LTX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C21 | doub | 1.21Å | 1.25Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C21 | O31 | sing | 1.34Å | 1.25Å | |
| C21 | CA3 | sing | 1.51Å | 1.51Å | |
| CA3 | N3 | sing | 1.46Å | 1.45Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | doub | 1.33Å | 1.34Å | |
| C11 | C10 | sing | 1.46Å | 1.47Å | |
| O1 | C1 | doub | 1.21Å | 1.26Å | |
| O3 | C5 | sing | 1.43Å | 1.43Å | |
| N3 | C22 | sing | 1.35Å | 1.33Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.35Å | 1.34Å | |
| C9 | C8 | sing | 1.46Å | 1.47Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| O33 | C22 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | doub | 1.33Å | 1.34Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C22 | CA2 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O2 | sing | 1.34Å | 1.25Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | doub | 1.31Å | 1.33Å | |
| SG2 | C6 | sing | 1.81Å | 1.78Å | |
| SG2 | CB2 | sing | 1.81Å | 1.76Å | |
| CA2 | CB2 | sing | 1.53Å | 1.53Å | |
| CA2 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | CD1 | sing | 1.35Å | 1.33Å | |
| CD1 | CG1 | sing | 1.51Å | 1.51Å | |
| CD1 | OE1 | doub | 1.21Å | 1.22Å | |
| O11 | C23 | doub | 1.21Å | 1.25Å | |
| CG1 | CB1 | sing | 1.53Å | 1.52Å | |
| N1 | CA1 | sing | 1.47Å | 1.48Å | |
| C23 | O12 | sing | 1.34Å | 1.25Å | |
| C23 | CA1 | sing | 1.51Å | 1.50Å | |
| CB1 | CA1 | sing | 1.53Å | 1.53Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| O31 | H32 | sing | 0.97Å | 0.95Å | |
| CA3 | H33 | sing | 1.09Å | 1.10Å | |
| CA3 | H34 | sing | 1.09Å | 1.10Å | |
| N3 | H35 | sing | 0.97Å | 1.00Å | |
| CA2 | H36 | sing | 1.09Å | 1.10Å | |
| CB2 | H37 | sing | 1.09Å | 1.10Å | |
| CB2 | H38 | sing | 1.09Å | 1.10Å | |
| N2 | H39 | sing | 0.97Å | 1.00Å | |
| CG1 | H40 | sing | 1.09Å | 1.10Å | |
| CG1 | H41 | sing | 1.09Å | 1.10Å | |
| CB1 | H42 | sing | 1.09Å | 1.10Å | |
| CB1 | H43 | sing | 1.09Å | 1.10Å | |
| CA1 | H44 | sing | 1.09Å | 1.10Å | |
| N1 | H45 | sing | 1.01Å | 1.00Å | |
| N1 | H46 | sing | 1.01Å | 1.00Å | |
| O12 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C21 | O31 | 123.5° | 119.9° |
| O32 | C21 | CA3 | 118.0° | 120.0° |
| C20 | C19 | C18 | 110.8° | 109.5° |
| C20 | C19 | H27 | 109.1° | 109.5° |
| C20 | C19 | H28 | 109.1° | 109.5° |
| C19 | C20 | H29 | 109.5° | 109.5° |
| C19 | C20 | H30 | 109.5° | 109.4° |
| C19 | C20 | H31 | 109.5° | 109.4° |
| C19 | C18 | C17 | 112.1° | 109.5° |
| C19 | C18 | H25 | 108.8° | 109.4° |
| C19 | C18 | H26 | 108.8° | 109.5° |
| C18 | C19 | H27 | 109.1° | 109.5° |
| C18 | C19 | H28 | 109.1° | 109.5° |
| O31 | C21 | CA3 | 118.5° | 120.0° |
| C21 | O31 | H32 | 109.5° | 117.0° |
| C21 | CA3 | N3 | 110.3° | 109.5° |
| C21 | CA3 | H33 | 109.3° | 109.5° |
| C21 | CA3 | H34 | 109.3° | 109.5° |
| CA3 | N3 | C22 | 123.5° | 120.0° |
| N3 | CA3 | H33 | 109.3° | 109.5° |
| N3 | CA3 | H34 | 109.2° | 109.5° |
| CA3 | N3 | H35 | 118.2° | 120.0° |
| C18 | C17 | C16 | 109.8° | 109.5° |
| C18 | C17 | H23 | 109.4° | 109.5° |
| C18 | C17 | H24 | 109.4° | 109.5° |
| C17 | C18 | H25 | 108.8° | 109.5° |
| C17 | C18 | H26 | 108.8° | 109.5° |
| C17 | C16 | C15 | 109.9° | 109.5° |
| C17 | C16 | H21 | 109.3° | 109.4° |
| C17 | C16 | H22 | 109.3° | 109.5° |
| C16 | C17 | H23 | 109.4° | 109.5° |
| C16 | C17 | H24 | 109.4° | 109.4° |
| C12 | C11 | C10 | 127.1° | 120.0° |
| C11 | C12 | C13 | 125.3° | 120.0° |
| C12 | C11 | H15 | 116.4° | 120.0° |
| C11 | C12 | H16 | 117.3° | 120.0° |
| C11 | C10 | C9 | 120.1° | 120.0° |
| C11 | C10 | H14 | 120.0° | 120.0° |
| C10 | C11 | H15 | 116.5° | 120.0° |
| O1 | C1 | C2 | 118.9° | 120.0° |
| O1 | C1 | O2 | 122.6° | 120.0° |
| O3 | C5 | C4 | 110.5° | 109.5° |
| O3 | C5 | C6 | 109.4° | 109.5° |
| O3 | C5 | H8 | 109.1° | 109.4° |
| C5 | O3 | H9 | 109.5° | 114.0° |
| N3 | C22 | O33 | 121.3° | 120.0° |
| N3 | C22 | CA2 | 119.5° | 120.0° |
| C22 | N3 | H35 | 118.2° | 120.0° |
| C12 | C13 | C14 | 111.7° | 109.5° |
| C13 | C12 | H16 | 117.3° | 120.0° |
| C12 | C13 | H17 | 108.9° | 109.5° |
| C12 | C13 | H18 | 108.9° | 109.5° |
| C10 | C9 | C8 | 124.1° | 120.0° |
| C10 | C9 | H13 | 118.0° | 120.0° |
| C9 | C10 | H14 | 119.9° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C9 | C8 | H12 | 119.9° | 120.0° |
| C8 | C9 | H13 | 118.0° | 120.0° |
| C16 | C15 | C14 | 122.4° | 120.0° |
| C16 | C15 | H20 | 118.8° | 120.0° |
| C15 | C16 | H21 | 109.4° | 109.5° |
| C15 | C16 | H22 | 109.4° | 109.5° |
| O33 | C22 | CA2 | 119.2° | 120.0° |
| C8 | C7 | C6 | 122.6° | 120.0° |
| C8 | C7 | H11 | 118.7° | 120.0° |
| C7 | C8 | H12 | 119.9° | 120.0° |
| C7 | C6 | C5 | 111.3° | 109.5° |
| C7 | C6 | SG2 | 112.0° | 109.5° |
| C7 | C6 | H10 | 109.9° | 109.5° |
| C6 | C7 | H11 | 118.7° | 120.0° |
| C22 | CA2 | CB2 | 112.8° | 109.5° |
| C22 | CA2 | N2 | 110.5° | 109.5° |
| C22 | CA2 | H36 | 107.0° | 109.5° |
| C2 | C1 | O2 | 118.5° | 120.0° |
| C1 | C2 | C3 | 109.4° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | O2 | H1 | 109.5° | 117.0° |
| C4 | C5 | C6 | 111.8° | 109.5° |
| C5 | C4 | C3 | 110.8° | 109.5° |
| C5 | C4 | H6 | 109.2° | 109.4° |
| C5 | C4 | H7 | 109.1° | 109.5° |
| C4 | C5 | H8 | 108.0° | 109.5° |
| C5 | C6 | SG2 | 106.6° | 109.5° |
| C6 | C5 | H8 | 107.9° | 109.5° |
| C5 | C6 | H10 | 109.9° | 109.5° |
| C4 | C3 | C2 | 110.6° | 109.5° |
| C4 | C3 | H4 | 109.2° | 109.4° |
| C4 | C3 | H5 | 109.2° | 109.5° |
| C3 | C4 | H6 | 109.1° | 109.4° |
| C3 | C4 | H7 | 109.1° | 109.5° |
| C3 | C2 | H2 | 109.5° | 109.4° |
| C3 | C2 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.2° | 109.4° |
| C2 | C3 | H5 | 109.2° | 109.5° |
| C13 | C14 | C15 | 123.9° | 120.0° |
| C14 | C13 | H17 | 108.9° | 109.4° |
| C14 | C13 | H18 | 108.9° | 109.5° |
| C13 | C14 | H19 | 118.1° | 120.0° |
| C15 | C14 | H19 | 118.1° | 120.0° |
| C14 | C15 | H20 | 118.8° | 120.0° |
| C6 | SG2 | CB2 | 99.1° | 103.0° |
| SG2 | C6 | H10 | 107.0° | 109.4° |
| SG2 | CB2 | CA2 | 111.8° | 109.5° |
| SG2 | CB2 | H37 | 108.9° | 109.5° |
| SG2 | CB2 | H38 | 108.9° | 109.5° |
| CB2 | CA2 | N2 | 111.9° | 109.4° |
| CB2 | CA2 | H36 | 106.7° | 109.4° |
| CA2 | CB2 | H37 | 108.9° | 109.5° |
| CA2 | CB2 | H38 | 108.9° | 109.5° |
| CA2 | N2 | CD1 | 121.6° | 120.0° |
| N2 | CA2 | H36 | 107.7° | 109.5° |
| CA2 | N2 | H39 | 119.2° | 120.0° |
| N2 | CD1 | CG1 | 114.4° | 120.0° |
| N2 | CD1 | OE1 | 123.2° | 120.0° |
| CD1 | N2 | H39 | 119.2° | 120.0° |
| CG1 | CD1 | OE1 | 122.4° | 120.0° |
| CD1 | CG1 | CB1 | 111.4° | 109.5° |
| CD1 | CG1 | H40 | 109.0° | 109.5° |
| CD1 | CG1 | H41 | 109.0° | 109.5° |
| O11 | C23 | O12 | 123.2° | 120.0° |
| O11 | C23 | CA1 | 118.4° | 120.0° |
| CG1 | CB1 | CA1 | 109.6° | 109.4° |
| CB1 | CG1 | H40 | 109.0° | 109.5° |
| CB1 | CG1 | H41 | 109.0° | 109.4° |
| CG1 | CB1 | H42 | 109.4° | 109.5° |
| CG1 | CB1 | H43 | 109.4° | 109.5° |
| N1 | CA1 | C23 | 109.1° | 109.5° |
| N1 | CA1 | CB1 | 109.4° | 109.5° |
| N1 | CA1 | H44 | 109.5° | 109.5° |
| CA1 | N1 | H45 | 109.5° | 111.0° |
| CA1 | N1 | H46 | 109.5° | 111.0° |
| O12 | C23 | CA1 | 118.4° | 120.0° |
| C23 | O12 | H48 | 109.5° | 117.0° |
| C23 | CA1 | CB1 | 110.7° | 109.4° |
| C23 | CA1 | H44 | 109.2° | 109.5° |
| CA1 | CB1 | H42 | 109.4° | 109.5° |
| CA1 | CB1 | H43 | 109.4° | 109.4° |
| CB1 | CA1 | H44 | 108.8° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.4° | 109.5° |
| H29 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H33 | CA3 | H34 | 109.5° | 109.4° |
| H37 | CB2 | H38 | 109.5° | 109.4° |
| H40 | CG1 | H41 | 109.5° | 109.5° |
| H42 | CB1 | H43 | 109.5° | 109.5° |
| H45 | N1 | H46 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C21 | O31 | CA3 | 179.8° | 180.0° |
| O32 | C21 | CA3 | N3 | 178.0° | 0.0° |
| O32 | C21 | O31 | H32 | 0.0° | 0.1° |
| O32 | C21 | CA3 | H33 | 57.8° | 120.0° |
| O32 | C21 | CA3 | H34 | 61.9° | 120.1° |
| C20 | C19 | C18 | H27 | 120.2° | 120.0° |
| C20 | C19 | C18 | H28 | 120.2° | 120.0° |
| C20 | C19 | C18 | C17 | 178.5° | 180.0° |
| C20 | C19 | C18 | H25 | 58.1° | 60.0° |
| C20 | C19 | C18 | H26 | 61.1° | 60.0° |
| C20 | C19 | H27 | H28 | 119.4° | 120.0° |
| C19 | C20 | H29 | H30 | 120.0° | 120.0° |
| C19 | C20 | H29 | H31 | 120.0° | 120.0° |
| C19 | C20 | H30 | H31 | 120.0° | 119.9° |
| C19 | C18 | C17 | H25 | 120.4° | 120.0° |
| C19 | C18 | C17 | H26 | 120.4° | 120.0° |
| C19 | C18 | C17 | C16 | 167.6° | 180.0° |
| C19 | C18 | C17 | H23 | 47.6° | 60.0° |
| C19 | C18 | C17 | H24 | 72.3° | 60.0° |
| C19 | C18 | H25 | H26 | 118.8° | 120.0° |
| C18 | C19 | H27 | H28 | 119.4° | 120.0° |
| C18 | C19 | C20 | H29 | 180.0° | 60.0° |
| C18 | C19 | C20 | H30 | 60.0° | 180.0° |
| C18 | C19 | C20 | H31 | 60.0° | 60.0° |
| O31 | C21 | CA3 | N3 | 2.2° | 180.0° |
| O31 | C21 | CA3 | H33 | 122.4° | 60.0° |
| O31 | C21 | CA3 | H34 | 117.9° | 60.0° |
| C21 | CA3 | N3 | H33 | 120.1° | 120.0° |
| C21 | CA3 | N3 | H34 | 120.1° | 120.1° |
| C21 | CA3 | N3 | C22 | 165.1° | 180.0° |
| CA3 | C21 | O31 | H32 | 179.8° | 179.9° |
| C21 | CA3 | H33 | H34 | 119.6° | 120.0° |
| C21 | CA3 | N3 | H35 | 14.9° | 0.0° |
| CA3 | N3 | C22 | H35 | 180.0° | 179.9° |
| CA3 | N3 | C22 | O33 | 0.4° | 0.0° |
| CA3 | N3 | C22 | CA2 | 179.5° | 180.0° |
| N3 | CA3 | H33 | H34 | 119.6° | 120.0° |
| C18 | C17 | C16 | H23 | 120.0° | 120.0° |
| C18 | C17 | C16 | H24 | 120.0° | 120.0° |
| C18 | C17 | C16 | C15 | 171.4° | 180.0° |
| C18 | C17 | C16 | H21 | 51.3° | 60.0° |
| C18 | C17 | C16 | H22 | 68.5° | 60.0° |
| C18 | C17 | H23 | H24 | 119.8° | 120.0° |
| C17 | C18 | H25 | H26 | 118.8° | 120.0° |
| C17 | C18 | C19 | H27 | 61.3° | 60.0° |
| C17 | C18 | C19 | H28 | 58.3° | 60.0° |
| C17 | C16 | C15 | H21 | 120.0° | 120.0° |
| C17 | C16 | C15 | H22 | 120.1° | 120.0° |
| C17 | C16 | C15 | C14 | 145.3° | 127.0° |
| C17 | C16 | C15 | H20 | 34.7° | 53.0° |
| C17 | C16 | H21 | H22 | 119.8° | 120.0° |
| C16 | C17 | H23 | H24 | 119.9° | 120.0° |
| C16 | C17 | C18 | H25 | 72.0° | 60.0° |
| C16 | C17 | C18 | H26 | 47.2° | 60.0° |
| C12 | C11 | C10 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.4° | 175.5° |
| C11 | C12 | C13 | C14 | 79.9° | 125.6° |
| C12 | C11 | C10 | H14 | 1.6° | 4.4° |
| C11 | C12 | C13 | H17 | 159.8° | 114.5° |
| C11 | C12 | C13 | H18 | 40.4° | 5.6° |
| C10 | C11 | C12 | C13 | 0.0° | 6.1° |
| C11 | C10 | C9 | H14 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 179.3° | 180.0° |
| C11 | C10 | C9 | H13 | 0.7° | 0.1° |
| C10 | C11 | C12 | H16 | 180.0° | 173.8° |
| O1 | C1 | C2 | O2 | 179.3° | 180.0° |
| O1 | C1 | C2 | C3 | 73.8° | 0.0° |
| O1 | C1 | O2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 46.2° | 120.0° |
| O1 | C1 | C2 | H3 | 166.2° | 120.1° |
| O3 | C5 | C6 | C7 | 58.9° | 59.3° |
| O3 | C5 | C4 | C6 | 122.2° | 120.0° |
| O3 | C5 | C4 | H8 | 119.3° | 120.0° |
| O3 | C5 | C6 | H8 | 118.6° | 120.0° |
| O3 | C5 | C4 | C3 | 71.2° | 63.0° |
| O3 | C5 | C6 | SG2 | 63.6° | 179.3° |
| O3 | C5 | C4 | H6 | 49.0° | 177.1° |
| O3 | C5 | C4 | H7 | 168.6° | 57.1° |
| O3 | C5 | C6 | H10 | 179.1° | 60.7° |
| N3 | C22 | O33 | CA2 | 179.9° | 180.0° |
| N3 | C22 | CA2 | CB2 | 1.1° | 60.0° |
| N3 | C22 | CA2 | N2 | 124.9° | 180.0° |
| C22 | N3 | CA3 | H33 | 74.7° | 60.0° |
| C22 | N3 | CA3 | H34 | 45.0° | 60.0° |
| N3 | C22 | CA2 | H36 | 118.2° | 60.0° |
| C12 | C13 | C14 | H17 | 120.3° | 120.0° |
| C12 | C13 | C14 | H18 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 76.2° | 127.0° |
| C13 | C12 | C11 | H15 | 179.9° | 173.8° |
| C12 | C13 | H17 | H18 | 119.0° | 120.0° |
| C12 | C13 | C14 | H19 | 103.7° | 53.0° |
| C10 | C9 | C8 | H13 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 168.1° | 180.0° |
| C10 | C9 | C8 | H12 | 11.9° | 0.1° |
| C9 | C10 | C11 | H15 | 1.6° | 4.5° |
| C9 | C8 | C7 | H12 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 179.0° | 180.0° |
| C9 | C8 | C7 | H11 | 1.0° | 0.0° |
| C8 | C9 | C10 | H14 | 0.7° | 0.1° |
| C16 | C15 | C14 | C13 | 0.7° | 7.1° |
| C16 | C15 | C14 | H20 | 180.0° | 180.0° |
| C16 | C15 | C14 | H19 | 179.4° | 172.9° |
| C15 | C16 | H21 | H22 | 119.8° | 120.0° |
| C15 | C16 | C17 | H23 | 68.6° | 60.0° |
| C15 | C16 | C17 | H24 | 51.3° | 60.0° |
| O33 | C22 | CA2 | CB2 | 178.8° | 120.0° |
| O33 | C22 | CA2 | N2 | 55.2° | 0.0° |
| O33 | C22 | N3 | H35 | 179.6° | 180.0° |
| O33 | C22 | CA2 | H36 | 61.8° | 120.0° |
| C8 | C7 | C6 | H11 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 115.0° | 120.0° |
| C8 | C7 | C6 | SG2 | 125.8° | 120.0° |
| C8 | C7 | C6 | H10 | 7.0° | 0.0° |
| C7 | C8 | C9 | H13 | 11.9° | 0.1° |
| C7 | C6 | C5 | C4 | 63.9° | 179.3° |
| C7 | C6 | C5 | SG2 | 122.4° | 120.0° |
| C7 | C6 | C5 | H10 | 122.0° | 120.0° |
| C7 | C6 | SG2 | H10 | 120.5° | 120.0° |
| C7 | C6 | SG2 | CB2 | 64.8° | 65.9° |
| C7 | C6 | C5 | H8 | 177.5° | 60.7° |
| C6 | C7 | C8 | H12 | 1.0° | 0.0° |
| C22 | CA2 | CB2 | SG2 | 80.3° | 180.0° |
| C22 | CA2 | CB2 | N2 | 125.3° | 120.0° |
| C22 | CA2 | CB2 | H36 | 117.2° | 120.0° |
| C22 | CA2 | N2 | H36 | 116.5° | 120.1° |
| C22 | CA2 | N2 | CD1 | 130.2° | 85.0° |
| CA2 | C22 | N3 | H35 | 0.5° | 0.0° |
| C22 | CA2 | CB2 | H37 | 159.3° | 59.9° |
| C22 | CA2 | CB2 | H38 | 40.0° | 60.0° |
| C22 | CA2 | N2 | H39 | 49.8° | 94.9° |
| C1 | C2 | C3 | C4 | 45.5° | 180.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 120.0° | 120.1° |
| C2 | C1 | O2 | H1 | 179.2° | 180.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 165.6° | 60.0° |
| C1 | C2 | C3 | H5 | 74.7° | 59.9° |
| O2 | C1 | C2 | C3 | 106.9° | 179.9° |
| O2 | C1 | C2 | H2 | 133.1° | 60.0° |
| O2 | C1 | C2 | H3 | 13.1° | 60.0° |
| C4 | C5 | C6 | H8 | 118.6° | 120.0° |
| C5 | C4 | C3 | H6 | 120.2° | 119.9° |
| C5 | C4 | C3 | H7 | 120.2° | 120.1° |
| C5 | C4 | C3 | C2 | 169.0° | 180.0° |
| C4 | C5 | C6 | SG2 | 173.7° | 60.7° |
| C5 | C4 | C3 | H4 | 48.8° | 60.0° |
| C5 | C4 | C3 | H5 | 70.8° | 59.9° |
| C5 | C4 | H6 | H7 | 119.4° | 120.1° |
| C4 | C5 | O3 | H9 | 180.0° | 60.0° |
| C4 | C5 | C6 | H10 | 58.1° | 59.3° |
| C6 | C5 | C4 | C3 | 166.6° | 177.0° |
| C5 | C6 | SG2 | H10 | 117.5° | 120.0° |
| C5 | C6 | SG2 | CB2 | 173.2° | 174.1° |
| C6 | C5 | C4 | H6 | 73.2° | 57.1° |
| C6 | C5 | C4 | H7 | 46.4° | 62.9° |
| C6 | C5 | O3 | H9 | 56.4° | 60.0° |
| C5 | C6 | C7 | H11 | 65.1° | 60.0° |
| C4 | C3 | C2 | H4 | 120.2° | 120.0° |
| C4 | C3 | C2 | H5 | 120.2° | 120.1° |
| C4 | C3 | C2 | H2 | 165.5° | 60.0° |
| C4 | C3 | C2 | H3 | 74.5° | 59.9° |
| C4 | C3 | H4 | H5 | 119.5° | 120.0° |
| C3 | C4 | H6 | H7 | 119.4° | 120.0° |
| C3 | C4 | C5 | H8 | 48.0° | 57.0° |
| C3 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C3 | H4 | H5 | 119.5° | 120.0° |
| C2 | C3 | C4 | H6 | 70.8° | 60.1° |
| C2 | C3 | C4 | H7 | 48.8° | 59.9° |
| C13 | C14 | C15 | H19 | 180.0° | 180.0° |
| C14 | C13 | C12 | H16 | 100.2° | 54.4° |
| C14 | C13 | H17 | H18 | 119.0° | 120.0° |
| C13 | C14 | C15 | H20 | 179.3° | 172.9° |
| C15 | C14 | C13 | H17 | 44.1° | 7.0° |
| C15 | C14 | C13 | H18 | 163.5° | 113.0° |
| C14 | C15 | C16 | H21 | 94.6° | 113.1° |
| C14 | C15 | C16 | H22 | 25.3° | 6.9° |
| C6 | SG2 | CB2 | CA2 | 173.1° | 174.9° |
| SG2 | C6 | C5 | H8 | 55.1° | 59.3° |
| SG2 | C6 | C7 | H11 | 54.2° | 60.0° |
| C6 | SG2 | CB2 | H37 | 66.5° | 65.0° |
| C6 | SG2 | CB2 | H38 | 52.8° | 54.9° |
| SG2 | CB2 | CA2 | H37 | 120.4° | 120.1° |
| SG2 | CB2 | CA2 | H38 | 120.3° | 120.0° |
| SG2 | CB2 | CA2 | N2 | 45.0° | 60.0° |
| CB2 | SG2 | C6 | H10 | 55.7° | 54.1° |
| SG2 | CB2 | CA2 | H36 | 162.5° | 60.0° |
| SG2 | CB2 | H37 | H38 | 118.9° | 120.0° |
| CB2 | CA2 | N2 | H36 | 116.9° | 119.9° |
| CB2 | CA2 | N2 | CD1 | 103.2° | 155.0° |
| CA2 | CB2 | H37 | H38 | 119.0° | 120.0° |
| CB2 | CA2 | N2 | H39 | 76.8° | 25.1° |
| CA2 | N2 | CD1 | H39 | 180.0° | 179.9° |
| CA2 | N2 | CD1 | CG1 | 159.8° | 180.0° |
| CA2 | N2 | CD1 | OE1 | 20.7° | 0.1° |
| N2 | CA2 | CB2 | H37 | 75.4° | 60.1° |
| N2 | CA2 | CB2 | H38 | 165.3° | 180.0° |
| N2 | CD1 | CG1 | OE1 | 179.5° | 180.0° |
| N2 | CD1 | CG1 | CB1 | 166.6° | 179.9° |
| CD1 | N2 | CA2 | H36 | 13.7° | 35.1° |
| N2 | CD1 | CG1 | H40 | 73.1° | 60.1° |
| N2 | CD1 | CG1 | H41 | 46.3° | 60.0° |
| CD1 | CG1 | CB1 | H40 | 120.3° | 120.0° |
| CD1 | CG1 | CB1 | H41 | 120.3° | 120.0° |
| CD1 | CG1 | CB1 | CA1 | 159.4° | 180.0° |
| CG1 | CD1 | N2 | H39 | 20.2° | 0.1° |
| CD1 | CG1 | H40 | H41 | 119.1° | 120.1° |
| CD1 | CG1 | CB1 | H42 | 39.3° | 60.0° |
| CD1 | CG1 | CB1 | H43 | 80.6° | 60.0° |
| OE1 | CD1 | CG1 | CB1 | 12.9° | 0.0° |
| OE1 | CD1 | N2 | H39 | 159.3° | 179.9° |
| OE1 | CD1 | CG1 | H40 | 107.4° | 120.0° |
| OE1 | CD1 | CG1 | H41 | 133.2° | 120.0° |
| O11 | C23 | CA1 | N1 | 3.3° | 20.0° |
| O11 | C23 | O12 | CA1 | 179.6° | 180.0° |
| O11 | C23 | CA1 | CB1 | 123.8° | 100.0° |
| O11 | C23 | CA1 | H44 | 116.4° | 140.0° |
| O11 | C23 | O12 | H48 | 0.0° | 0.0° |
| CG1 | CB1 | CA1 | N1 | 49.7° | 65.0° |
| CG1 | CB1 | CA1 | C23 | 70.6° | 175.0° |
| CG1 | CB1 | CA1 | H42 | 120.1° | 120.0° |
| CG1 | CB1 | CA1 | H43 | 120.0° | 120.0° |
| CB1 | CG1 | H40 | H41 | 119.1° | 119.9° |
| CG1 | CB1 | H42 | H43 | 119.9° | 120.0° |
| CG1 | CB1 | CA1 | H44 | 169.3° | 55.0° |
| N1 | CA1 | C23 | O12 | 177.1° | 160.0° |
| N1 | CA1 | C23 | CB1 | 120.5° | 120.0° |
| N1 | CA1 | C23 | H44 | 119.7° | 120.0° |
| N1 | CA1 | CB1 | H44 | 119.6° | 120.0° |
| N1 | CA1 | CB1 | H42 | 70.4° | 175.0° |
| N1 | CA1 | CB1 | H43 | 169.7° | 55.0° |
| CA1 | N1 | H45 | H46 | 120.0° | 124.0° |
| O12 | C23 | CA1 | CB1 | 56.6° | 80.0° |
| O12 | C23 | CA1 | H44 | 63.2° | 40.0° |
| C23 | CA1 | CB1 | H44 | 120.0° | 120.0° |
| C23 | CA1 | CB1 | H42 | 169.3° | 55.0° |
| C23 | CA1 | CB1 | H43 | 49.4° | 65.0° |
| C23 | CA1 | N1 | H45 | 180.0° | 60.0° |
| C23 | CA1 | N1 | H46 | 60.0° | 176.0° |
| CA1 | C23 | O12 | H48 | 179.6° | 180.0° |
| CA1 | CB1 | CG1 | H40 | 80.3° | 60.0° |
| CA1 | CB1 | CG1 | H41 | 39.1° | 60.0° |
| CA1 | CB1 | H42 | H43 | 119.9° | 120.0° |
| CB1 | CA1 | N1 | H45 | 58.7° | 60.0° |
| CB1 | CA1 | N1 | H46 | 178.7° | 64.0° |
| H2 | C2 | C3 | H4 | 74.3° | 180.0° |
| H2 | C2 | C3 | H5 | 45.3° | 60.1° |
| H3 | C2 | C3 | H4 | 45.7° | 60.1° |
| H3 | C2 | C3 | H5 | 165.3° | 180.0° |
| H4 | C3 | C4 | H6 | 169.0° | 180.0° |
| H4 | C3 | C4 | H7 | 71.4° | 60.0° |
| H5 | C3 | C4 | H6 | 49.4° | 60.0° |
| H5 | C3 | C4 | H7 | 169.0° | 180.0° |
| H6 | C4 | C5 | H8 | 168.2° | 62.9° |
| H7 | C4 | C5 | H8 | 72.1° | 177.0° |
| H8 | C5 | O3 | H9 | 61.4° | 180.0° |
| H8 | C5 | C6 | H10 | 60.5° | 179.3° |
| H10 | C6 | C7 | H11 | 173.0° | 180.0° |
| H11 | C7 | C8 | H12 | 179.0° | 179.9° |
| H12 | C8 | C9 | H13 | 168.1° | 180.0° |
| H13 | C9 | C10 | H14 | 179.3° | NaN° |
| H14 | C10 | C11 | H15 | 178.4° | 175.6° |
| H15 | C11 | C12 | H16 | 0.0° | 6.2° |
| H16 | C12 | C13 | H17 | 20.2° | 65.5° |
| H16 | C12 | C13 | H18 | 139.5° | 174.5° |
| H17 | C13 | C14 | H19 | 135.9° | 173.0° |
| H18 | C13 | C14 | H19 | 16.6° | 67.0° |
| H19 | C14 | C15 | H20 | 0.6° | 7.1° |
| H20 | C15 | C16 | H21 | 85.4° | 67.0° |
| H20 | C15 | C16 | H22 | 154.7° | 173.0° |
| H21 | C16 | C17 | H23 | 171.4° | 180.0° |
| H21 | C16 | C17 | H24 | 68.7° | 60.0° |
| H22 | C16 | C17 | H23 | 51.5° | 60.0° |
| H22 | C16 | C17 | H24 | 171.4° | 180.0° |
| H23 | C17 | C18 | H25 | 167.9° | 180.0° |
| H23 | C17 | C18 | H26 | 72.9° | 60.0° |
| H24 | C17 | C18 | H25 | 48.0° | 60.0° |
| H24 | C17 | C18 | H26 | 167.3° | 180.0° |
| H25 | C18 | C19 | H27 | 178.3° | 180.0° |
| H25 | C18 | C19 | H28 | 62.1° | 60.0° |
| H26 | C18 | C19 | H27 | 59.1° | 60.0° |
| H26 | C18 | C19 | H28 | 178.7° | 179.9° |
| H27 | C19 | C20 | H29 | 59.8° | 59.9° |
| H27 | C19 | C20 | H30 | 60.2° | 60.0° |
| H27 | C19 | C20 | H31 | 179.8° | 180.0° |
| H28 | C19 | C20 | H29 | 59.8° | 180.0° |
| H28 | C19 | C20 | H30 | 179.8° | 60.0° |
| H28 | C19 | C20 | H31 | 60.2° | 60.0° |
| H29 | C20 | H30 | H31 | 120.0° | 120.1° |
| H33 | CA3 | N3 | H35 | 105.3° | 120.0° |
| H34 | CA3 | N3 | H35 | 135.0° | 120.1° |
| H36 | CA2 | CB2 | H37 | 42.1° | 180.0° |
| H36 | CA2 | CB2 | H38 | 77.2° | 60.0° |
| H36 | CA2 | N2 | H39 | 166.3° | 145.0° |
| H40 | CG1 | CB1 | H42 | 159.7° | 180.0° |
| H40 | CG1 | CB1 | H43 | 39.7° | 60.0° |
| H41 | CG1 | CB1 | H42 | 80.9° | 60.0° |
| H41 | CG1 | CB1 | H43 | 159.1° | 180.0° |
| H42 | CB1 | CA1 | H44 | 49.3° | 65.0° |
| H43 | CB1 | CA1 | H44 | 70.6° | 175.0° |
| H44 | CA1 | N1 | H45 | 60.5° | 180.0° |
| H44 | CA1 | N1 | H46 | 59.5° | 56.0° |
