02K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.27Å | |
| CE | CD | sing | 1.53Å | 1.54Å | |
| CD | CG | sing | 1.53Å | 1.55Å | |
| CD | HAP | sing | 1.09Å | 1.10Å | |
| CD | HAPA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.56Å | |
| CG | HAQ | sing | 1.09Å | 1.10Å | |
| CG | HAQA | sing | 1.09Å | 1.10Å | |
| CE | CH | sing | 1.53Å | 1.54Å | |
| CE | HAR | sing | 1.09Å | 1.10Å | |
| CE | HARA | sing | 1.09Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CH | CA | sing | 1.53Å | 1.54Å | |
| CH | HAT | sing | 1.09Å | 1.10Å | |
| CH | HATA | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| C | OXT | sing | 1.34Å | 11.25Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 123.3° | 120.0° |
| O | C | OXT | 69.3° | 120.1° |
| CE | CD | CG | 109.2° | 109.4° |
| CE | CD | HAP | 109.6° | 109.5° |
| CE | CD | HAPA | 109.6° | 109.4° |
| CD | CE | CH | 111.0° | 109.5° |
| CD | CE | HAR | 109.0° | 109.4° |
| CD | CE | HARA | 109.0° | 109.4° |
| CG | CD | HAP | 109.5° | 109.5° |
| CG | CD | HAPA | 109.5° | 109.5° |
| CD | CG | CB | 112.7° | 109.5° |
| CD | CG | HAQ | 108.4° | 109.4° |
| CD | CG | HAQA | 108.4° | 109.5° |
| HAP | CD | HAPA | 109.4° | 109.5° |
| CB | CG | HAQ | 108.4° | 109.5° |
| CB | CG | HAQA | 108.4° | 109.5° |
| CG | CB | CA | 111.1° | 109.5° |
| CG | CB | HB1 | 108.9° | 109.5° |
| CG | CB | HB2 | 108.9° | 109.5° |
| HAQ | CG | HAQA | 110.5° | 109.5° |
| CH | CE | HAR | 109.0° | 109.5° |
| CH | CE | HARA | 109.0° | 109.5° |
| CE | CH | CA | 116.4° | 109.5° |
| CE | CH | HAT | 107.2° | 109.5° |
| CE | CH | HATA | 107.2° | 109.5° |
| HAR | CE | HARA | 110.0° | 109.5° |
| CA | CB | HB1 | 108.9° | 109.4° |
| CA | CB | HB2 | 108.9° | 109.5° |
| CB | CA | CH | 110.2° | 109.5° |
| CB | CA | N | 110.9° | 109.4° |
| CB | CA | C | 106.9° | 109.5° |
| HB1 | CB | HB2 | 110.0° | 109.5° |
| CA | CH | HAT | 107.2° | 109.5° |
| CA | CH | HATA | 107.2° | 109.5° |
| CH | CA | N | 106.0° | 109.5° |
| CH | CA | C | 114.2° | 109.5° |
| HAT | CH | HATA | 111.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C | 108.7° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.4° | 111.0° |
| CA | C | OXT | 61.9° | 120.0° |
| C | OXT | HXT | 90.0° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | CB | 94.5° | 95.0° |
| O | C | CA | CH | 27.7° | 25.0° |
| O | C | CA | N | 145.7° | 145.0° |
| O | C | CA | OXT | 33.7° | 179.9° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| CE | CD | CG | HAP | 120.0° | 120.0° |
| CE | CD | CG | HAPA | 120.0° | 119.9° |
| CE | CD | HAP | HAPA | 120.1° | 120.0° |
| CE | CD | CG | CB | 57.9° | 60.0° |
| CE | CD | CG | HAQ | 177.9° | 180.0° |
| CE | CD | CG | HAQA | 62.1° | 60.0° |
| CD | CE | CH | HAR | 120.0° | 120.0° |
| CD | CE | CH | HARA | 120.0° | 119.9° |
| CD | CE | HAR | HARA | 119.4° | 120.0° |
| CD | CE | CH | CA | 52.4° | 60.0° |
| CD | CE | CH | HAT | 172.5° | 180.0° |
| CD | CE | CH | HATA | 67.6° | 60.0° |
| CG | CD | HAP | HAPA | 120.1° | 120.0° |
| CD | CG | CB | HAQ | 120.0° | 119.9° |
| CD | CG | CB | HAQA | 120.0° | 120.1° |
| CD | CG | HAQ | HAQA | 118.7° | 120.0° |
| CG | CD | CE | CH | 53.6° | 60.0° |
| CG | CD | CE | HAR | 66.4° | 60.0° |
| CG | CD | CE | HARA | 173.6° | 180.0° |
| CD | CG | CB | CA | 57.3° | 60.0° |
| CD | CG | CB | HB1 | 62.7° | 60.0° |
| CD | CG | CB | HB2 | 177.2° | 180.0° |
| HAP | CD | CG | CB | 62.1° | 180.0° |
| HAP | CD | CG | HAQ | 57.9° | 60.0° |
| HAP | CD | CG | HAQA | 177.9° | 60.0° |
| HAP | CD | CE | CH | 66.3° | 180.0° |
| HAP | CD | CE | HAR | 173.6° | 60.0° |
| HAP | CD | CE | HARA | 53.6° | 60.0° |
| HAPA | CD | CG | CB | 177.9° | 59.9° |
| HAPA | CD | CG | HAQ | 62.1° | 60.0° |
| HAPA | CD | CG | HAQA | 57.9° | 180.0° |
| HAPA | CD | CE | CH | 173.6° | 60.0° |
| HAPA | CD | CE | HAR | 53.6° | 179.9° |
| HAPA | CD | CE | HARA | 66.4° | 60.0° |
| CB | CG | HAQ | HAQA | 118.7° | 120.0° |
| CG | CB | CA | HB1 | 120.0° | 120.0° |
| CG | CB | CA | HB2 | 120.0° | 120.0° |
| CG | CB | HB1 | HB2 | 119.3° | 120.0° |
| CG | CB | CA | CH | 50.8° | 60.0° |
| CG | CB | CA | N | 66.3° | 60.0° |
| CG | CB | CA | C | 175.4° | 180.0° |
| HAQ | CG | CB | CA | 177.2° | 180.0° |
| HAQ | CG | CB | HB1 | 57.2° | 60.0° |
| HAQ | CG | CB | HB2 | 62.8° | 60.0° |
| HAQA | CG | CB | CA | 62.7° | 60.0° |
| HAQA | CG | CB | HB1 | 177.3° | 180.0° |
| HAQA | CG | CB | HB2 | 57.3° | 60.0° |
| CH | CE | HAR | HARA | 119.4° | 120.0° |
| CE | CH | CA | CB | 50.4° | 60.0° |
| CE | CH | CA | HAT | 120.0° | 120.0° |
| CE | CH | CA | HATA | 120.0° | 120.0° |
| CE | CH | HAT | HATA | 117.1° | 120.0° |
| CE | CH | CA | N | 69.7° | 60.0° |
| CE | CH | CA | C | 170.7° | 180.0° |
| HAR | CE | CH | CA | 67.6° | 60.0° |
| HAR | CE | CH | HAT | 52.4° | 60.0° |
| HAR | CE | CH | HATA | 172.4° | 180.0° |
| HARA | CE | CH | CA | 172.4° | 179.9° |
| HARA | CE | CH | HAT | 67.5° | 60.1° |
| HARA | CE | CH | HATA | 52.4° | 59.9° |
| CA | CB | HB1 | HB2 | 119.3° | 120.0° |
| CB | CA | CH | N | 120.1° | 119.9° |
| CB | CA | CH | C | 120.3° | 120.1° |
| CB | CA | CH | HAT | 170.5° | 179.9° |
| CB | CA | CH | HATA | 69.6° | 60.0° |
| CB | CA | N | C | 117.2° | 120.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | C | OXT | 128.2° | 84.9° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| HB1 | CB | CA | CH | 69.2° | 60.0° |
| HB1 | CB | CA | N | 173.7° | 180.0° |
| HB1 | CB | CA | C | 55.4° | 60.0° |
| HB2 | CB | CA | CH | 170.8° | 180.0° |
| HB2 | CB | CA | N | 53.7° | 60.0° |
| HB2 | CB | CA | C | 64.6° | 60.0° |
| CA | CH | HAT | HATA | 117.2° | 120.0° |
| CH | CA | N | C | 123.1° | 120.0° |
| CH | CA | N | H | 60.4° | 180.0° |
| CH | CA | C | OXT | 6.1° | 155.0° |
| CH | CA | N | H2 | 179.6° | 56.0° |
| HAT | CH | CA | N | 50.3° | 60.0° |
| HAT | CH | CA | C | 69.2° | 60.0° |
| HATA | CH | CA | N | 170.3° | 180.0° |
| HATA | CH | CA | C | 50.8° | 60.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 112.0° | 35.0° |
| H | N | CA | C | 62.7° | 60.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| C | CA | N | H2 | 57.2° | 176.0° |
