DUY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | N | sing | 1.47Å | 1.43Å | |
| O3 | C3 | doub | 1.22Å | 1.22Å | |
| C9 | C10 | sing | 1.55Å | 1.54Å | |
| N | C3 | sing | 1.35Å | 1.38Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| C3 | O | sing | 1.35Å | 1.34Å | |
| C10 | C2 | sing | 1.54Å | 1.53Å | |
| C7 | C | sing | 1.53Å | 1.52Å | |
| O | C | sing | 1.45Å | 1.26Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| OH | C1 | doub | 1.21Å | 1.23Å | |
| C6 | C | sing | 1.53Å | 1.56Å | |
| C | C5 | sing | 1.53Å | 1.48Å | |
| C1 | N2 | sing | 1.35Å | 1.39Å | |
| N2 | CE1 | sing | 1.47Å | 1.43Å | |
| N2 | C29 | sing | 1.47Å | 1.43Å | |
| CE1 | CD1 | sing | 1.53Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.49Å | |
| O5 | C21 | doub | 1.21Å | 1.28Å | |
| CD1 | CG | sing | 1.53Å | 1.55Å | |
| C28 | CG | sing | 1.53Å | 1.49Å | |
| C21 | O4 | sing | 1.34Å | 1.25Å | |
| C21 | C15 | sing | 1.51Å | 1.49Å | |
| CG | CB | sing | 1.51Å | 1.57Å | |
| CG | CD2 | sing | 1.51Å | 1.49Å | |
| CB | O6 | doub | 1.21Å | 1.24Å | |
| CB | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| CE2 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C20 | sing | 1.54Å | 1.51Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C20 | C19 | sing | 1.54Å | 1.46Å | |
| C24 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.55Å | 1.50Å | |
| C26 | C25 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.54Å | 1.50Å | |
| C25 | BR1 | sing | 1.89Å | 1.93Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| CE1 | H28 | sing | 1.09Å | 1.10Å | |
| CE1 | H29 | sing | 1.09Å | 1.10Å | |
| CD1 | H30 | sing | 1.09Å | 1.10Å | |
| CD1 | H31 | sing | 1.09Å | 1.10Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| CE2 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N | 102.2° | 104.8° |
| C8 | C9 | C10 | 110.3° | 101.6° |
| C9 | C8 | H12 | 111.3° | 110.4° |
| C9 | C8 | H13 | 111.2° | 110.4° |
| C8 | C9 | H14 | 109.3° | 111.0° |
| C8 | C9 | H15 | 109.3° | 111.0° |
| C8 | N | C3 | 119.2° | 125.7° |
| C8 | N | C2 | 111.4° | 108.7° |
| N | C8 | H12 | 111.2° | 110.3° |
| N | C8 | H13 | 111.3° | 110.4° |
| O3 | C3 | N | 124.3° | 120.0° |
| O3 | C3 | O | 125.7° | 120.0° |
| C9 | C10 | C2 | 100.3° | 102.9° |
| C10 | C9 | H14 | 109.3° | 110.9° |
| C10 | C9 | H15 | 109.3° | 111.1° |
| C9 | C10 | H16 | 111.7° | 110.7° |
| C9 | C10 | H17 | 111.7° | 110.8° |
| C3 | N | C2 | 118.3° | 125.6° |
| N | C3 | O | 109.7° | 120.0° |
| N | C2 | C10 | 109.2° | 107.4° |
| N | C2 | C1 | 114.9° | 109.9° |
| N | C2 | H1 | 110.2° | 109.8° |
| C3 | O | C | 130.9° | 117.0° |
| C10 | C2 | C1 | 103.4° | 109.9° |
| C10 | C2 | H1 | 109.4° | 109.8° |
| C2 | C10 | H16 | 111.7° | 110.7° |
| C2 | C10 | H17 | 111.7° | 110.8° |
| C7 | C | O | 112.3° | 109.5° |
| C7 | C | C6 | 109.1° | 109.5° |
| C7 | C | C5 | 102.8° | 109.5° |
| C | C7 | H9 | 109.5° | 109.5° |
| C | C7 | H10 | 109.5° | 109.5° |
| C | C7 | H11 | 109.4° | 109.4° |
| O | C | C6 | 122.0° | 109.5° |
| O | C | C5 | 99.4° | 109.4° |
| C2 | C1 | OH | 112.3° | 120.0° |
| C2 | C1 | N2 | 118.5° | 120.0° |
| C1 | C2 | H1 | 109.4° | 109.9° |
| OH | C1 | N2 | 118.8° | 120.0° |
| C6 | C | C5 | 108.9° | 109.4° |
| C | C6 | H6 | 109.5° | 109.5° |
| C | C6 | H7 | 109.5° | 109.5° |
| C | C6 | H8 | 109.5° | 109.5° |
| C | C5 | H3 | 109.5° | 109.5° |
| C | C5 | H4 | 109.5° | 109.5° |
| C | C5 | H5 | 109.5° | 109.4° |
| C1 | N2 | CE1 | 115.5° | 120.6° |
| C1 | N2 | C29 | 123.4° | 120.7° |
| CE1 | N2 | C29 | 109.6° | 118.7° |
| N2 | CE1 | CD1 | 118.9° | 108.7° |
| N2 | CE1 | H28 | 107.1° | 109.6° |
| N2 | CE1 | H29 | 107.1° | 109.6° |
| N2 | C29 | C28 | 104.2° | 109.0° |
| N2 | C29 | H39 | 110.8° | 109.6° |
| N2 | C29 | H40 | 110.8° | 109.6° |
| CE1 | CD1 | CG | 110.6° | 109.3° |
| CD1 | CE1 | H28 | 107.1° | 109.6° |
| CD1 | CE1 | H29 | 107.1° | 109.6° |
| CE1 | CD1 | H30 | 109.2° | 109.5° |
| CE1 | CD1 | H31 | 109.2° | 109.5° |
| C29 | C28 | CG | 119.0° | 109.4° |
| C29 | C28 | H37 | 107.0° | 109.5° |
| C29 | C28 | H38 | 107.0° | 109.4° |
| C28 | C29 | H39 | 110.8° | 109.5° |
| C28 | C29 | H40 | 110.8° | 109.5° |
| O5 | C21 | O4 | 128.2° | 120.0° |
| O5 | C21 | C15 | 115.1° | 120.0° |
| CD1 | CG | C28 | 101.1° | 109.5° |
| CD1 | CG | CB | 106.9° | 109.5° |
| CD1 | CG | CD2 | 116.9° | 109.5° |
| CG | CD1 | H30 | 109.2° | 109.5° |
| CG | CD1 | H31 | 109.2° | 109.5° |
| C28 | CG | CB | 112.9° | 109.5° |
| C28 | CG | CD2 | 114.1° | 109.4° |
| CG | C28 | H37 | 107.0° | 109.5° |
| CG | C28 | H38 | 107.0° | 109.5° |
| O4 | C21 | C15 | 115.8° | 120.0° |
| C21 | O4 | H2 | 109.5° | 117.0° |
| C21 | C15 | N3 | 111.2° | 109.5° |
| C21 | C15 | C16 | 118.7° | 109.4° |
| C21 | C15 | H18 | 105.1° | 109.5° |
| CB | CG | CD2 | 104.9° | 109.5° |
| CG | CB | O6 | 123.4° | 120.0° |
| CG | CB | N3 | 117.3° | 120.0° |
| CG | CD2 | CE2 | 121.0° | 120.0° |
| CG | CD2 | C27 | 118.2° | 120.0° |
| O6 | CB | N3 | 119.2° | 120.0° |
| CB | N3 | C15 | 120.5° | 120.0° |
| CB | N3 | H32 | 119.7° | 120.0° |
| N3 | C15 | C16 | 110.6° | 109.5° |
| N3 | C15 | H18 | 105.4° | 109.5° |
| C15 | N3 | H32 | 119.7° | 120.0° |
| C15 | C16 | C20 | 105.8° | 110.5° |
| C15 | C16 | C17 | 111.9° | 110.5° |
| C16 | C15 | H18 | 104.7° | 109.5° |
| C15 | C16 | H19 | 111.5° | 110.4° |
| CE2 | CD2 | C27 | 120.4° | 120.0° |
| CD2 | CE2 | C24 | 126.1° | 120.0° |
| CD2 | CE2 | H33 | 116.9° | 120.0° |
| CD2 | C27 | C26 | 116.0° | 120.1° |
| CD2 | C27 | H36 | 122.0° | 119.9° |
| CE2 | C24 | C25 | 108.7° | 120.0° |
| C24 | CE2 | H33 | 117.0° | 120.0° |
| CE2 | C24 | H34 | 125.7° | 120.1° |
| C27 | C26 | C25 | 119.5° | 120.0° |
| C27 | C26 | H35 | 120.3° | 120.0° |
| C26 | C27 | H36 | 122.0° | 120.0° |
| C20 | C16 | C17 | 103.6° | 104.2° |
| C16 | C20 | C19 | 108.0° | 106.6° |
| C20 | C16 | H19 | 112.1° | 110.5° |
| C16 | C20 | H26 | 109.9° | 110.1° |
| C16 | C20 | H27 | 109.8° | 110.1° |
| C16 | C17 | C18 | 107.4° | 102.8° |
| C17 | C16 | H19 | 111.6° | 110.6° |
| C16 | C17 | H20 | 110.0° | 110.8° |
| C16 | C17 | H21 | 110.0° | 110.7° |
| C20 | C19 | C18 | 105.1° | 106.6° |
| C20 | C19 | H24 | 110.6° | 110.0° |
| C20 | C19 | H25 | 110.6° | 110.1° |
| C19 | C20 | H26 | 109.8° | 110.0° |
| C19 | C20 | H27 | 109.8° | 110.0° |
| C24 | C25 | C26 | 129.2° | 120.0° |
| C24 | C25 | BR1 | 117.9° | 120.0° |
| C25 | C24 | H34 | 125.6° | 120.0° |
| C17 | C18 | C19 | 105.0° | 104.2° |
| C18 | C17 | H20 | 110.0° | 110.8° |
| C18 | C17 | H21 | 110.0° | 110.7° |
| C17 | C18 | H22 | 110.6° | 110.4° |
| C17 | C18 | H23 | 110.6° | 110.5° |
| C26 | C25 | BR1 | 112.3° | 120.0° |
| C25 | C26 | H35 | 120.3° | 120.0° |
| C19 | C18 | H22 | 110.6° | 110.5° |
| C19 | C18 | H23 | 110.6° | 110.6° |
| C18 | C19 | H24 | 110.5° | 110.1° |
| C18 | C19 | H25 | 110.6° | 110.0° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.4° |
| H6 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.4° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 110.5° |
| H14 | C9 | H15 | 109.5° | 110.9° |
| H16 | C10 | H17 | 109.4° | 110.7° |
| H20 | C17 | H21 | 109.4° | 110.8° |
| H22 | C18 | H23 | 109.5° | 110.4° |
| H24 | C19 | H25 | 109.5° | 110.0° |
| H26 | C20 | H27 | 109.5° | 110.0° |
| H28 | CE1 | H29 | 109.5° | 109.7° |
| H30 | CD1 | H31 | 109.5° | 109.5° |
| H37 | C28 | H38 | 109.4° | 109.6° |
| H39 | C29 | H40 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N | H12 | 118.8° | 118.8° |
| C9 | C8 | N | H13 | 118.8° | 118.8° |
| C8 | C9 | C10 | H14 | 120.1° | 118.0° |
| C8 | C9 | C10 | H15 | 120.1° | 118.1° |
| C9 | C8 | N | C3 | 164.6° | 155.9° |
| C9 | C8 | N | C2 | 21.3° | 24.1° |
| C8 | C9 | C10 | C2 | 21.2° | 35.3° |
| C9 | C8 | H12 | H13 | 123.4° | 122.4° |
| C8 | C9 | H14 | H15 | 119.6° | 123.9° |
| C8 | C9 | C10 | H16 | 97.3° | 83.0° |
| C8 | C9 | C10 | H17 | 139.7° | 153.8° |
| C8 | N | C3 | O3 | 1.2° | 179.9° |
| N | C8 | C9 | C10 | 26.8° | 36.9° |
| C8 | N | C3 | C2 | 140.9° | 179.9° |
| C8 | N | C3 | O | 172.5° | 0.0° |
| C8 | N | C2 | C10 | 8.9° | 1.2° |
| C8 | N | C2 | C1 | 124.5° | 118.4° |
| C8 | N | C2 | H1 | 111.3° | 120.6° |
| N | C8 | H12 | H13 | 123.4° | 122.3° |
| N | C8 | C9 | H14 | 146.9° | 81.1° |
| N | C8 | C9 | H15 | 93.3° | 155.1° |
| O3 | C3 | N | O | 173.7° | 180.0° |
| O3 | C3 | N | C2 | 142.1° | 0.0° |
| O3 | C3 | O | C | 12.2° | 0.1° |
| C9 | C10 | C2 | N | 7.7° | 22.0° |
| C9 | C10 | C2 | H16 | 118.5° | 118.3° |
| C9 | C10 | C2 | H17 | 118.5° | 118.4° |
| C9 | C10 | C2 | C1 | 115.1° | 141.6° |
| C9 | C10 | C2 | H1 | 128.4° | 97.4° |
| C10 | C9 | C8 | H12 | 145.6° | 81.8° |
| C10 | C9 | C8 | H13 | 92.1° | 155.8° |
| C10 | C9 | H14 | H15 | 119.6° | 123.9° |
| C9 | C10 | H16 | H17 | 124.3° | 123.2° |
| C3 | N | C2 | C10 | 152.6° | 178.9° |
| N | C3 | O | C | 174.2° | 180.0° |
| C3 | N | C2 | C1 | 91.8° | 61.6° |
| C3 | N | C2 | H1 | 32.4° | 59.4° |
| C3 | N | C8 | H12 | 76.5° | 85.3° |
| C3 | N | C8 | H13 | 45.8° | 37.1° |
| C2 | N | C3 | O | 31.6° | 180.0° |
| N | C2 | C10 | C1 | 122.8° | 119.6° |
| N | C2 | C10 | H1 | 120.7° | 119.4° |
| N | C2 | C1 | H1 | 124.6° | 121.0° |
| N | C2 | C1 | OH | 6.2° | 18.1° |
| N | C2 | C1 | N2 | 138.4° | 161.7° |
| C2 | N | C8 | H12 | 140.1° | 94.6° |
| C2 | N | C8 | H13 | 97.5° | 143.0° |
| N | C2 | C10 | H16 | 110.8° | 96.3° |
| N | C2 | C10 | H17 | 126.2° | 140.5° |
| C3 | O | C | C7 | 78.7° | 60.0° |
| C3 | O | C | C6 | 53.6° | 60.1° |
| C3 | O | C | C5 | 173.1° | 180.0° |
| C10 | C2 | C1 | H1 | 116.5° | 121.0° |
| C10 | C2 | C1 | OH | 112.7° | 100.0° |
| C10 | C2 | C1 | N2 | 102.7° | 80.3° |
| C2 | C10 | C9 | H14 | 141.3° | 82.7° |
| C2 | C10 | C9 | H15 | 98.9° | 153.4° |
| C2 | C10 | H16 | H17 | 124.3° | 123.3° |
| C7 | C | O | C6 | 132.4° | 120.1° |
| C7 | C | O | C5 | 108.2° | 120.0° |
| C7 | C | C6 | C5 | 111.5° | 120.0° |
| C7 | C | C5 | H3 | 180.0° | 180.0° |
| C7 | C | C5 | H4 | 60.0° | 60.0° |
| C7 | C | C5 | H5 | 60.0° | 60.0° |
| C7 | C | C6 | H6 | 180.0° | 60.1° |
| C7 | C | C6 | H7 | 60.0° | 180.0° |
| C7 | C | C6 | H8 | 60.0° | 60.0° |
| C | C7 | H9 | H10 | 120.0° | 120.0° |
| C | C7 | H9 | H11 | 120.0° | 119.9° |
| C | C7 | H10 | H11 | 120.0° | 120.0° |
| O | C | C6 | C5 | 114.8° | 120.0° |
| O | C | C5 | H3 | 64.4° | 60.0° |
| O | C | C5 | H4 | 55.7° | 60.0° |
| O | C | C5 | H5 | 175.6° | 180.0° |
| O | C | C6 | H6 | 46.3° | 60.0° |
| O | C | C6 | H7 | 166.3° | 59.9° |
| O | C | C6 | H8 | 73.7° | 180.0° |
| O | C | C7 | H9 | 180.0° | 180.0° |
| O | C | C7 | H10 | 60.0° | 60.0° |
| O | C | C7 | H11 | 60.0° | 60.0° |
| C2 | C1 | OH | N2 | 144.5° | 179.8° |
| C2 | C1 | N2 | CE1 | 171.9° | 180.0° |
| C2 | C1 | N2 | C29 | 48.5° | 0.3° |
| C1 | C2 | C10 | H16 | 126.4° | 23.3° |
| C1 | C2 | C10 | H17 | 3.4° | 99.9° |
| OH | C1 | N2 | CE1 | 29.6° | 0.3° |
| OH | C1 | N2 | C29 | 169.2° | 179.5° |
| OH | C1 | C2 | H1 | 130.8° | 139.1° |
| C6 | C | C5 | H3 | 64.3° | 60.0° |
| C6 | C | C5 | H4 | 175.6° | 180.0° |
| C6 | C | C5 | H5 | 55.7° | 60.0° |
| C | C6 | H6 | H7 | 120.0° | 120.0° |
| C | C6 | H6 | H8 | 120.0° | 120.0° |
| C | C6 | H7 | H8 | 120.0° | 120.0° |
| C6 | C | C7 | H9 | 41.5° | 60.0° |
| C6 | C | C7 | H10 | 161.5° | 179.9° |
| C6 | C | C7 | H11 | 78.5° | 60.0° |
| C | C5 | H3 | H4 | 120.0° | 120.0° |
| C | C5 | H3 | H5 | 120.0° | 119.9° |
| C | C5 | H4 | H5 | 120.0° | 119.9° |
| C5 | C | C6 | H6 | 68.4° | 180.0° |
| C5 | C | C6 | H7 | 51.5° | 60.0° |
| C5 | C | C6 | H8 | 171.5° | 60.0° |
| C5 | C | C7 | H9 | 74.0° | 60.0° |
| C5 | C | C7 | H10 | 46.0° | 60.0° |
| C5 | C | C7 | H11 | 166.0° | 180.0° |
| C1 | N2 | CE1 | C29 | 145.0° | 179.8° |
| C1 | N2 | CE1 | CD1 | 159.4° | 126.4° |
| C1 | N2 | C29 | C28 | 161.8° | 126.4° |
| N2 | C1 | C2 | H1 | 13.8° | 40.7° |
| C1 | N2 | CE1 | H28 | 79.3° | 113.8° |
| C1 | N2 | CE1 | H29 | 38.1° | 6.6° |
| C1 | N2 | C29 | H39 | 42.6° | 6.6° |
| C1 | N2 | C29 | H40 | 79.0° | 113.8° |
| N2 | CE1 | CD1 | H28 | 121.3° | 119.8° |
| N2 | CE1 | CD1 | H29 | 121.3° | 119.8° |
| CE1 | N2 | C29 | C28 | 56.5° | 53.3° |
| N2 | CE1 | CD1 | CG | 50.9° | 54.7° |
| N2 | CE1 | H28 | H29 | 115.7° | 120.4° |
| N2 | CE1 | CD1 | H30 | 171.1° | 174.6° |
| N2 | CE1 | CD1 | H31 | 69.2° | 65.3° |
| CE1 | N2 | C29 | H39 | 175.7° | 173.2° |
| CE1 | N2 | C29 | H40 | 62.6° | 66.4° |
| C29 | N2 | CE1 | CD1 | 55.6° | 53.4° |
| N2 | C29 | C28 | H39 | 119.2° | 119.9° |
| N2 | C29 | C28 | H40 | 119.2° | 119.8° |
| N2 | C29 | C28 | CG | 69.3° | 54.4° |
| C29 | N2 | CE1 | H28 | 65.7° | 66.4° |
| C29 | N2 | CE1 | H29 | 177.0° | 173.1° |
| N2 | C29 | C28 | H37 | 52.1° | 174.4° |
| N2 | C29 | C28 | H38 | 169.4° | 65.5° |
| N2 | C29 | H39 | H40 | 122.4° | 120.3° |
| CE1 | CD1 | CG | H30 | 120.2° | 120.0° |
| CE1 | CD1 | CG | H31 | 120.2° | 120.0° |
| CE1 | CD1 | CG | C28 | 46.9° | 61.4° |
| CE1 | CD1 | CG | CB | 71.4° | 58.6° |
| CE1 | CD1 | CG | CD2 | 171.4° | 178.6° |
| CD1 | CE1 | H28 | H29 | 115.7° | 120.3° |
| CE1 | CD1 | H30 | H31 | 119.5° | 120.1° |
| C29 | C28 | CG | CD1 | 62.6° | 61.2° |
| C29 | C28 | CG | H37 | 121.4° | 120.0° |
| C29 | C28 | CG | H38 | 121.4° | 119.8° |
| C29 | C28 | CG | CB | 51.3° | 58.8° |
| C29 | C28 | CG | CD2 | 171.0° | 178.8° |
| C29 | C28 | H37 | H38 | 115.7° | 120.0° |
| C28 | C29 | H39 | H40 | 122.4° | 120.2° |
| O5 | C21 | O4 | C15 | 168.6° | 180.0° |
| O5 | C21 | C15 | N3 | 14.5° | 0.0° |
| O5 | C21 | C15 | C16 | 115.4° | 120.0° |
| O5 | C21 | O4 | H2 | 0.0° | 0.0° |
| O5 | C21 | C15 | H18 | 128.1° | 120.0° |
| CD1 | CG | C28 | CB | 113.9° | 120.1° |
| CD1 | CG | C28 | CD2 | 126.4° | 120.0° |
| CD1 | CG | CB | CD2 | 124.8° | 120.0° |
| CD1 | CG | CB | O6 | 33.4° | 127.2° |
| CD1 | CG | CB | N3 | 151.4° | 52.8° |
| CD1 | CG | CD2 | CE2 | 138.3° | 174.9° |
| CD1 | CG | CD2 | C27 | 49.5° | 4.8° |
| CG | CD1 | CE1 | H28 | 70.4° | 65.2° |
| CG | CD1 | CE1 | H29 | 172.2° | 174.4° |
| CG | CD1 | H30 | H31 | 119.5° | 120.0° |
| CD1 | CG | C28 | H37 | 58.8° | 178.7° |
| CD1 | CG | C28 | H38 | 176.1° | 58.6° |
| C28 | CG | CB | CD2 | 124.9° | 119.9° |
| C28 | CG | CB | O6 | 143.7° | 7.1° |
| C28 | CG | CB | N3 | 41.1° | 172.9° |
| C28 | CG | CD2 | CE2 | 20.6° | 65.1° |
| C28 | CG | CD2 | C27 | 167.2° | 115.3° |
| C28 | CG | CD1 | H30 | 167.1° | 178.6° |
| C28 | CG | CD1 | H31 | 73.3° | 58.6° |
| CG | C28 | H37 | H38 | 115.7° | 120.1° |
| CG | C28 | C29 | H39 | 171.5° | 174.3° |
| CG | C28 | C29 | H40 | 49.9° | 65.4° |
| O4 | C21 | C15 | N3 | 175.4° | 180.0° |
| O4 | C21 | C15 | C16 | 54.7° | 60.1° |
| O4 | C21 | C15 | H18 | 61.8° | 60.0° |
| C21 | C15 | N3 | CB | 116.4° | 85.1° |
| C21 | C15 | N3 | C16 | 134.1° | 119.9° |
| C21 | C15 | N3 | H18 | 113.4° | 120.0° |
| C21 | C15 | C16 | H18 | 116.7° | 120.0° |
| C21 | C15 | C16 | C20 | 56.5° | 65.0° |
| C21 | C15 | C16 | C17 | 168.6° | 49.7° |
| C15 | C21 | O4 | H2 | 168.6° | 180.0° |
| C21 | C15 | C16 | H19 | 65.6° | 172.5° |
| C21 | C15 | N3 | H32 | 63.6° | 95.0° |
| CG | CB | O6 | N3 | 175.1° | 180.0° |
| CG | CB | N3 | C15 | 177.2° | 174.9° |
| CB | CG | CD2 | CE2 | 103.5° | 54.9° |
| CB | CG | CD2 | C27 | 68.7° | 124.8° |
| CB | CG | CD1 | H30 | 48.7° | 61.3° |
| CB | CG | CD1 | H31 | 168.4° | 178.7° |
| CG | CB | N3 | H32 | 2.8° | 5.0° |
| CB | CG | C28 | H37 | 172.7° | 61.2° |
| CB | CG | C28 | H38 | 70.1° | 178.6° |
| CD2 | CG | CB | O6 | 91.4° | 112.9° |
| CD2 | CG | CB | N3 | 83.8° | 67.2° |
| CG | CD2 | CE2 | C27 | 172.0° | 179.7° |
| CG | CD2 | CE2 | C24 | 172.0° | 180.0° |
| CG | CD2 | C27 | C26 | 172.7° | 179.8° |
| CD2 | CG | CD1 | H30 | 68.4° | 58.7° |
| CD2 | CG | CD1 | H31 | 51.3° | 61.4° |
| CG | CD2 | CE2 | H33 | 8.0° | 0.1° |
| CG | CD2 | C27 | H36 | 7.2° | 0.0° |
| CD2 | CG | C28 | H37 | 67.6° | 58.7° |
| CD2 | CG | C28 | H38 | 49.6° | 61.4° |
| O6 | CB | N3 | C15 | 1.8° | 5.0° |
| O6 | CB | N3 | H32 | 178.2° | 175.0° |
| CB | N3 | C15 | H32 | 180.0° | 179.9° |
| CB | N3 | C15 | C16 | 109.5° | 155.0° |
| CB | N3 | C15 | H18 | 3.1° | 35.0° |
| N3 | C15 | C16 | H18 | 113.0° | 120.0° |
| N3 | C15 | C16 | C20 | 73.8° | 175.0° |
| N3 | C15 | C16 | C17 | 38.4° | 70.2° |
| N3 | C15 | C16 | H19 | 164.1° | 52.5° |
| C15 | C16 | C20 | C17 | 117.8° | 118.7° |
| C15 | C16 | C20 | H19 | 121.7° | 122.5° |
| C15 | C16 | C17 | H19 | 125.7° | 122.6° |
| C15 | C16 | C20 | C19 | 138.2° | 142.3° |
| C15 | C16 | C17 | C18 | 113.9° | 156.6° |
| C15 | C16 | C17 | H20 | 126.5° | 85.0° |
| C15 | C16 | C17 | H21 | 5.8° | 38.3° |
| C15 | C16 | C20 | H26 | 18.5° | 23.1° |
| C15 | C16 | C20 | H27 | 102.0° | 98.4° |
| C16 | C15 | N3 | H32 | 70.5° | 24.9° |
| CD2 | CE2 | C24 | H33 | 180.0° | 179.9° |
| CE2 | CD2 | C27 | C26 | 0.5° | 0.5° |
| CD2 | CE2 | C24 | C25 | 1.6° | 0.0° |
| CD2 | CE2 | C24 | H34 | 178.3° | 179.9° |
| CE2 | CD2 | C27 | H36 | 179.5° | 179.7° |
| C27 | CD2 | CE2 | C24 | 0.1° | 0.3° |
| CD2 | C27 | C26 | H36 | 180.0° | 179.8° |
| CD2 | C27 | C26 | C25 | 2.9° | 0.5° |
| C27 | CD2 | CE2 | H33 | 179.9° | 179.8° |
| CD2 | C27 | C26 | H35 | 177.1° | 179.7° |
| CE2 | C24 | C25 | H34 | 180.0° | 179.9° |
| CE2 | C24 | C25 | C26 | 4.5° | 0.0° |
| CE2 | C24 | C25 | BR1 | 174.4° | 180.0° |
| C27 | C26 | C25 | C24 | 5.5° | 0.2° |
| C27 | C26 | C25 | H35 | 180.0° | 179.8° |
| C27 | C26 | C25 | BR1 | 175.8° | 179.8° |
| C20 | C16 | C17 | H19 | 120.8° | 118.7° |
| C16 | C20 | C19 | H26 | 119.8° | 119.3° |
| C16 | C20 | C19 | H27 | 119.8° | 119.3° |
| C20 | C16 | C17 | C18 | 0.4° | 37.9° |
| C16 | C20 | C19 | C18 | 32.9° | 0.0° |
| C20 | C16 | C15 | H18 | 173.2° | 55.0° |
| C20 | C16 | C17 | H20 | 120.0° | 156.3° |
| C20 | C16 | C17 | H21 | 119.3° | 80.4° |
| C16 | C20 | C19 | H24 | 152.1° | 119.3° |
| C16 | C20 | C19 | H25 | 86.5° | 119.3° |
| C16 | C20 | H26 | H27 | 120.7° | 121.5° |
| C17 | C16 | C20 | C19 | 20.4° | 23.6° |
| C16 | C17 | C18 | H20 | 119.7° | 118.4° |
| C16 | C17 | C18 | H21 | 119.7° | 118.3° |
| C16 | C17 | C18 | C19 | 19.0° | 37.9° |
| C17 | C16 | C15 | H18 | 74.7° | 169.8° |
| C16 | C17 | H20 | H21 | 121.0° | 123.3° |
| C16 | C17 | C18 | H22 | 138.2° | 80.7° |
| C16 | C17 | C18 | H23 | 100.3° | 156.8° |
| C17 | C16 | C20 | H26 | 99.4° | 95.7° |
| C17 | C16 | C20 | H27 | 140.2° | 142.9° |
| C20 | C19 | C18 | C17 | 31.7° | 23.6° |
| C20 | C19 | C18 | H24 | 119.3° | 119.2° |
| C20 | C19 | C18 | H25 | 119.3° | 119.4° |
| C19 | C20 | C16 | H19 | 100.0° | 95.2° |
| C20 | C19 | C18 | H22 | 151.0° | 95.0° |
| C20 | C19 | C18 | H23 | 87.7° | 142.4° |
| C20 | C19 | H24 | H25 | 122.1° | 121.4° |
| C19 | C20 | H26 | H27 | 120.7° | 121.4° |
| C24 | C25 | C26 | BR1 | 170.3° | 180.0° |
| C25 | C24 | CE2 | H33 | 178.4° | 180.0° |
| C24 | C25 | C26 | H35 | 174.5° | 180.0° |
| C17 | C18 | C19 | H22 | 119.3° | 118.6° |
| C17 | C18 | C19 | H23 | 119.3° | 118.8° |
| C18 | C17 | C16 | H19 | 120.4° | 80.8° |
| C18 | C17 | H20 | H21 | 120.9° | 123.3° |
| C17 | C18 | H22 | H23 | 122.1° | 122.6° |
| C17 | C18 | C19 | H24 | 151.0° | 142.8° |
| C17 | C18 | C19 | H25 | 87.7° | 95.8° |
| C26 | C25 | C24 | H34 | 175.4° | 180.0° |
| C25 | C26 | C27 | H36 | 177.1° | 179.7° |
| C19 | C18 | C17 | H20 | 100.7° | 156.3° |
| C19 | C18 | C17 | H21 | 138.7° | 80.4° |
| C19 | C18 | H22 | H23 | 122.0° | 122.7° |
| C18 | C19 | H24 | H25 | 122.0° | 121.4° |
| C18 | C19 | C20 | H26 | 86.9° | 119.3° |
| C18 | C19 | C20 | H27 | 152.6° | 119.3° |
| BR1 | C25 | C24 | H34 | 5.6° | 0.1° |
| BR1 | C25 | C26 | H35 | 4.1° | 0.1° |
| H1 | C2 | C10 | H16 | 9.9° | 144.3° |
| H1 | C2 | C10 | H17 | 113.1° | 21.0° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H6 | C6 | H7 | H8 | 120.0° | 120.0° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | C9 | H14 | 94.3° | 160.2° |
| H12 | C8 | C9 | H15 | 25.5° | 36.4° |
| H13 | C8 | C9 | H14 | 28.0° | 37.8° |
| H13 | C8 | C9 | H15 | 147.8° | 86.1° |
| H14 | C9 | C10 | H16 | 22.8° | 158.9° |
| H14 | C9 | C10 | H17 | 100.2° | 35.7° |
| H15 | C9 | C10 | H16 | 142.6° | 35.1° |
| H15 | C9 | C10 | H17 | 19.6° | 88.1° |
| H18 | C15 | C16 | H19 | 51.1° | 67.5° |
| H18 | C15 | N3 | H32 | 176.9° | 144.9° |
| H19 | C16 | C17 | H20 | 0.7° | 37.6° |
| H19 | C16 | C17 | H21 | 119.9° | 160.9° |
| H19 | C16 | C20 | H26 | 140.2° | 145.5° |
| H19 | C16 | C20 | H27 | 19.7° | 24.1° |
| H20 | C17 | C18 | H22 | 18.5° | 37.6° |
| H20 | C17 | C18 | H23 | 140.0° | 84.9° |
| H21 | C17 | C18 | H22 | 102.1° | 161.0° |
| H21 | C17 | C18 | H23 | 19.4° | 38.5° |
| H22 | C18 | C19 | H24 | 89.7° | 24.2° |
| H22 | C18 | C19 | H25 | 31.6° | 145.6° |
| H23 | C18 | C19 | H24 | 31.7° | 98.4° |
| H23 | C18 | C19 | H25 | 153.0° | 23.0° |
| H24 | C19 | C20 | H26 | 32.3° | 121.4° |
| H24 | C19 | C20 | H27 | 88.1° | 0.0° |
| H25 | C19 | C20 | H26 | 153.7° | 0.0° |
| H25 | C19 | C20 | H27 | 33.3° | 121.4° |
| H28 | CE1 | CD1 | H30 | 49.7° | 54.8° |
| H28 | CE1 | CD1 | H31 | 169.4° | 174.8° |
| H29 | CE1 | CD1 | H30 | 67.6° | 65.6° |
| H29 | CE1 | CD1 | H31 | 52.1° | 54.4° |
| H33 | CE2 | C24 | H34 | 1.7° | 0.0° |
| H35 | C26 | C27 | H36 | 2.9° | 0.1° |
| H37 | C28 | C29 | H39 | 67.1° | 65.7° |
| H37 | C28 | C29 | H40 | 171.3° | 54.6° |
| H38 | C28 | C29 | H39 | 50.2° | 54.4° |
| H38 | C28 | C29 | H40 | 71.5° | 174.7° |
