LOV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | C1G | sing | 1.53Å | 1.51Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | C1G | sing | 1.53Å | 1.52Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| C1G | C1B | sing | 1.53Å | 1.54Å | |
| C1G | H1G | sing | 1.09Å | 1.10Å | |
| C1B | CA | sing | 1.53Å | 1.53Å | |
| C1B | H1B1 | sing | 1.09Å | 1.10Å | |
| C1B | H1B2 | sing | 1.09Å | 1.10Å | |
| CA | CS | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CS | OS | sing | 1.43Å | 1.40Å | |
| CS | CT | sing | 1.53Å | 1.55Å | |
| CS | HS1 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OS | HOS | sing | 0.97Å | 0.95Å | |
| CT | C1 | sing | 1.53Å | 1.53Å | |
| CT | HT1 | sing | 1.09Å | 1.10Å | |
| CT | HT2 | sing | 1.09Å | 1.10Å | |
| C1 | CB | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| CB | CG1 | sing | 1.53Å | 1.56Å | |
| CB | CG2 | sing | 1.53Å | 1.52Å | |
| CB | 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 | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1G | CD1 | HD11 | 109.5° | 109.5° |
| C1G | CD1 | HD12 | 109.4° | 109.5° |
| C1G | CD1 | HD13 | 109.5° | 109.5° |
| CD1 | C1G | CD2 | 113.6° | 109.5° |
| CD1 | C1G | C1B | 115.0° | 109.5° |
| CD1 | C1G | H1G | 102.2° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.4° | 109.4° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| C1G | CD2 | HD21 | 109.5° | 109.5° |
| C1G | CD2 | HD22 | 109.5° | 109.5° |
| C1G | CD2 | HD23 | 109.5° | 109.5° |
| CD2 | C1G | C1B | 108.9° | 109.4° |
| CD2 | C1G | H1G | 109.2° | 109.4° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HD21 | CD2 | HD23 | 109.4° | 109.4° |
| HD22 | CD2 | HD23 | 109.5° | 109.4° |
| C1B | C1G | H1G | 107.5° | 109.4° |
| C1G | C1B | CA | 115.4° | 109.5° |
| C1G | C1B | H1B1 | 107.6° | 109.4° |
| C1G | C1B | H1B2 | 107.5° | 109.5° |
| CA | C1B | H1B1 | 107.5° | 109.5° |
| CA | C1B | H1B2 | 107.5° | 109.5° |
| C1B | CA | CS | 113.1° | 109.5° |
| C1B | CA | N | 108.8° | 109.5° |
| C1B | CA | HA | 107.1° | 109.5° |
| H1B1 | C1B | H1B2 | 111.3° | 109.5° |
| CS | CA | N | 108.5° | 109.5° |
| CS | CA | HA | 107.5° | 109.5° |
| CA | CS | OS | 110.7° | 109.4° |
| CA | CS | CT | 109.6° | 109.4° |
| CA | CS | HS1 | 108.5° | 109.5° |
| N | CA | HA | 111.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| OS | CS | CT | 109.1° | 109.4° |
| OS | CS | HS1 | 108.9° | 109.5° |
| CS | OS | HOS | 109.5° | 114.0° |
| CT | CS | HS1 | 110.0° | 109.5° |
| CS | CT | C1 | 111.5° | 109.4° |
| CS | CT | HT1 | 108.8° | 109.5° |
| CS | CT | HT2 | 108.8° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| C1 | CT | HT1 | 108.8° | 109.5° |
| C1 | CT | HT2 | 108.8° | 109.4° |
| CT | C1 | CB | 111.8° | 109.5° |
| CT | C1 | C | 109.6° | 109.5° |
| CT | C1 | H1 | 107.7° | 109.4° |
| HT1 | CT | HT2 | 110.1° | 109.5° |
| CB | C1 | C | 109.2° | 109.4° |
| CB | C1 | H1 | 108.1° | 109.5° |
| C1 | CB | CG1 | 111.4° | 109.5° |
| C1 | CB | CG2 | 111.9° | 109.5° |
| C1 | CB | HB | 105.9° | 109.5° |
| C | C1 | H1 | 110.4° | 109.5° |
| C1 | C | O | 121.6° | 120.0° |
| C1 | C | OXT | 114.1° | 120.0° |
| CG1 | CB | CG2 | 107.8° | 109.5° |
| CG1 | CB | HB | 110.2° | 109.5° |
| CB | CG1 | HG11 | 109.5° | 109.5° |
| CB | CG1 | HG12 | 109.5° | 109.5° |
| CB | CG1 | HG13 | 109.4° | 109.5° |
| CG2 | CB | HB | 109.7° | 109.4° |
| CB | CG2 | HG21 | 109.5° | 109.4° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.5° | 109.5° |
| HG11 | CG1 | HG13 | 109.5° | 109.4° |
| HG12 | CG1 | HG13 | 109.5° | 109.4° |
| HG21 | CG2 | HG22 | 109.4° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.4° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| O | C | OXT | 124.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1G | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| C1G | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| C1G | CD1 | HD12 | HD13 | 120.0° | 120.1° |
| CD1 | C1G | CD2 | C1B | 129.6° | 120.0° |
| CD1 | C1G | CD2 | H1G | 113.3° | 120.1° |
| CD1 | C1G | CD2 | HD21 | 180.0° | 59.9° |
| CD1 | C1G | CD2 | HD22 | 60.0° | 180.0° |
| CD1 | C1G | CD2 | HD23 | 60.0° | 60.0° |
| CD1 | C1G | C1B | H1G | 113.1° | 120.1° |
| CD1 | C1G | C1B | CA | 57.9° | 175.0° |
| CD1 | C1G | C1B | H1B1 | 62.1° | 65.0° |
| CD1 | C1G | C1B | H1B2 | 177.9° | 55.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 119.9° |
| HD11 | CD1 | C1G | CD2 | 180.0° | 60.0° |
| HD11 | CD1 | C1G | C1B | 53.6° | 180.0° |
| HD11 | CD1 | C1G | H1G | 62.5° | 60.0° |
| HD12 | CD1 | C1G | CD2 | 60.0° | 180.0° |
| HD12 | CD1 | C1G | C1B | 173.6° | 60.0° |
| HD12 | CD1 | C1G | H1G | 57.4° | 60.0° |
| HD13 | CD1 | C1G | CD2 | 60.0° | 59.9° |
| HD13 | CD1 | C1G | C1B | 66.4° | 60.0° |
| HD13 | CD1 | C1G | H1G | 177.5° | 180.0° |
| C1G | CD2 | HD21 | HD22 | 120.0° | 120.1° |
| C1G | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| C1G | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| CD2 | C1G | C1B | H1G | 118.2° | 119.9° |
| CD2 | C1G | C1B | CA | 173.3° | 65.0° |
| CD2 | C1G | C1B | H1B1 | 66.7° | 55.0° |
| CD2 | C1G | C1B | H1B2 | 53.3° | 175.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 119.9° |
| HD21 | CD2 | C1G | C1B | 50.4° | 60.1° |
| HD21 | CD2 | C1G | H1G | 66.7° | 180.0° |
| HD22 | CD2 | C1G | C1B | 69.6° | 60.0° |
| HD22 | CD2 | C1G | H1G | 173.3° | 59.9° |
| HD23 | CD2 | C1G | C1B | 170.4° | 180.0° |
| HD23 | CD2 | C1G | H1G | 53.3° | 60.1° |
| C1G | C1B | CA | H1B1 | 120.0° | 120.0° |
| C1G | C1B | CA | H1B2 | 120.0° | 120.0° |
| C1G | C1B | H1B1 | H1B2 | 117.6° | 120.0° |
| C1G | C1B | CA | CS | 169.5° | 175.0° |
| C1G | C1B | CA | N | 69.8° | 65.0° |
| C1G | C1B | CA | HA | 51.3° | 55.0° |
| H1G | C1G | C1B | CA | 55.1° | 54.9° |
| H1G | C1G | C1B | H1B1 | 175.2° | 175.0° |
| H1G | C1G | C1B | H1B2 | 64.9° | 65.1° |
| CA | C1B | H1B1 | H1B2 | 117.6° | 120.1° |
| C1B | CA | CS | N | 120.9° | 120.0° |
| C1B | CA | CS | HA | 118.0° | 120.0° |
| C1B | CA | N | HA | 118.1° | 120.0° |
| C1B | CA | CS | OS | 54.1° | 60.0° |
| C1B | CA | CS | CT | 174.6° | 180.0° |
| C1B | CA | CS | HS1 | 65.3° | 60.0° |
| C1B | CA | N | H | 180.0° | 60.0° |
| C1B | CA | N | H2 | 60.0° | 64.0° |
| H1B1 | C1B | CA | CS | 49.5° | 55.0° |
| H1B1 | C1B | CA | N | 170.2° | 175.1° |
| H1B1 | C1B | CA | HA | 68.7° | 64.9° |
| H1B2 | C1B | CA | CS | 70.5° | 65.0° |
| H1B2 | C1B | CA | N | 50.2° | 55.0° |
| H1B2 | C1B | CA | HA | 171.3° | 175.0° |
| CS | CA | N | HA | 118.4° | 120.0° |
| CA | CS | OS | CT | 120.7° | 119.9° |
| CA | CS | OS | HS1 | 119.2° | 120.0° |
| CA | CS | CT | HS1 | 119.2° | 120.0° |
| CS | CA | N | H | 56.5° | 60.0° |
| CS | CA | N | H2 | 63.5° | 176.0° |
| CA | CS | OS | HOS | 180.0° | 59.9° |
| CA | CS | CT | C1 | 149.9° | 175.0° |
| CA | CS | CT | HT1 | 90.1° | 65.0° |
| CA | CS | CT | HT2 | 29.9° | 55.1° |
| N | CA | CS | OS | 66.7° | 60.0° |
| N | CA | CS | CT | 53.7° | 60.0° |
| N | CA | CS | HS1 | 173.8° | 180.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| HA | CA | CS | OS | 172.1° | 180.0° |
| HA | CA | CS | CT | 67.4° | 60.1° |
| HA | CA | CS | HS1 | 52.7° | 60.0° |
| HA | CA | N | H | 61.9° | 180.0° |
| HA | CA | N | H2 | 178.1° | 56.0° |
| OS | CS | CT | HS1 | 119.4° | 120.0° |
| OS | CS | CT | C1 | 88.8° | 65.1° |
| OS | CS | CT | HT1 | 31.2° | 54.9° |
| OS | CS | CT | HT2 | 151.2° | 175.0° |
| CT | CS | OS | HOS | 59.3° | 60.0° |
| CS | CT | C1 | HT1 | 120.0° | 120.0° |
| CS | CT | C1 | HT2 | 120.0° | 119.9° |
| CS | CT | HT1 | HT2 | 119.2° | 120.1° |
| CS | CT | C1 | CB | 158.8° | 175.0° |
| CS | CT | C1 | C | 80.0° | 65.0° |
| CS | CT | C1 | H1 | 40.1° | 55.0° |
| HS1 | CS | OS | HOS | 60.8° | 180.0° |
| HS1 | CS | CT | C1 | 30.7° | 55.0° |
| HS1 | CS | CT | HT1 | 150.7° | 175.0° |
| HS1 | CS | CT | HT2 | 89.3° | 64.9° |
| C1 | CT | HT1 | HT2 | 119.1° | 120.0° |
| CT | C1 | CB | C | 121.5° | 120.0° |
| CT | C1 | CB | H1 | 118.4° | 120.0° |
| CT | C1 | C | H1 | 118.4° | 120.0° |
| CT | C1 | CB | CG1 | 47.4° | 180.0° |
| CT | C1 | CB | CG2 | 73.4° | 60.0° |
| CT | C1 | CB | HB | 167.2° | 60.0° |
| CT | C1 | C | O | 33.3° | 0.0° |
| CT | C1 | C | OXT | 148.0° | 180.0° |
| HT1 | CT | C1 | CB | 38.7° | 55.0° |
| HT1 | CT | C1 | C | 160.0° | 175.0° |
| HT1 | CT | C1 | H1 | 79.9° | 65.0° |
| HT2 | CT | C1 | CB | 81.2° | 65.0° |
| HT2 | CT | C1 | C | 40.0° | 55.0° |
| HT2 | CT | C1 | H1 | 160.1° | 175.0° |
| CB | C1 | C | H1 | 118.7° | 120.0° |
| C1 | CB | CG1 | CG2 | 123.1° | 120.0° |
| C1 | CB | CG1 | HB | 117.2° | 120.0° |
| C1 | CB | CG2 | HB | 117.2° | 120.0° |
| C1 | CB | CG1 | HG11 | 180.0° | 60.0° |
| C1 | CB | CG1 | HG12 | 60.0° | 180.0° |
| C1 | CB | CG1 | HG13 | 60.0° | 60.0° |
| C1 | CB | CG2 | HG21 | 180.0° | 60.0° |
| C1 | CB | CG2 | HG22 | 60.0° | 60.0° |
| C1 | CB | CG2 | HG23 | 60.0° | 180.0° |
| CB | C1 | C | O | 89.5° | 120.0° |
| CB | C1 | C | OXT | 89.2° | 60.0° |
| C | C1 | CB | CG1 | 74.1° | 60.0° |
| C | C1 | CB | CG2 | 165.1° | 180.0° |
| C | C1 | CB | HB | 45.7° | 60.0° |
| C1 | C | O | OXT | 178.5° | 179.9° |
| C1 | C | OXT | HXT | 178.6° | 180.0° |
| H1 | C1 | CB | CG1 | 165.7° | 60.0° |
| H1 | C1 | CB | CG2 | 45.0° | 60.0° |
| H1 | C1 | CB | HB | 74.5° | NaN° |
| H1 | C1 | C | O | 151.8° | 119.9° |
| H1 | C1 | C | OXT | 29.6° | 60.0° |
| CG1 | CB | CG2 | HB | 119.9° | 120.0° |
| CB | CG1 | HG11 | HG12 | 120.0° | 120.1° |
| CB | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| CG1 | CB | CG2 | HG21 | 57.2° | 60.0° |
| CG1 | CB | CG2 | HG22 | 177.1° | 180.0° |
| CG1 | CB | CG2 | HG23 | 62.8° | 59.9° |
| CG2 | CB | CG1 | HG11 | 56.9° | 60.1° |
| CG2 | CB | CG1 | HG12 | 63.2° | 60.0° |
| CG2 | CB | CG1 | HG13 | 176.8° | 180.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 119.9° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HB | CB | CG1 | HG11 | 62.7° | 180.0° |
| HB | CB | CG1 | HG12 | 177.2° | 60.0° |
| HB | CB | CG1 | HG13 | 57.2° | 60.0° |
| HB | CB | CG2 | HG21 | 62.7° | 179.9° |
| HB | CB | CG2 | HG22 | 57.2° | 60.0° |
| HB | CB | CG2 | HG23 | 177.2° | 60.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
