1 | 3.1° | 4.7° |
| C5 | CA1 | N1 | C4 | 63.8° | 155.0° |
| CB1 | CA1 | C5 | O3 | 73.9° | 100.4° |
| CA1 | CB1 | CG1 | CG2 | 121.3° | 120.0° |
| CA1 | CB1 | CG1 | HB | 118.3° | 120.0° |
| CA1 | CB1 | CG2 | HB | 118.7° | 120.0° |
| CA1 | CB1 | CG1 | HG11 | 28.3° | 66.1° |
| CA1 | CB1 | CG1 | HG12 | 148.3° | 173.9° |
| CA1 | CB1 | CG1 | HG13 | 91.7° | 53.9° |
| CA1 | CB1 | CG2 | HG21 | 158.1° | 60.0° |
| CA1 | CB1 | CG2 | HG22 | 38.1° | 180.0° |
| CA1 | CB1 | CG2 | HG23 | 81.9° | 60.0° |
| CB1 | CA1 | N1 | C4 | 172.7° | 85.0° |
| CB1 | CA1 | C5 | N2 | 108.4° | 79.6° |
| HA1 | CA1 | C5 | O3 | 166.2° | 139.6° |
| HA1 | CA1 | CB1 | CG1 | 127.0° | 55.0° |
| HA1 | CA1 | CB1 | CG2 | 3.8° | 175.1° |
| HA1 | CA1 | CB1 | HB | 116.8° | 64.9° |
| HA1 | CA1 | N1 | C4 | 53.6° | 34.9° |
| HA1 | CA1 | C5 | N2 | 11.5° | 40.4° |
| O3 | C5 | N2 | CA2 | 5.5° | 4.7° |
| O3 | C5 | N2 | HN1 | 174.6° | 175.3° |
| CG1 | CB1 | CG2 | HB | 116.4° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| CB1 | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB1 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| CG1 | CB1 | CG2 | HG21 | 33.1° | 180.0° |
| CG1 | CB1 | CG2 | HG22 | 86.8° | 60.0° |
| CG1 | CB1 | CG2 | HG23 | 153.1° | 60.0° |
| CG2 | CB1 | CG1 | HG11 | 92.9° | 53.9° |
| CG2 | CB1 | CG1 | HG12 | 27.0° | 66.1° |
| CG2 | CB1 | CG1 | HG13 | 147.1° | 173.9° |
| CB1 | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB1 | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB1 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HB | CB1 | CG1 | HG11 | 146.6° | 173.9° |
| HB | CB1 | CG1 | HG12 | 93.4° | 53.9° |
| HB | CB1 | CG1 | HG13 | 26.6° | 66.1° |
| HB | CB1 | CG2 | HG21 | 83.3° | 60.0° |
| HB | CB1 | CG2 | HG22 | 156.8° | 60.0° |
| HB | CB1 | CG2 | HG23 | 36.7° | 180.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CA2 | N2 | HN1 | C5 | 180.0° | 180.0° |
| N2 | CA2 | CB2 | B | 110.0° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 129.2° | 120.1° |
| N2 | CA2 | B | HA2 | 128.9° | 120.0° |
| N2 | CA2 | CB2 | CG | 77.7° | 180.0° |
| N2 | CA2 | CB2 | HB11 | 42.4° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 161.4° | 59.9° |
| N2 | CA2 | B | O4 | 35.3° | 0.1° |
| N2 | CA2 | B | O11 | 141.4° | 180.0° |
| HN1 | N2 | CA2 | CB2 | 40.5° | 45.0° |
| HN1 | N2 | CA2 | B | 82.6° | 75.0° |
| HN1 | N2 | CA2 | HA2 | 158.3° | 165.0° |
| CB2 | CA2 | B | HA2 | 119.2° | 120.0° |
| CA2 | CB2 | CG | HB11 | 120.0° | 120.0° |
| CA2 | CB2 | CG | HB21 | 121.0° | 120.1° |
| CA2 | CB2 | HB11 | HB21 | 121.0° | 120.0° |
| CA2 | CB2 | CG | CD | 168.8° | NaN° |
| CA2 | CB2 | CG | HG1 | 71.2° | 60.0° |
| CA2 | CB2 | CG | HG2 | 48.8° | 59.9° |
| CB2 | CA2 | B | O4 | 147.1° | 120.0° |
| CB2 | CA2 | N2 | C5 | 139.5° | 135.0° |
| CB2 | CA2 | B | O11 | 106.8° | 60.0° |
| B | CA2 | CB2 | CG | 172.3° | 60.0° |
| B | CA2 | CB2 | HB11 | 67.7° | 180.0° |
| B | CA2 | CB2 | HB21 | 51.3° | 60.0° |
| CA2 | B | O4 | O11 | 111.6° | 179.9° |
| CA2 | B | O4 | HO | 128.4° | 180.0° |
| CA2 | B | O11 | C11 | 170.7° | 180.0° |
| B | CA2 | N2 | C5 | 97.3° | 105.0° |
| HA2 | CA2 | CB2 | CG | 51.5° | 60.0° |
| HA2 | CA2 | CB2 | HB11 | 171.5° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 69.4° | 180.0° |
| HA2 | CA2 | B | O4 | 93.6° | 120.0° |
| HA2 | CA2 | N2 | C5 | 21.7° | 15.0° |
| HA2 | CA2 | B | O11 | 12.4° | 60.0° |
| CG | CB2 | HB11 | HB21 | 121.0° | 120.0° |
| CB2 | CG | CD | HG1 | 120.0° | 120.0° |
| CB2 | CG | CD | HG2 | 120.0° | 120.0° |
| CB2 | CG | HG1 | HG2 | 120.0° | 120.0° |
| CB2 | CG | CD | CE | 173.7° | 180.0° |
| CB2 | CG | CD | HD1 | 66.3° | 60.0° |
| CB2 | CG | CD | HD2 | 52.9° | 60.0° |
| HB11 | CB2 | CG | CD | 48.8° | 60.0° |
| HB11 | CB2 | CG | HG1 | 168.8° | NaN° |
| HB11 | CB2 | CG | HG2 | 71.2° | 60.0° |
| HB21 | CB2 | CG | CD | 70.2° | 59.9° |
| HB21 | CB2 | CG | HG1 | 49.8° | 60.0° |
| HB21 | CB2 | CG | HG2 | 169.8° | 180.0° |
| CD | CG | HG1 | HG2 | 120.0° | 120.0° |
| CG | CD | CE | HD1 | 120.0° | 120.0° |
| CG | CD | CE | HD2 | 120.8° | 120.0° |
| CG | CD | HD1 | HD2 | 120.9° | 120.0° |
| CG | CD | CE | NZ | 175.2° | 180.0° |
| CG | CD | CE | HE1 | 55.2° | 60.0° |
| CG | CD | CE | HE2 | 64.1° | 59.9° |
| HG1 | CG | CD | CE | 53.7° | 60.0° |
| HG1 | CG | CD | HD1 | 173.7° | 180.0° |
| HG1 | CG | CD | HD2 | 67.1° | 60.0° |
| HG2 | CG | CD | CE | 66.3° | 60.0° |
| HG2 | CG | CD | HD1 | 53.7° | 60.0° |
| HG2 | CG | CD | HD2 | 172.9° | 180.0° |
| CE | CD | HD1 | HD2 | 120.8° | 120.0° |
| CD | CE | NZ | HE1 | 120.0° | 120.0° |
| CD | CE | NZ | HE2 | 120.7° | 120.1° |
| CD | CE | HE1 | HE2 | 120.7° | 120.0° |
| CD | CE | NZ | HZ1 | 99.3° | 180.0° |
| CD | CE | NZ | HZ2 | 20.7° | 60.0° |
| CD | CE | NZ | HZ3 | 140.7° | 60.0° |
| HD1 | CD | CE | NZ | 64.8° | 60.0° |
| HD1 | CD | CE | HE1 | 175.2° | 180.0° |
| HD1 | CD | CE | HE2 | 55.9° | 60.0° |
| HD2 | CD | CE | NZ | 54.4° | 60.0° |
| HD2 | CD | CE | HE1 | 65.6° | 60.0° |
| HD2 | CD | CE | HE2 | 175.0° | 179.9° |
| NZ | CE | HE1 | HE2 | 120.7° | 120.0° |
| CE | NZ | HZ1 | HZ2 | 120.0° | 120.0° |
| CE | NZ | HZ1 | HZ3 | 120.0° | 120.0° |
| CE | NZ | HZ2 | HZ3 | 120.0° | 120.0° |
| HE1 | CE | NZ | HZ1 | 140.6° | 60.0° |
| HE1 | CE | NZ | HZ2 | 99.4° | 180.0° |
| HE1 | CE | NZ | HZ3 | 20.7° | 60.0° |
| HE2 | CE | NZ | HZ1 | 21.3° | 60.0° |
| HE2 | CE | NZ | HZ2 | 141.3° | 60.1° |
| HE2 | CE | NZ | HZ3 | 98.6° | 180.0° |
| HZ1 | NZ | HZ2 | HZ3 | 120.0° | 120.0° |
| O4 | B | O11 | C11 | 47.3° | 0.0° |
| HO | O4 | B | O11 | 16.8° | 0.0° |
| O11 | C11 | C21 | H111 | 120.0° | 120.0° |
| O11 | C11 | C21 | H121 | 121.5° | 120.0° |
| O11 | C11 | H111 | H121 | 121.6° | 120.0° |
| O11 | C11 | C21 | C31 | 60.7° | 180.0° |
| O11 | C11 | C21 | H211 | 179.2° | 60.0° |
| O11 | C11 | C21 | H221 | 58.7° | 60.0° |
| C21 | C11 | H111 | H121 | 121.6° | 120.0° |
| C11 | C21 | C31 | H211 | 120.0° | 120.0° |
| C11 | C21 | C31 | H221 | 119.5° | 120.0° |
| C11 | C21 | H211 | H221 | 119.5° | 119.9° |
| C11 | C21 | C31 | O31 | 150.2° | 180.0° |
| C11 | C21 | C31 | H311 | 30.1° | 60.0° |
| C11 | C21 | C31 | H321 | 90.2° | 60.0° |
| C21 | C11 | O11 | B | 104.9° | 180.0° |
| H111 | C11 | C21 | C31 | 59.2° | 60.0° |
| H111 | C11 | C21 | H211 | 60.8° | 179.9° |
| H111 | C11 | C21 | H221 | 178.7° | 60.0° |
| H111 | C11 | O11 | B | 135.1° | 60.0° |
| H121 | C11 | C21 | C31 | 177.8° | 60.1° |
| H121 | C11 | C21 | H211 | 57.8° | 60.0° |
| H121 | C11 | C21 | H221 | 62.7° | 180.0° |
| H121 | C11 | O11 | B | 16.6° | 60.0° |
| C31 | C21 | H211 | H221 | 119.5° | 120.0° |
| C21 | C31 | O31 | H311 | 120.0° | 120.0° |
| C21 | C31 | O31 | H321 | 119.7° | 119.9° |
| C21 | C31 | H311 | H321 | 119.7° | 119.9° |
| C21 | C31 | O31 | HO3 | 112.5° | 180.0° |
| H211 | C21 | C31 | O31 | 89.8° | 60.0° |
| H211 | C21 | C31 | H311 | 150.2° | 180.0° |
| H211 | C21 | C31 | H321 | 29.8° | 60.0° |
| H221 | C21 | C31 | O31 | 30.6° | 60.1° |
| H221 | C21 | C31 | H311 | 89.4° | 60.0° |
| H221 | C21 | C31 | H321 | 150.3° | 180.0° |
| O31 | C31 | H311 | H321 | 119.7° | 120.0° |
| H311 | C31 | O31 | HO3 | 127.5° | 60.0° |
| H321 | C31 | O31 | HO3 | 7.2° | 60.1° |
