XLI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.25Å | |
| C | CH3 | sing | 1.51Å | 1.49Å | |
| C | N | sing | 1.35Å | 1.35Å | |
| CH3 | H1 | sing | 1.09Å | 1.10Å | |
| CH3 | H2 | sing | 1.09Å | 1.10Å | |
| CH3 | H3 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C1 | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| CB | CG | sing | 1.53Å | 1.56Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.53Å | 1.55Å | |
| CG | CD2 | sing | 1.53Å | 1.54Å | |
| 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 | |
| N1 | CA1 | sing | 1.47Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| CA1 | C2 | sing | 1.51Å | 1.52Å | |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | N2 | sing | 1.35Å | 1.36Å | |
| CB1 | CG1 | sing | 1.53Å | 1.55Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | SD | sing | 1.81Å | 1.81Å | |
| CG1 | HG2 | sing | 1.09Å | 1.10Å | |
| CG1 | HG3 | sing | 1.09Å | 1.10Å | |
| SD | CE | sing | 1.81Å | 1.82Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| N2 | CA2 | sing | 1.47Å | 1.47Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| CA2 | C3 | sing | 1.53Å | 1.57Å | |
| CA2 | CB2 | sing | 1.53Å | 1.55Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | CM | sing | 1.53Å | 1.56Å | |
| CB2 | CG2 | sing | 1.53Å | 1.56Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CB2 | HB32 | sing | 1.09Å | 1.10Å | |
| CG2 | CD11 | sing | 1.53Å | 1.56Å | |
| CG2 | CD21 | sing | 1.53Å | 1.55Å | |
| CG2 | 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 | |
| CM | CA3 | sing | 1.53Å | 1.56Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| CA3 | CB3 | sing | 1.53Å | 1.56Å | |
| CA3 | C4 | sing | 1.51Å | 1.52Å | |
| CA3 | HA3 | sing | 1.09Å | 1.10Å | |
| CB3 | HB1 | sing | 1.09Å | 1.10Å | |
| CB3 | HB23 | sing | 1.09Å | 1.10Å | |
| CB3 | HB33 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | doub | 1.21Å | 1.22Å | |
| C4 | N3 | sing | 1.35Å | 1.36Å | |
| C11 | N3 | sing | 1.47Å | 1.46Å | |
| C11 | C21 | sing | 1.53Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | HN2 | sing | 0.97Å | 1.00Å | |
| C21 | C31 | sing | 1.53Å | 1.55Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | C41 | sing | 1.53Å | 1.56Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C41 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H51 | sing | 1.09Å | 1.10Å | |
| O3 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CH3 | 118.5° | 120.0° |
| O | C | N | 124.6° | 120.0° |
| CH3 | C | N | 116.9° | 120.0° |
| C | CH3 | H1 | 109.5° | 109.5° |
| C | CH3 | H2 | 109.4° | 109.5° |
| C | CH3 | H3 | 109.5° | 109.5° |
| C | N | CA | 119.7° | 119.9° |
| C | N | H | 120.2° | 120.0° |
| H1 | CH3 | H2 | 109.5° | 109.4° |
| H1 | CH3 | H3 | 109.5° | 109.5° |
| H2 | CH3 | H3 | 109.5° | 109.4° |
| CA | N | H | 120.1° | 120.0° |
| N | CA | C1 | 111.3° | 109.6° |
| N | CA | CB | 115.7° | 109.5° |
| N | CA | HA | 105.5° | 109.5° |
| C1 | CA | CB | 114.6° | 109.4° |
| C1 | CA | HA | 106.9° | 109.4° |
| CA | C1 | O1 | 118.3° | 119.9° |
| CA | C1 | N1 | 117.5° | 120.1° |
| CB | CA | HA | 101.4° | 109.4° |
| CA | CB | CG | 118.1° | 109.5° |
| CA | CB | HB2 | 106.7° | 109.5° |
| CA | CB | HB3 | 106.7° | 109.5° |
| O1 | C1 | N1 | 124.2° | 120.0° |
| C1 | N1 | CA1 | 122.2° | 120.0° |
| C1 | N1 | H4 | 118.9° | 120.0° |
| CG | CB | HB2 | 106.7° | 109.4° |
| CG | CB | HB3 | 106.7° | 109.5° |
| CB | CG | CD1 | 111.6° | 109.5° |
| CB | CG | CD2 | 110.3° | 109.5° |
| CB | CG | HG | 107.2° | 109.5° |
| HB2 | CB | HB3 | 112.1° | 109.5° |
| CD1 | CG | CD2 | 108.8° | 109.5° |
| CD1 | CG | HG | 108.8° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.5° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CD2 | CG | HG | 110.1° | 109.4° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.5° | 109.4° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.4° | 109.4° |
| HD11 | CD1 | HD13 | 109.5° | 109.4° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.4° | 109.5° |
| HD21 | CD2 | HD23 | 109.5° | 109.5° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
| CA1 | N1 | H4 | 118.9° | 120.0° |
| N1 | CA1 | C2 | 108.3° | 109.5° |
| N1 | CA1 | CB1 | 113.1° | 109.5° |
| N1 | CA1 | HA1 | 108.5° | 109.4° |
| C2 | CA1 | CB1 | 111.3° | 109.5° |
| C2 | CA1 | HA1 | 110.3° | 109.5° |
| CA1 | C2 | O2 | 120.3° | 120.0° |
| CA1 | C2 | N2 | 117.4° | 120.0° |
| CB1 | CA1 | HA1 | 105.2° | 109.5° |
| CA1 | CB1 | CG1 | 111.7° | 109.5° |
| CA1 | CB1 | HB21 | 108.7° | 109.5° |
| CA1 | CB1 | HB31 | 108.7° | 109.4° |
| O2 | C2 | N2 | 122.3° | 120.0° |
| C2 | N2 | CA2 | 123.1° | 120.0° |
| C2 | N2 | H5 | 118.5° | 120.0° |
| CG1 | CB1 | HB21 | 108.8° | 109.5° |
| CG1 | CB1 | HB31 | 108.8° | 109.5° |
| CB1 | CG1 | SD | 108.3° | 109.5° |
| CB1 | CG1 | HG2 | 109.9° | 109.5° |
| CB1 | CG1 | HG3 | 109.9° | 109.4° |
| HB21 | CB1 | HB31 | 110.2° | 109.5° |
| SD | CG1 | HG2 | 109.9° | 109.5° |
| SD | CG1 | HG3 | 109.9° | 109.5° |
| CG1 | SD | CE | 100.1° | 103.0° |
| HG2 | CG1 | HG3 | 109.1° | 109.4° |
| SD | CE | HE1 | 109.5° | 109.5° |
| SD | CE | HE2 | 109.5° | 109.5° |
| SD | CE | HE3 | 109.5° | 109.5° |
| HE1 | CE | HE2 | 109.5° | 109.5° |
| HE1 | CE | HE3 | 109.4° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.4° |
| CA2 | N2 | H5 | 118.4° | 120.0° |
| N2 | CA2 | C3 | 111.2° | 109.5° |
| N2 | CA2 | CB2 | 110.4° | 109.5° |
| N2 | CA2 | HA2 | 109.3° | 109.5° |
| C3 | CA2 | CB2 | 113.9° | 109.5° |
| C3 | CA2 | HA2 | 105.4° | 109.5° |
| CA2 | C3 | O3 | 110.9° | 109.5° |
| CA2 | C3 | CM | 118.2° | 109.5° |
| CA2 | C3 | H51 | 102.8° | 109.5° |
| CB2 | CA2 | HA2 | 106.4° | 109.5° |
| CA2 | CB2 | CG2 | 116.2° | 109.5° |
| CA2 | CB2 | HB22 | 107.3° | 109.5° |
| CA2 | CB2 | HB32 | 107.3° | 109.5° |
| O3 | C3 | CM | 111.7° | 109.5° |
| O3 | C3 | H51 | 110.7° | 109.5° |
| C3 | O3 | H52 | 109.5° | 114.0° |
| C3 | CM | CA3 | 115.9° | 109.4° |
| C3 | CM | HM2 | 107.4° | 109.5° |
| C3 | CM | HM3 | 107.4° | 109.5° |
| CM | C3 | H51 | 101.8° | 109.5° |
| CG2 | CB2 | HB22 | 107.3° | 109.5° |
| CG2 | CB2 | HB32 | 107.3° | 109.5° |
| CB2 | CG2 | CD11 | 108.3° | 109.5° |
| CB2 | CG2 | CD21 | 113.4° | 109.5° |
| CB2 | CG2 | HG1 | 107.2° | 109.5° |
| HB22 | CB2 | HB32 | 111.5° | 109.4° |
| CD11 | CG2 | CD21 | 108.3° | 109.5° |
| CD11 | CG2 | HG1 | 112.4° | 109.4° |
| CG2 | CD11 | HD14 | 109.5° | 109.4° |
| CG2 | CD11 | HD15 | 109.4° | 109.5° |
| CG2 | CD11 | HD16 | 109.5° | 109.5° |
| CD21 | CG2 | HG1 | 107.3° | 109.4° |
| CG2 | CD21 | HD24 | 109.5° | 109.5° |
| CG2 | CD21 | HD25 | 109.4° | 109.5° |
| CG2 | CD21 | HD26 | 109.4° | 109.4° |
| HD14 | CD11 | HD15 | 109.5° | 109.4° |
| HD14 | CD11 | HD16 | 109.4° | 109.5° |
| HD15 | CD11 | HD16 | 109.5° | 109.5° |
| HD24 | CD21 | HD25 | 109.5° | 109.5° |
| HD24 | CD21 | HD26 | 109.4° | 109.5° |
| HD25 | CD21 | HD26 | 109.5° | 109.4° |
| CA3 | CM | HM2 | 107.4° | 109.5° |
| CA3 | CM | HM3 | 107.4° | 109.5° |
| CM | CA3 | CB3 | 110.3° | 109.5° |
| CM | CA3 | C4 | 113.6° | 109.5° |
| CM | CA3 | HA3 | 105.4° | 109.5° |
| HM2 | CM | HM3 | 111.5° | 109.5° |
| CB3 | CA3 | C4 | 107.5° | 109.5° |
| CB3 | CA3 | HA3 | 111.8° | 109.5° |
| CA3 | CB3 | HB1 | 109.5° | 109.5° |
| CA3 | CB3 | HB23 | 109.5° | 109.5° |
| CA3 | CB3 | HB33 | 109.5° | 109.4° |
| C4 | CA3 | HA3 | 108.3° | 109.5° |
| CA3 | C4 | O4 | 119.3° | 120.0° |
| CA3 | C4 | N3 | 116.7° | 120.0° |
| HB1 | CB3 | HB23 | 109.5° | 109.5° |
| HB1 | CB3 | HB33 | 109.5° | 109.4° |
| HB23 | CB3 | HB33 | 109.5° | 109.5° |
| O4 | C4 | N3 | 123.9° | 120.0° |
| C4 | N3 | C11 | 122.7° | 120.0° |
| C4 | N3 | HN2 | 118.7° | 120.0° |
| N3 | C11 | C21 | 111.7° | 109.5° |
| N3 | C11 | H11 | 108.7° | 109.5° |
| N3 | C11 | H12 | 108.7° | 109.4° |
| C11 | N3 | HN2 | 118.7° | 120.0° |
| C21 | C11 | H11 | 108.7° | 109.5° |
| C21 | C11 | H12 | 108.8° | 109.4° |
| C11 | C21 | C31 | 112.2° | 109.5° |
| C11 | C21 | H21 | 108.5° | 109.5° |
| C11 | C21 | H22 | 108.6° | 109.5° |
| H11 | C11 | H12 | 110.2° | 109.5° |
| C31 | C21 | H21 | 108.6° | 109.5° |
| C31 | C21 | H22 | 108.6° | 109.5° |
| C21 | C31 | C41 | 111.9° | 109.5° |
| C21 | C31 | H31 | 108.7° | 109.5° |
| C21 | C31 | H32 | 108.6° | 109.5° |
| H21 | C21 | H22 | 110.4° | 109.4° |
| C41 | C31 | H31 | 108.7° | 109.5° |
| C41 | C31 | H32 | 108.7° | 109.4° |
| C31 | C41 | H41 | 109.5° | 109.5° |
| C31 | C41 | H42 | 109.4° | 109.5° |
| C31 | C41 | H43 | 109.5° | 109.4° |
| H31 | C31 | H32 | 110.3° | 109.5° |
| H41 | C41 | H42 | 109.5° | 109.5° |
| H41 | C41 | H43 | 109.5° | 109.4° |
| H42 | C41 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CH3 | N | 179.9° | 179.7° |
| O | C | CH3 | H1 | 0.0° | 90.0° |
| O | C | CH3 | H2 | 120.0° | 150.1° |
| O | C | CH3 | H3 | 120.0° | 30.1° |
| O | C | N | CA | 1.0° | 0.1° |
| O | C | N | H | 179.0° | 180.0° |
| C | CH3 | H1 | H2 | 120.0° | 120.0° |
| C | CH3 | H1 | H3 | 120.0° | 120.1° |
| C | CH3 | H2 | H3 | 120.0° | 120.0° |
| CH3 | C | N | CA | 179.1° | 179.8° |
| CH3 | C | N | H | 0.9° | 0.3° |
| N | C | CH3 | H1 | 179.9° | 89.7° |
| N | C | CH3 | H2 | 59.9° | 30.3° |
| N | C | CH3 | H3 | 60.1° | 150.2° |
| C | N | CA | H | 180.0° | 179.9° |
| C | N | CA | C1 | 82.5° | 60.0° |
| C | N | CA | CB | 144.3° | 60.0° |
| C | N | CA | HA | 33.1° | 180.0° |
| H1 | CH3 | H2 | H3 | 120.0° | 120.0° |
| N | CA | C1 | CB | 133.8° | 120.1° |
| N | CA | C1 | HA | 114.7° | 120.0° |
| N | CA | CB | HA | 113.6° | 120.0° |
| N | CA | C1 | O1 | 34.2° | 20.0° |
| N | CA | C1 | N1 | 145.7° | 160.0° |
| N | CA | CB | CG | 66.6° | 64.9° |
| N | CA | CB | HB2 | 173.4° | 55.0° |
| N | CA | CB | HB3 | 53.4° | 175.1° |
| H | N | CA | C1 | 97.5° | 119.9° |
| H | N | CA | CB | 35.7° | 120.0° |
| H | N | CA | HA | 146.9° | 0.1° |
| C1 | CA | CB | HA | 114.7° | 119.9° |
| CA | C1 | O1 | N1 | 179.8° | 180.0° |
| C1 | CA | CB | CG | 65.1° | 175.0° |
| C1 | CA | CB | HB2 | 54.9° | 65.1° |
| C1 | CA | CB | HB3 | 174.9° | 55.0° |
| CA | C1 | N1 | CA1 | 179.6° | 180.0° |
| CA | C1 | N1 | H4 | 0.4° | 0.0° |
| CB | CA | C1 | O1 | 99.6° | 100.1° |
| CB | CA | C1 | N1 | 80.6° | 79.9° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 116.4° | 120.1° |
| CA | CB | CG | CD1 | 60.5° | 175.0° |
| CA | CB | CG | CD2 | 178.5° | 65.0° |
| CA | CB | CG | HG | 58.6° | 54.9° |
| HA | CA | C1 | O1 | 148.9° | 140.1° |
| HA | CA | C1 | N1 | 30.9° | 39.9° |
| HA | CA | CB | CG | 179.8° | 55.1° |
| HA | CA | CB | HB2 | 59.8° | 175.0° |
| HA | CA | CB | HB3 | 60.2° | 64.9° |
| O1 | C1 | N1 | CA1 | 0.2° | 0.0° |
| O1 | C1 | N1 | H4 | 179.8° | 180.0° |
| C1 | N1 | CA1 | H4 | 180.0° | 180.0° |
| C1 | N1 | CA1 | C2 | 123.8° | 155.0° |
| C1 | N1 | CA1 | CB1 | 112.4° | 85.0° |
| C1 | N1 | CA1 | HA1 | 4.0° | 35.0° |
| CG | CB | HB2 | HB3 | 116.5° | 120.0° |
| CB | CG | CD1 | CD2 | 121.9° | 120.0° |
| CB | CG | CD1 | HG | 118.1° | 120.0° |
| CB | CG | CD2 | HG | 118.1° | 120.0° |
| CB | CG | CD1 | HD11 | 180.0° | 60.0° |
| CB | CG | CD1 | HD12 | 60.0° | 180.0° |
| CB | CG | CD1 | HD13 | 60.0° | 60.0° |
| CB | CG | CD2 | HD21 | 180.0° | 180.0° |
| CB | CG | CD2 | HD22 | 60.0° | 60.0° |
| CB | CG | CD2 | HD23 | 60.0° | 60.0° |
| HB2 | CB | CG | CD1 | 179.5° | 55.0° |
| HB2 | CB | CG | CD2 | 58.5° | 175.0° |
| HB2 | CB | CG | HG | 61.4° | 65.0° |
| HB3 | CB | CG | CD1 | 59.5° | 65.0° |
| HB3 | CB | CG | CD2 | 61.5° | 55.0° |
| HB3 | CB | CG | HG | 178.6° | 175.0° |
| CD1 | CG | CD2 | HG | 119.2° | 120.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 57.4° | 60.0° |
| CD1 | CG | CD2 | HD22 | 177.3° | 60.0° |
| CD1 | CG | CD2 | HD23 | 62.7° | 180.0° |
| CD2 | CG | CD1 | HD11 | 58.1° | 60.0° |
| CD2 | CG | CD1 | HD12 | 61.9° | 60.0° |
| CD2 | CG | CD1 | HD13 | 178.1° | 180.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG | CD1 | HD11 | 61.9° | 180.0° |
| HG | CG | CD1 | HD12 | 178.1° | 60.0° |
| HG | CG | CD1 | HD13 | 58.1° | 60.0° |
| HG | CG | CD2 | HD21 | 61.8° | 60.0° |
| HG | CG | CD2 | HD22 | 58.1° | 180.0° |
| HG | CG | CD2 | HD23 | 178.1° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 119.9° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| N1 | CA1 | C2 | CB1 | 124.9° | 120.0° |
| N1 | CA1 | C2 | HA1 | 118.6° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 118.3° | 120.0° |
| N1 | CA1 | C2 | O2 | 108.1° | 0.0° |
| N1 | CA1 | C2 | N2 | 72.1° | 180.0° |
| N1 | CA1 | CB1 | CG1 | 69.2° | 65.0° |
| N1 | CA1 | CB1 | HB21 | 50.8° | 55.0° |
| N1 | CA1 | CB1 | HB31 | 170.8° | 175.0° |
| H4 | N1 | CA1 | C2 | 56.2° | 25.0° |
| H4 | N1 | CA1 | CB1 | 67.6° | 95.0° |
| H4 | N1 | CA1 | HA1 | 176.0° | 145.0° |
| C2 | CA1 | CB1 | HA1 | 119.6° | 120.0° |
| CA1 | C2 | O2 | N2 | 179.7° | 179.9° |
| C2 | CA1 | CB1 | CG1 | 168.7° | 175.0° |
| C2 | CA1 | CB1 | HB21 | 71.3° | 65.0° |
| C2 | CA1 | CB1 | HB31 | 48.7° | 55.0° |
| CA1 | C2 | N2 | CA2 | 179.4° | 175.0° |
| CA1 | C2 | N2 | H5 | 0.6° | 5.0° |
| CB1 | CA1 | C2 | O2 | 16.7° | 120.0° |
| CB1 | CA1 | C2 | N2 | 163.0° | 60.0° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB31 | 120.0° | 119.9° |
| CA1 | CB1 | HB21 | HB31 | 119.1° | 119.9° |
| CA1 | CB1 | CG1 | SD | 166.7° | 180.0° |
| CA1 | CB1 | CG1 | HG2 | 73.3° | 60.0° |
| CA1 | CB1 | CG1 | HG3 | 46.8° | 60.0° |
| HA1 | CA1 | C2 | O2 | 133.2° | 120.0° |
| HA1 | CA1 | C2 | N2 | 46.5° | 60.0° |
| HA1 | CA1 | CB1 | CG1 | 49.1° | 55.0° |
| HA1 | CA1 | CB1 | HB21 | 169.1° | 175.0° |
| HA1 | CA1 | CB1 | HB31 | 70.9° | 65.0° |
| O2 | C2 | N2 | CA2 | 0.9° | 5.1° |
| O2 | C2 | N2 | H5 | 179.1° | 175.0° |
| C2 | N2 | CA2 | H5 | 180.0° | 179.9° |
| C2 | N2 | CA2 | C3 | 101.2° | 150.6° |
| C2 | N2 | CA2 | CB2 | 131.3° | 89.4° |
| C2 | N2 | CA2 | HA2 | 14.7° | 30.5° |
| CG1 | CB1 | HB21 | HB31 | 119.1° | 120.1° |
| CB1 | CG1 | SD | HG2 | 120.0° | 120.1° |
| CB1 | CG1 | SD | HG3 | 120.0° | 120.0° |
| CB1 | CG1 | HG2 | HG3 | 120.5° | 120.0° |
| CB1 | CG1 | SD | CE | 91.9° | 180.0° |
| HB21 | CB1 | CG1 | SD | 46.8° | 60.0° |
| HB21 | CB1 | CG1 | HG2 | 166.7° | 180.0° |
| HB21 | CB1 | CG1 | HG3 | 73.2° | 60.0° |
| HB31 | CB1 | CG1 | SD | 73.3° | 60.1° |
| HB31 | CB1 | CG1 | HG2 | 46.7° | 60.0° |
| HB31 | CB1 | CG1 | HG3 | 166.7° | 180.0° |
| SD | CG1 | HG2 | HG3 | 120.5° | 120.0° |
| CG1 | SD | CE | HE1 | 180.0° | 60.0° |
| CG1 | SD | CE | HE2 | 60.0° | 60.0° |
| CG1 | SD | CE | HE3 | 60.0° | 180.0° |
| HG2 | CG1 | SD | CE | 148.1° | 59.9° |
| HG3 | CG1 | SD | CE | 28.1° | 60.0° |
| SD | CE | HE1 | HE2 | 120.0° | 120.0° |
| SD | CE | HE1 | HE3 | 120.0° | 120.1° |
| SD | CE | HE2 | HE3 | 120.0° | 120.0° |
| HE1 | CE | HE2 | HE3 | 120.0° | 120.0° |
| N2 | CA2 | C3 | CB2 | 125.5° | 120.0° |
| N2 | CA2 | C3 | HA2 | 118.3° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 118.4° | 120.0° |
| N2 | CA2 | C3 | O3 | 75.7° | 60.0° |
| N2 | CA2 | C3 | CM | 55.0° | 60.0° |
| N2 | CA2 | CB2 | CG2 | 59.1° | 174.9° |
| N2 | CA2 | CB2 | HB22 | 60.9° | 54.9° |
| N2 | CA2 | CB2 | HB32 | 179.1° | 65.1° |
| N2 | CA2 | C3 | H51 | 166.0° | 180.0° |
| H5 | N2 | CA2 | C3 | 78.8° | 29.4° |
| H5 | N2 | CA2 | CB2 | 48.7° | 90.6° |
| H5 | N2 | CA2 | HA2 | 165.3° | 149.4° |
| C3 | CA2 | CB2 | HA2 | 115.6° | 120.0° |
| CA2 | C3 | O3 | CM | 134.0° | 120.0° |
| CA2 | C3 | O3 | H51 | 113.4° | 120.0° |
| CA2 | C3 | CM | H51 | 111.6° | 120.0° |
| C3 | CA2 | CB2 | CG2 | 174.9° | 65.1° |
| C3 | CA2 | CB2 | HB22 | 65.1° | 174.9° |
| C3 | CA2 | CB2 | HB32 | 54.9° | 54.9° |
| CA2 | C3 | CM | CA3 | 147.8° | 177.2° |
| CA2 | C3 | CM | HM2 | 92.3° | 62.8° |
| CA2 | C3 | CM | HM3 | 27.8° | 57.2° |
| CA2 | C3 | O3 | H52 | 180.0° | 60.0° |
| CB2 | CA2 | C3 | O3 | 49.8° | 60.0° |
| CB2 | CA2 | C3 | CM | 179.5° | 180.0° |
| CA2 | CB2 | CG2 | HB22 | 120.0° | 120.0° |
| CA2 | CB2 | CG2 | HB32 | 120.0° | 120.0° |
| CA2 | CB2 | HB22 | HB32 | 117.2° | 120.0° |
| CA2 | CB2 | CG2 | CD11 | 176.6° | 65.6° |
| CA2 | CB2 | CG2 | CD21 | 63.1° | 174.4° |
| CA2 | CB2 | CG2 | HG1 | 55.1° | 54.4° |
| CB2 | CA2 | C3 | H51 | 68.5° | 60.0° |
| HA2 | CA2 | C3 | O3 | 165.9° | 180.0° |
| HA2 | CA2 | C3 | CM | 63.4° | 60.0° |
| HA2 | CA2 | CB2 | CG2 | 59.3° | 54.9° |
| HA2 | CA2 | CB2 | HB22 | 179.3° | 65.1° |
| HA2 | CA2 | CB2 | HB32 | 60.7° | 175.0° |
| HA2 | CA2 | C3 | H51 | 47.6° | 60.0° |
| O3 | C3 | CM | H51 | 118.1° | 120.0° |
| O3 | C3 | CM | CA3 | 81.9° | 62.8° |
| O3 | C3 | CM | HM2 | 38.1° | 57.2° |
| O3 | C3 | CM | HM3 | 158.1° | 177.2° |
| C3 | CM | CA3 | HM2 | 120.0° | 120.0° |
| C3 | CM | CA3 | HM3 | 120.0° | 120.0° |
| C3 | CM | HM2 | HM3 | 117.4° | 120.0° |
| C3 | CM | CA3 | CB3 | 156.0° | 173.2° |
| C3 | CM | CA3 | C4 | 83.3° | 66.8° |
| C3 | CM | CA3 | HA3 | 35.2° | 53.2° |
| CM | C3 | O3 | H52 | 46.0° | 60.0° |
| CG2 | CB2 | HB22 | HB32 | 117.3° | 120.0° |
| CB2 | CG2 | CD11 | CD21 | 123.3° | 120.0° |
| CB2 | CG2 | CD11 | HG1 | 118.3° | 120.0° |
| CB2 | CG2 | CD21 | HG1 | 118.2° | 120.0° |
| CB2 | CG2 | CD11 | HD14 | 180.0° | 64.8° |
| CB2 | CG2 | CD11 | HD15 | 60.0° | 175.3° |
| CB2 | CG2 | CD11 | HD16 | 60.0° | 55.2° |
| CB2 | CG2 | CD21 | HD24 | 180.0° | 60.0° |
| CB2 | CG2 | CD21 | HD25 | 60.0° | 180.0° |
| CB2 | CG2 | CD21 | HD26 | 60.0° | 60.0° |
| HB22 | CB2 | CG2 | CD11 | 56.6° | 54.4° |
| HB22 | CB2 | CG2 | CD21 | 176.9° | 65.6° |
| HB22 | CB2 | CG2 | HG1 | 64.9° | 174.4° |
| HB32 | CB2 | CG2 | CD11 | 63.4° | 174.4° |
| HB32 | CB2 | CG2 | CD21 | 56.9° | 54.4° |
| HB32 | CB2 | CG2 | HG1 | 175.1° | 65.6° |
| CD11 | CG2 | CD21 | HG1 | 121.6° | 119.9° |
| CG2 | CD11 | HD14 | HD15 | 120.0° | 120.0° |
| CG2 | CD11 | HD14 | HD16 | 120.0° | 120.0° |
| CG2 | CD11 | HD15 | HD16 | 120.0° | 120.1° |
| CD11 | CG2 | CD21 | HD24 | 59.7° | 180.0° |
| CD11 | CG2 | CD21 | HD25 | 60.3° | 59.9° |
| CD11 | CG2 | CD21 | HD26 | 179.7° | 60.0° |
| CD21 | CG2 | CD11 | HD14 | 56.6° | 55.3° |
| CD21 | CG2 | CD11 | HD15 | 176.6° | 64.7° |
| CD21 | CG2 | CD11 | HD16 | 63.3° | 175.2° |
| CG2 | CD21 | HD24 | HD25 | 120.0° | 120.0° |
| CG2 | CD21 | HD24 | HD26 | 120.0° | 120.0° |
| CG2 | CD21 | HD25 | HD26 | 120.0° | 119.9° |
| HG1 | CG2 | CD11 | HD14 | 61.7° | 175.2° |
| HG1 | CG2 | CD11 | HD15 | 58.3° | 55.3° |
| HG1 | CG2 | CD11 | HD16 | 178.3° | 64.8° |
| HG1 | CG2 | CD21 | HD24 | 61.8° | 60.0° |
| HG1 | CG2 | CD21 | HD25 | 178.2° | 60.0° |
| HG1 | CG2 | CD21 | HD26 | 58.2° | 179.9° |
| HD14 | CD11 | HD15 | HD16 | 120.0° | 120.0° |
| HD24 | CD21 | HD25 | HD26 | 120.0° | 120.1° |
| CA3 | CM | HM2 | HM3 | 117.4° | 120.0° |
| CM | CA3 | CB3 | C4 | 124.4° | 120.0° |
| CM | CA3 | CB3 | HA3 | 116.9° | 120.0° |
| CM | CA3 | C4 | HA3 | 116.8° | 120.0° |
| CM | CA3 | CB3 | HB1 | 180.0° | 175.0° |
| CM | CA3 | CB3 | HB23 | 60.0° | 55.0° |
| CM | CA3 | CB3 | HB33 | 60.0° | 65.0° |
| CM | CA3 | C4 | O4 | 29.2° | 0.0° |
| CM | CA3 | C4 | N3 | 150.8° | 180.0° |
| CA3 | CM | C3 | H51 | 36.2° | 57.2° |
| HM2 | CM | CA3 | CB3 | 36.0° | 53.2° |
| HM2 | CM | CA3 | C4 | 156.7° | 173.2° |
| HM2 | CM | CA3 | HA3 | 84.8° | 66.8° |
| HM2 | CM | C3 | H51 | 156.2° | 177.2° |
| HM3 | CM | CA3 | CB3 | 84.0° | 66.8° |
| HM3 | CM | CA3 | C4 | 36.7° | 53.2° |
| HM3 | CM | CA3 | HA3 | 155.2° | 173.2° |
| HM3 | CM | C3 | H51 | 83.8° | 62.8° |
| CB3 | CA3 | C4 | HA3 | 121.0° | 120.0° |
| CA3 | CB3 | HB1 | HB23 | 120.0° | 120.0° |
| CA3 | CB3 | HB1 | HB33 | 120.0° | 119.9° |
| CA3 | CB3 | HB23 | HB33 | 120.0° | 120.0° |
| CB3 | CA3 | C4 | O4 | 93.0° | 120.0° |
| CB3 | CA3 | C4 | N3 | 87.0° | 60.0° |
| C4 | CA3 | CB3 | HB1 | 55.6° | 64.9° |
| C4 | CA3 | CB3 | HB23 | 175.7° | 175.0° |
| C4 | CA3 | CB3 | HB33 | 64.4° | 55.0° |
| CA3 | C4 | O4 | N3 | 180.0° | 180.0° |
| CA3 | C4 | N3 | C11 | 179.9° | 180.0° |
| CA3 | C4 | N3 | HN2 | 0.2° | 0.1° |
| HA3 | CA3 | CB3 | HB1 | 63.1° | 55.0° |
| HA3 | CA3 | CB3 | HB23 | 56.9° | 65.0° |
| HA3 | CA3 | CB3 | HB33 | 176.9° | 175.0° |
| HA3 | CA3 | C4 | O4 | 146.0° | 120.0° |
| HA3 | CA3 | C4 | N3 | 34.0° | 60.0° |
| HB1 | CB3 | HB23 | HB33 | 120.0° | 120.0° |
| O4 | C4 | N3 | C11 | 0.1° | 0.0° |
| O4 | C4 | N3 | HN2 | 179.8° | 179.9° |
| C4 | N3 | C11 | HN2 | 180.0° | 179.9° |
| C4 | N3 | C11 | C21 | 166.6° | 180.0° |
| C4 | N3 | C11 | H11 | 73.4° | 60.0° |
| C4 | N3 | C11 | H12 | 46.6° | 60.1° |
| N3 | C11 | C21 | H11 | 120.0° | 120.0° |
| N3 | C11 | C21 | H12 | 120.0° | 119.9° |
| N3 | C11 | H11 | H12 | 119.1° | 120.0° |
| N3 | C11 | C21 | C31 | 165.6° | 180.0° |
| N3 | C11 | C21 | H21 | 74.4° | 60.0° |
| N3 | C11 | C21 | H22 | 45.6° | 60.0° |
| C21 | C11 | H11 | H12 | 119.1° | 120.0° |
| C21 | C11 | N3 | HN2 | 13.4° | 0.1° |
| C11 | C21 | C31 | H21 | 120.0° | 120.0° |
| C11 | C21 | C31 | H22 | 120.0° | 120.0° |
| C11 | C21 | H21 | H22 | 118.9° | 120.0° |
| C11 | C21 | C31 | C41 | 72.7° | 180.0° |
| C11 | C21 | C31 | H31 | 167.3° | 60.0° |
| C11 | C21 | C31 | H32 | 47.3° | 60.0° |
| H11 | C11 | N3 | HN2 | 106.6° | 119.9° |
| H11 | C11 | C21 | C31 | 45.6° | 60.0° |
| H11 | C11 | C21 | H21 | 165.6° | 180.0° |
| H11 | C11 | C21 | H22 | 74.5° | 60.0° |
| H12 | C11 | N3 | HN2 | 133.5° | 120.0° |
| H12 | C11 | C21 | C31 | 74.4° | 60.0° |
| H12 | C11 | C21 | H21 | 45.6° | 60.0° |
| H12 | C11 | C21 | H22 | 165.5° | 179.9° |
| C31 | C21 | H21 | H22 | 118.9° | 120.0° |
| C21 | C31 | C41 | H31 | 120.0° | 120.0° |
| C21 | C31 | C41 | H32 | 120.0° | 120.0° |
| C21 | C31 | H31 | H32 | 119.0° | 120.0° |
| C21 | C31 | C41 | H41 | 180.0° | 180.0° |
| C21 | C31 | C41 | H42 | 60.0° | 60.0° |
| C21 | C31 | C41 | H43 | 60.0° | 60.0° |
| H21 | C21 | C31 | C41 | 47.3° | 60.0° |
| H21 | C21 | C31 | H31 | 72.7° | 180.0° |
| H21 | C21 | C31 | H32 | 167.3° | 60.0° |
| H22 | C21 | C31 | C41 | 167.3° | 60.0° |
| H22 | C21 | C31 | H31 | 47.3° | 60.0° |
| H22 | C21 | C31 | H32 | 72.7° | 180.0° |
| C41 | C31 | H31 | H32 | 119.0° | 119.9° |
| C31 | C41 | H41 | H42 | 120.0° | 120.1° |
| C31 | C41 | H41 | H43 | 120.0° | 119.9° |
| C31 | C41 | H42 | H43 | 120.0° | 119.9° |
| H31 | C31 | C41 | H41 | 60.0° | 59.9° |
| H31 | C31 | C41 | H42 | 180.0° | 180.0° |
| H31 | C31 | C41 | H43 | 60.0° | 60.0° |
| H32 | C31 | C41 | H41 | 60.0° | 60.1° |
| H32 | C31 | C41 | H42 | 60.0° | 60.0° |
| H32 | C31 | C41 | H43 | 180.0° | 180.0° |
| H41 | C41 | H42 | H43 | 120.0° | 120.0° |
| H51 | C3 | O3 | H52 | 66.6° | 180.0° |
