0IV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C | S | sing | 1.81Å | 1.78Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2A | sing | 1.09Å | 1.10Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| S | O1S | doub | 1.42Å | 1.42Å | |
| N | CA | sing | 1.47Å | 1.41Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | C7 | sing | 1.50Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.51Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| N1 | CD | sing | 1.46Å | 1.47Å | |
| C7 | O | doub | 1.21Å | 1.23Å | |
| N1 | CA1 | sing | 1.47Å | 1.46Å | |
| CA1 | C8 | sing | 1.51Å | 1.57Å | |
| CA1 | HA2 | sing | 1.09Å | 1.10Å | |
| CA1 | HA3 | sing | 1.09Å | 1.10Å | |
| C8 | O1 | doub | 1.21Å | 1.26Å | |
| C21 | C31 | sing | 1.53Å | 1.66Å | |
| C21 | C11 | sing | 1.53Å | 1.69Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | NE | sing | 1.47Å | 1.62Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| N2 | CA2 | sing | 1.47Å | 1.42Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| CA2 | C9 | sing | 1.51Å | 1.44Å | |
| CA2 | CB1 | sing | 1.53Å | 1.42Å | |
| CA2 | HA1 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.21Å | 1.37Å | |
| CB1 | CG1 | sing | 1.53Å | 1.44Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CZ | NE | sing | 1.37Å | 1.37Å | |
| CZ | NH1 | doub | 1.30Å | 1.31Å | |
| CZ | NH2 | sing | 1.37Å | 1.25Å | |
| NE | CD1 | sing | 1.47Å | 1.41Å | |
| C11 | CG1 | sing | 1.53Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.57Å | |
| CG1 | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD21 | sing | 1.09Å | 1.10Å | |
| NH1 | HN1 | sing | 0.97Å | 1.00Å | |
| NH2 | HN21 | sing | 0.97Å | 1.00Å | |
| NH2 | HN22 | sing | 0.97Å | 1.00Å | |
| S | N | sing | 1.66Å | 1.66Å | |
| C7 | N1 | sing | 1.33Å | 1.31Å | |
| C8 | N2 | sing | 1.35Å | 1.44Å | |
| O2S | S | doub | 1.42Å | 1.42Å | |
| H99 | C9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | S | 116.0° | 109.5° |
| C1 | C | H1 | 107.3° | 109.5° |
| C1 | C | H2A | 107.3° | 109.5° |
| C | C1 | C2 | 117.0° | 120.0° |
| C | C1 | C6 | 121.6° | 120.0° |
| S | C | H1 | 107.4° | 109.5° |
| S | C | H2A | 107.3° | 109.4° |
| C | S | O1S | 102.9° | 110.6° |
| C | S | N | 109.8° | 104.5° |
| C | S | O2S | 113.8° | 110.5° |
| H1 | C | H2A | 111.5° | 109.5° |
| C2 | C1 | C6 | 119.9° | 120.0° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C1 | C2 | H2 | 120.9° | 120.0° |
| C1 | C6 | C5 | 121.1° | 120.0° |
| C1 | C6 | H6 | 119.4° | 120.0° |
| C3 | C2 | H2 | 120.9° | 120.0° |
| C2 | C3 | C4 | 122.2° | 120.0° |
| C2 | C3 | H3 | 118.9° | 120.0° |
| C4 | C3 | H3 | 118.9° | 120.0° |
| C3 | C4 | C5 | 118.4° | 120.0° |
| C3 | C4 | H4 | 120.8° | 120.0° |
| C5 | C4 | H4 | 120.8° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| O1S | S | N | 105.4° | 104.3° |
| O1S | S | O2S | 125.3° | 121.0° |
| CA | N | H | 105.3° | 120.0° |
| N | CA | CB | 118.5° | 109.4° |
| N | CA | C7 | 108.6° | 109.4° |
| N | CA | HA | 104.2° | 109.4° |
| CA | N | S | 122.7° | 120.0° |
| H | N | S | 105.3° | 120.0° |
| CB | CA | C7 | 111.1° | 109.9° |
| CB | CA | HA | 101.3° | 109.4° |
| CA | CB | CG | 112.9° | 108.4° |
| CA | CB | HB2 | 108.4° | 109.7° |
| CA | CB | HB3 | 108.4° | 109.7° |
| C7 | CA | HA | 112.8° | 109.3° |
| CA | C7 | O | 113.9° | 118.3° |
| CA | C7 | N1 | 116.7° | 123.5° |
| CG | CB | HB2 | 108.3° | 109.7° |
| CG | CB | HB3 | 108.3° | 109.7° |
| CB | CG | CD | 118.1° | 108.7° |
| CB | CG | HG2 | 106.7° | 109.6° |
| CB | CG | HG3 | 106.7° | 109.6° |
| HB2 | CB | HB3 | 110.6° | 109.7° |
| CD | CG | HG2 | 106.7° | 109.6° |
| CD | CG | HG3 | 106.7° | 109.6° |
| CG | CD | HD1 | 108.0° | 109.3° |
| CG | CD | HD2 | 108.0° | 109.3° |
| CG | CD | N1 | 114.0° | 110.5° |
| HG2 | CG | HG3 | 112.1° | 109.8° |
| HD1 | CD | HD2 | 110.9° | 109.3° |
| HD1 | CD | N1 | 108.0° | 109.3° |
| HD2 | CD | N1 | 108.0° | 109.1° |
| CD | N1 | CA1 | 124.7° | 117.9° |
| CD | N1 | C7 | 127.1° | 124.1° |
| O | C7 | N1 | 127.0° | 118.3° |
| N1 | CA1 | C8 | 95.5° | 109.4° |
| N1 | CA1 | HA2 | 114.4° | 109.5° |
| N1 | CA1 | HA3 | 114.4° | 109.5° |
| CA1 | N1 | C7 | 108.0° | 117.9° |
| C8 | CA1 | HA2 | 114.4° | 109.4° |
| C8 | CA1 | HA3 | 114.4° | 109.5° |
| CA1 | C8 | O1 | 123.6° | 120.0° |
| CA1 | C8 | N2 | 114.7° | 120.0° |
| HA2 | CA1 | HA3 | 104.2° | 109.5° |
| O1 | C8 | N2 | 118.3° | 120.0° |
| C31 | C21 | C11 | 104.7° | 109.3° |
| C31 | C21 | H21 | 111.1° | 109.5° |
| C31 | C21 | H22 | 111.1° | 109.5° |
| C21 | C31 | NE | 110.2° | 108.8° |
| C21 | C31 | H31 | 109.2° | 109.6° |
| C21 | C31 | H32 | 109.2° | 109.6° |
| C11 | C21 | H21 | 111.1° | 109.5° |
| C11 | C21 | H22 | 111.1° | 109.5° |
| C21 | C11 | CG1 | 94.2° | 109.5° |
| C21 | C11 | H11 | 114.9° | 109.5° |
| C21 | C11 | H12 | 114.9° | 109.5° |
| H21 | C21 | H22 | 107.8° | 109.5° |
| NE | C31 | H31 | 109.2° | 109.6° |
| NE | C31 | H32 | 109.2° | 109.6° |
| C31 | NE | CZ | 120.3° | 120.7° |
| C31 | NE | CD1 | 106.4° | 118.7° |
| H31 | C31 | H32 | 109.7° | 109.6° |
| CA2 | N2 | HN2 | 116.0° | 120.0° |
| N2 | CA2 | C9 | 114.9° | 109.5° |
| N2 | CA2 | CB1 | 105.5° | 109.5° |
| N2 | CA2 | HA1 | 110.8° | 109.4° |
| CA2 | N2 | C8 | 128.0° | 120.0° |
| HN2 | N2 | C8 | 116.0° | 120.0° |
| C9 | CA2 | CB1 | 115.2° | 109.5° |
| C9 | CA2 | HA1 | 100.1° | 109.5° |
| CA2 | C9 | O2 | 135.4° | 120.0° |
| CA2 | C9 | H99 | 112.3° | 120.0° |
| CB1 | CA2 | HA1 | 110.5° | 109.4° |
| CA2 | CB1 | CG1 | 121.8° | 109.4° |
| CA2 | CB1 | HB1 | 105.5° | 109.4° |
| CA2 | CB1 | HB21 | 105.6° | 109.5° |
| O2 | C9 | H99 | 112.3° | 120.0° |
| CG1 | CB1 | HB1 | 105.6° | 109.5° |
| CG1 | CB1 | HB21 | 105.5° | 109.5° |
| CB1 | CG1 | C11 | 96.0° | 109.5° |
| CB1 | CG1 | CD1 | 106.3° | 109.5° |
| CB1 | CG1 | HG | 120.8° | 109.5° |
| HB1 | CB1 | HB21 | 113.1° | 109.5° |
| NE | CZ | NH1 | 120.4° | 120.0° |
| NE | CZ | NH2 | 123.1° | 120.0° |
| CZ | NE | CD1 | 127.9° | 120.6° |
| NH1 | CZ | NH2 | 116.4° | 120.0° |
| CZ | NH1 | HN1 | 112.0° | 120.0° |
| CZ | NH2 | HN21 | 120.0° | 120.0° |
| CZ | NH2 | HN22 | 120.0° | 120.1° |
| NE | CD1 | CG1 | 117.0° | 108.8° |
| NE | CD1 | HD11 | 107.0° | 109.6° |
| NE | CD1 | HD21 | 107.0° | 109.6° |
| CG1 | C11 | H11 | 114.9° | 109.4° |
| CG1 | C11 | H12 | 114.9° | 109.4° |
| C11 | CG1 | CD1 | 113.1° | 109.3° |
| C11 | CG1 | HG | 114.7° | 109.5° |
| H11 | C11 | H12 | 103.5° | 109.5° |
| CD1 | CG1 | HG | 105.8° | 109.5° |
| CG1 | CD1 | HD11 | 107.0° | 109.6° |
| CG1 | CD1 | HD21 | 107.1° | 109.6° |
| HD11 | CD1 | HD21 | 111.8° | 109.7° |
| HN21 | NH2 | HN22 | 120.0° | 120.0° |
| N | S | O2S | 98.8° | 104.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | S | H1 | 120.0° | 120.1° |
| C1 | C | S | H2A | 120.0° | 120.0° |
| C1 | C | H1 | H2A | 117.3° | 120.0° |
| C | C1 | C2 | C6 | 166.1° | 179.7° |
| C | C1 | C2 | C3 | 169.6° | 180.0° |
| C | C1 | C2 | H2 | 10.4° | 0.1° |
| C | C1 | C6 | C5 | 160.4° | 179.8° |
| C | C1 | C6 | H6 | 19.6° | 0.0° |
| C1 | C | S | O1S | 172.2° | 68.3° |
| C1 | C | S | N | 60.3° | 180.0° |
| C1 | C | S | O2S | 49.3° | 68.4° |
| S | C | H1 | H2A | 117.3° | 119.9° |
| S | C | C1 | C2 | 105.9° | 90.0° |
| S | C | C1 | C6 | 59.9° | 90.3° |
| C | S | O1S | N | 115.1° | 111.8° |
| C | S | O1S | O2S | 132.0° | 131.5° |
| C | S | N | CA | 80.8° | 65.0° |
| C | S | N | H | 39.2° | 115.0° |
| C | S | N | O2S | 119.3° | 116.0° |
| H1 | C | C1 | C2 | 134.1° | 150.0° |
| H1 | C | C1 | C6 | 60.1° | 29.7° |
| H1 | C | S | O1S | 67.8° | 171.6° |
| H1 | C | S | N | 179.7° | 60.0° |
| H1 | C | S | O2S | 70.7° | 51.6° |
| H2A | C | C1 | C2 | 14.0° | 30.0° |
| H2A | C | C1 | C6 | 179.9° | 149.7° |
| H2A | C | S | O1S | 52.2° | 51.7° |
| H2A | C | S | N | 59.6° | 60.0° |
| H2A | C | S | O2S | 169.3° | 171.6° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 8.2° | 0.1° |
| C1 | C2 | C3 | H3 | 171.8° | 180.0° |
| C2 | C1 | C6 | C5 | 5.0° | 0.5° |
| C2 | C1 | C6 | H6 | 175.0° | 179.7° |
| C6 | C1 | C2 | C3 | 3.5° | 0.3° |
| C6 | C1 | C2 | H2 | 176.5° | 179.8° |
| C1 | C6 | C5 | C4 | 9.1° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 170.9° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 4.2° | 0.0° |
| C2 | C3 | C4 | H4 | 175.7° | 180.0° |
| H2 | C2 | C3 | C4 | 171.8° | 180.0° |
| H2 | C2 | C3 | H3 | 8.2° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 4.4° | 0.2° |
| C3 | C4 | C5 | H5 | 175.6° | 180.0° |
| H3 | C3 | C4 | C5 | 175.8° | 180.0° |
| H3 | C3 | C4 | H4 | 4.3° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 170.9° | 179.8° |
| H4 | C4 | C5 | C6 | 175.6° | 179.9° |
| H4 | C4 | C5 | H5 | 4.4° | 0.0° |
| H5 | C5 | C6 | H6 | 9.1° | 0.1° |
| O1S | S | N | CA | 169.0° | 51.1° |
| O1S | S | N | H | 71.0° | 128.9° |
| O1S | S | N | O2S | 130.5° | 127.8° |
| CA | N | H | S | 131.0° | 180.0° |
| N | CA | CB | C7 | 126.7° | 120.1° |
| N | CA | CB | HA | 113.2° | 119.8° |
| N | CA | C7 | HA | 115.0° | 119.8° |
| N | CA | CB | CG | 176.8° | 169.1° |
| N | CA | CB | HB2 | 63.2° | 71.2° |
| N | CA | CB | HB3 | 56.8° | 49.3° |
| N | CA | C7 | O | 22.2° | 42.3° |
| N | CA | C7 | N1 | 174.4° | 137.7° |
| CA | N | S | O2S | 38.5° | 178.9° |
| H | N | CA | CB | 174.2° | 35.0° |
| H | N | CA | C7 | 46.3° | 85.4° |
| H | N | CA | HA | 74.1° | 154.8° |
| H | N | S | O2S | 158.5° | 1.1° |
| CB | CA | C7 | HA | 113.0° | 120.1° |
| CA | CB | CG | HB2 | 120.0° | 119.8° |
| CA | CB | CG | HB3 | 120.0° | 119.8° |
| CA | CB | HB2 | HB3 | 118.6° | 120.5° |
| CA | CB | CG | CD | 38.4° | 67.5° |
| CA | CB | CG | HG2 | 81.5° | 52.2° |
| CA | CB | CG | HG3 | 158.4° | 172.8° |
| CB | CA | C7 | O | 154.2° | 162.4° |
| CB | CA | N | S | 65.8° | 145.0° |
| CB | CA | C7 | N1 | 42.4° | 17.6° |
| C7 | CA | CB | CG | 50.1° | 48.9° |
| C7 | CA | CB | HB2 | 170.1° | 168.6° |
| C7 | CA | CB | HB3 | 69.9° | 70.9° |
| CA | C7 | N1 | CD | 20.9° | 2.2° |
| CA | C7 | O | N1 | 161.4° | 180.0° |
| CA | C7 | N1 | CA1 | 163.5° | 177.8° |
| C7 | CA | N | S | 166.3° | 94.5° |
| HA | CA | CB | CG | 70.0° | 71.2° |
| HA | CA | CB | HB2 | 50.0° | 48.6° |
| HA | CA | CB | HB3 | 170.0° | 169.1° |
| HA | CA | C7 | O | 92.8° | 77.5° |
| HA | CA | N | S | 45.9° | 25.2° |
| HA | CA | C7 | N1 | 70.6° | 102.5° |
| CG | CB | HB2 | HB3 | 118.6° | 120.5° |
| CB | CG | CD | HG2 | 120.0° | 119.8° |
| CB | CG | CD | HG3 | 120.0° | 119.8° |
| CB | CG | HG2 | HG3 | 116.4° | 120.5° |
| CB | CG | CD | HD1 | 135.1° | 171.0° |
| CB | CG | CD | HD2 | 104.9° | 69.4° |
| CB | CG | CD | N1 | 15.1° | 50.7° |
| HB2 | CB | CG | CD | 158.4° | 172.7° |
| HB2 | CB | CG | HG2 | 38.5° | 67.6° |
| HB2 | CB | CG | HG3 | 81.6° | 53.0° |
| HB3 | CB | CG | CD | 81.5° | 52.2° |
| HB3 | CB | CG | HG2 | 158.5° | 172.0° |
| HB3 | CB | CG | HG3 | 38.4° | 67.5° |
| CD | CG | HG2 | HG3 | 116.4° | 120.4° |
| CG | CD | HD1 | HD2 | 118.2° | 119.6° |
| CG | CD | HD1 | N1 | 123.7° | 121.0° |
| CG | CD | HD2 | N1 | 123.7° | 120.9° |
| CG | CD | N1 | CA1 | 178.5° | 160.9° |
| CG | CD | N1 | C7 | 6.7° | 19.0° |
| HG2 | CG | CD | HD1 | 15.1° | 51.3° |
| HG2 | CG | CD | HD2 | 135.1° | 170.9° |
| HG2 | CG | CD | N1 | 104.9° | 69.0° |
| HG3 | CG | CD | HD1 | 104.9° | 69.2° |
| HG3 | CG | CD | HD2 | 15.1° | 50.4° |
| HG3 | CG | CD | N1 | 135.1° | 170.5° |
| HD1 | CD | HD2 | N1 | 118.2° | 119.5° |
| HD1 | CD | N1 | CA1 | 58.5° | 40.6° |
| HD1 | CD | N1 | C7 | 126.7° | 139.4° |
| HD2 | CD | N1 | CA1 | 61.5° | 78.9° |
| HD2 | CD | N1 | C7 | 113.3° | 101.2° |
| CD | N1 | C7 | O | 178.2° | 177.8° |
| CD | N1 | CA1 | C7 | 175.7° | 180.0° |
| CD | N1 | CA1 | C8 | 104.9° | 90.0° |
| CD | N1 | CA1 | HA2 | 135.1° | 30.0° |
| CD | N1 | CA1 | HA3 | 15.1° | 150.0° |
| O | C7 | N1 | CA1 | 2.6° | 2.2° |
| N1 | CA1 | C8 | HA2 | 120.0° | 120.0° |
| N1 | CA1 | C8 | HA3 | 120.0° | 120.0° |
| N1 | CA1 | HA2 | HA3 | 125.6° | 120.0° |
| N1 | CA1 | C8 | O1 | 34.8° | 0.0° |
| N1 | CA1 | C8 | N2 | 166.4° | 180.0° |
| C8 | CA1 | HA2 | HA3 | 125.6° | 120.0° |
| CA1 | C8 | O1 | N2 | 158.0° | 180.0° |
| CA1 | C8 | N2 | CA2 | 172.1° | 180.0° |
| CA1 | C8 | N2 | HN2 | 7.9° | 0.0° |
| C8 | CA1 | N1 | C7 | 70.8° | 90.0° |
| HA2 | CA1 | C8 | O1 | 154.8° | 120.0° |
| HA2 | CA1 | N1 | C7 | 49.2° | 150.0° |
| HA2 | CA1 | C8 | N2 | 46.4° | 60.0° |
| HA3 | CA1 | C8 | O1 | 85.1° | 120.0° |
| HA3 | CA1 | N1 | C7 | 169.2° | 30.0° |
| HA3 | CA1 | C8 | N2 | 73.6° | 60.0° |
| O1 | C8 | N2 | CA2 | 12.2° | 0.0° |
| O1 | C8 | N2 | HN2 | 167.8° | 180.0° |
| C31 | C21 | C11 | H21 | 120.0° | 120.0° |
| C31 | C21 | C11 | H22 | 120.0° | 119.9° |
| C31 | C21 | H21 | H22 | 122.0° | 120.1° |
| C21 | C31 | NE | H31 | 120.0° | 119.8° |
| C21 | C31 | NE | H32 | 120.0° | 119.8° |
| C21 | C31 | H31 | H32 | 119.7° | 120.3° |
| C21 | C31 | NE | CZ | 102.2° | 126.4° |
| C21 | C31 | NE | CD1 | 53.8° | 53.6° |
| C31 | C21 | C11 | CG1 | 70.3° | 61.4° |
| C31 | C21 | C11 | H11 | 49.7° | 58.7° |
| C31 | C21 | C11 | H12 | 169.8° | 178.7° |
| C11 | C21 | H21 | H22 | 121.9° | 120.1° |
| C11 | C21 | C31 | NE | 68.4° | 54.6° |
| C11 | C21 | C31 | H31 | 171.6° | 174.5° |
| C11 | C21 | C31 | H32 | 51.6° | 65.2° |
| C21 | C11 | CG1 | CB1 | 179.8° | 178.7° |
| C21 | C11 | CG1 | H11 | 120.0° | 120.1° |
| C21 | C11 | CG1 | H12 | 120.0° | 120.0° |
| C21 | C11 | H11 | H12 | 126.1° | 120.0° |
| C21 | C11 | CG1 | CD1 | 69.6° | 61.4° |
| C21 | C11 | CG1 | HG | 51.9° | 58.6° |
| H21 | C21 | C31 | NE | 171.7° | 174.6° |
| H21 | C21 | C31 | H31 | 51.6° | 65.6° |
| H21 | C21 | C31 | H32 | 68.3° | 54.8° |
| H21 | C21 | C11 | CG1 | 169.8° | 178.6° |
| H21 | C21 | C11 | H11 | 70.2° | 61.3° |
| H21 | C21 | C11 | H12 | 49.8° | 58.7° |
| H22 | C21 | C31 | NE | 51.6° | 65.3° |
| H22 | C21 | C31 | H31 | 68.4° | 54.6° |
| H22 | C21 | C31 | H32 | 171.6° | 174.9° |
| H22 | C21 | C11 | CG1 | 49.7° | 58.6° |
| H22 | C21 | C11 | H11 | 169.7° | 178.6° |
| H22 | C21 | C11 | H12 | 70.3° | 61.4° |
| NE | C31 | H31 | H32 | 119.7° | 120.3° |
| C31 | NE | CZ | CD1 | 150.3° | 179.9° |
| C31 | NE | CZ | NH1 | 155.6° | 174.7° |
| C31 | NE | CZ | NH2 | 21.1° | 5.2° |
| C31 | NE | CD1 | CG1 | 50.5° | 53.6° |
| C31 | NE | CD1 | HD11 | 170.5° | 173.3° |
| C31 | NE | CD1 | HD21 | 69.5° | 66.2° |
| H31 | C31 | NE | CZ | 17.8° | 6.5° |
| H31 | C31 | NE | CD1 | 173.8° | 173.4° |
| H32 | C31 | NE | CZ | 137.8° | 113.8° |
| H32 | C31 | NE | CD1 | 66.2° | 66.3° |
| CA2 | N2 | HN2 | C8 | 180.0° | 180.0° |
| N2 | CA2 | C9 | CB1 | 122.9° | 120.0° |
| N2 | CA2 | C9 | HA1 | 118.7° | 120.0° |
| N2 | CA2 | CB1 | HA1 | 119.8° | 119.9° |
| N2 | CA2 | C9 | O2 | 158.7° | 0.0° |
| N2 | CA2 | CB1 | CG1 | 103.6° | 64.9° |
| N2 | CA2 | CB1 | HB1 | 16.4° | 55.0° |
| N2 | CA2 | CB1 | HB21 | 136.4° | 175.0° |
| N2 | CA2 | C9 | H99 | 21.3° | 180.0° |
| HN2 | N2 | CA2 | C9 | 94.5° | 95.0° |
| HN2 | N2 | CA2 | CB1 | 33.4° | 25.1° |
| HN2 | N2 | CA2 | HA1 | 153.0° | 145.0° |
| C9 | CA2 | CB1 | HA1 | 112.5° | 120.0° |
| CA2 | C9 | O2 | H99 | 180.0° | 180.0° |
| C9 | CA2 | CB1 | CG1 | 128.7° | 175.0° |
| C9 | CA2 | CB1 | HB1 | 111.3° | 65.0° |
| C9 | CA2 | CB1 | HB21 | 8.7° | 55.0° |
| C9 | CA2 | N2 | C8 | 85.5° | 85.0° |
| CB1 | CA2 | C9 | O2 | 35.8° | 120.0° |
| CA2 | CB1 | CG1 | HB1 | 120.0° | 119.9° |
| CA2 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA2 | CB1 | HB1 | HB21 | 114.9° | 120.0° |
| CA2 | CB1 | CG1 | C11 | 8.5° | 175.0° |
| CA2 | CB1 | CG1 | CD1 | 107.7° | 65.2° |
| CA2 | CB1 | CG1 | HG | 132.1° | 54.9° |
| CB1 | CA2 | N2 | C8 | 146.6° | 155.0° |
| CB1 | CA2 | C9 | H99 | 144.2° | 60.0° |
| HA1 | CA2 | C9 | O2 | 82.7° | 120.0° |
| HA1 | CA2 | CB1 | CG1 | 16.2° | 55.0° |
| HA1 | CA2 | CB1 | HB1 | 136.2° | 175.0° |
| HA1 | CA2 | CB1 | HB21 | 103.8° | 65.0° |
| HA1 | CA2 | N2 | C8 | 27.0° | 35.1° |
| HA1 | CA2 | C9 | H99 | 97.3° | 60.0° |
| CG1 | CB1 | HB1 | HB21 | 114.9° | 120.0° |
| CB1 | CG1 | CD1 | NE | 171.4° | 174.5° |
| CB1 | CG1 | C11 | CD1 | 110.6° | 119.9° |
| CB1 | CG1 | C11 | HG | 127.9° | 120.1° |
| CB1 | CG1 | C11 | H11 | 60.1° | 61.2° |
| CB1 | CG1 | C11 | H12 | 59.9° | 58.7° |
| CB1 | CG1 | CD1 | HG | 129.5° | 120.1° |
| CB1 | CG1 | CD1 | HD11 | 68.7° | 65.7° |
| CB1 | CG1 | CD1 | HD21 | 51.4° | 54.7° |
| HB1 | CB1 | CG1 | C11 | 128.6° | 55.1° |
| HB1 | CB1 | CG1 | CD1 | 12.3° | 174.8° |
| HB1 | CB1 | CG1 | HG | 107.9° | 65.0° |
| HB21 | CB1 | CG1 | C11 | 111.5° | 65.0° |
| HB21 | CB1 | CG1 | CD1 | 132.3° | 54.8° |
| HB21 | CB1 | CG1 | HG | 12.1° | 174.9° |
| NE | CZ | NH1 | NH2 | 176.8° | 179.9° |
| CZ | NE | CD1 | CG1 | 103.1° | 126.4° |
| CZ | NE | CD1 | HD11 | 16.9° | 6.6° |
| CZ | NE | CD1 | HD21 | 136.9° | 113.9° |
| NE | CZ | NH1 | HN1 | 176.8° | 179.9° |
| NE | CZ | NH2 | HN21 | 176.7° | 5.4° |
| NE | CZ | NH2 | HN22 | 3.3° | 174.6° |
| NH1 | CZ | NE | CD1 | 5.2° | 5.4° |
| NH1 | CZ | NH2 | HN21 | 0.0° | 174.5° |
| NH1 | CZ | NH2 | HN22 | 180.0° | 5.5° |
| NH2 | CZ | NE | CD1 | 171.4° | 174.7° |
| NH2 | CZ | NH1 | HN1 | 0.0° | 0.1° |
| CZ | NH2 | HN21 | HN22 | 180.0° | 180.0° |
| NE | CD1 | CG1 | C11 | 67.2° | 54.6° |
| NE | CD1 | CG1 | HD11 | 120.0° | 119.8° |
| NE | CD1 | CG1 | HD21 | 120.0° | 119.8° |
| NE | CD1 | CG1 | HG | 59.1° | 65.3° |
| NE | CD1 | HD11 | HD21 | 116.9° | 120.4° |
| CG1 | C11 | H11 | H12 | 126.1° | 119.9° |
| C11 | CG1 | CD1 | HG | 126.4° | 120.0° |
| C11 | CG1 | CD1 | HD11 | 172.8° | 174.4° |
| C11 | CG1 | CD1 | HD21 | 52.8° | 65.2° |
| H11 | C11 | CG1 | CD1 | 50.4° | 58.7° |
| H11 | C11 | CG1 | HG | 171.9° | 178.7° |
| H12 | C11 | CG1 | CD1 | 170.4° | 178.6° |
| H12 | C11 | CG1 | HG | 68.1° | 61.4° |
| CG1 | CD1 | HD11 | HD21 | 116.9° | 120.3° |
| HG | CG1 | CD1 | HD11 | 60.9° | 54.4° |
| HG | CG1 | CD1 | HD21 | 179.1° | 174.9° |
