XPL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CE | CD | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.46Å | 1.50Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| C2 | NZ | sing | 1.35Å | 1.34Å | |
| NZ | HNZ | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O2 | C2 | doub | 1.21Å | 1.21Å | |
| C2 | CA2 | sing | 1.51Å | 1.54Å | |
| N2 | CA2 | sing | 1.47Å | 1.47Å | |
| N2 | CE2 | sing | 1.48Å | 1.48Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| N3 | CE2 | sing | 1.47Å | 1.47Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| CA2 | CG2 | sing | 1.54Å | 1.51Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CG2 | CB2 | sing | 1.53Å | 1.48Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2A | sing | 1.09Å | 1.10Å | |
| CB2 | HB2B | sing | 1.09Å | 1.10Å | |
| CE2 | CD2 | sing | 1.55Å | 1.56Å | |
| CD2 | CG2 | sing | 1.55Å | 1.51Å | |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2A | sing | 1.09Å | 1.10Å | |
| CE2 | HE2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 120.9° | 120.0° |
| CA | C | OXT | 115.8° | 120.0° |
| C | CA | N | 106.1° | 109.5° |
| C | CA | CB | 110.2° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| O | C | OXT | 123.3° | 119.9° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | CB | 111.3° | 109.5° |
| N | CA | HA | 110.3° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | HA | 109.3° | 109.4° |
| CA | CB | CG | 113.4° | 109.5° |
| CA | CB | HB | 108.5° | 109.4° |
| CA | CB | HBA | 108.5° | 109.4° |
| CG | CB | HB | 108.5° | 109.5° |
| CG | CB | HBA | 108.5° | 109.5° |
| CB | CG | CD | 113.3° | 109.5° |
| CB | CG | HG | 108.5° | 109.5° |
| CB | CG | HGA | 108.5° | 109.5° |
| HB | CB | HBA | 109.5° | 109.5° |
| CE | CD | CG | 111.3° | 109.5° |
| CE | CD | HD | 109.0° | 109.5° |
| CE | CD | HDA | 109.0° | 109.5° |
| CD | CE | NZ | 112.8° | 109.5° |
| CD | CE | HE | 108.7° | 109.5° |
| CD | CE | HEA | 108.6° | 109.4° |
| CG | CD | HD | 109.0° | 109.4° |
| CG | CD | HDA | 109.0° | 109.4° |
| CD | CG | HG | 108.5° | 109.4° |
| CD | CG | HGA | 108.5° | 109.5° |
| HD | CD | HDA | 109.5° | 109.5° |
| NZ | CE | HE | 108.6° | 109.5° |
| NZ | CE | HEA | 108.7° | 109.5° |
| CE | NZ | C2 | 124.0° | 120.0° |
| CE | NZ | HNZ | 118.0° | 120.0° |
| HE | CE | HEA | 109.5° | 109.4° |
| HG | CG | HGA | 109.5° | 109.4° |
| C2 | NZ | HNZ | 118.0° | 120.0° |
| NZ | C2 | O2 | 123.0° | 120.0° |
| NZ | C2 | CA2 | 111.2° | 120.0° |
| O2 | C2 | CA2 | 122.3° | 120.0° |
| C2 | CA2 | N2 | 107.0° | 109.9° |
| C2 | CA2 | CG2 | 119.8° | 109.9° |
| C2 | CA2 | HA2 | 106.6° | 109.9° |
| CA2 | N2 | CE2 | 96.5° | 108.5° |
| CA2 | N2 | HN2 | 112.6° | 110.9° |
| N2 | CA2 | CG2 | 108.4° | 107.2° |
| N2 | CA2 | HA2 | 107.5° | 109.9° |
| CE2 | N2 | HN2 | 112.6° | 111.1° |
| N2 | CE2 | N3 | 109.5° | 110.4° |
| N2 | CE2 | CD2 | 115.0° | 104.8° |
| N2 | CE2 | HE2 | 108.1° | 110.3° |
| CE2 | N3 | HN3 | 109.5° | 111.0° |
| CE2 | N3 | HN3A | 109.5° | 111.0° |
| N3 | CE2 | CD2 | 108.7° | 110.4° |
| N3 | CE2 | HE2 | 108.2° | 110.3° |
| HN3 | N3 | HN3A | 109.5° | 111.0° |
| CG2 | CA2 | HA2 | 107.0° | 110.0° |
| CA2 | CG2 | CB2 | 114.9° | 110.7° |
| CA2 | CG2 | CD2 | 99.3° | 103.0° |
| CA2 | CG2 | HG2 | 110.8° | 110.7° |
| CG2 | CB2 | HB2 | 109.5° | 109.4° |
| CG2 | CB2 | HB2A | 109.5° | 109.4° |
| CG2 | CB2 | HB2B | 109.5° | 109.5° |
| CB2 | CG2 | CD2 | 109.2° | 110.7° |
| CB2 | CG2 | HG2 | 111.2° | 110.8° |
| HB2 | CB2 | HB2A | 109.5° | 109.5° |
| HB2 | CB2 | HB2B | 109.4° | 109.5° |
| HB2A | CB2 | HB2B | 109.5° | 109.5° |
| CE2 | CD2 | CG2 | 94.6° | 101.6° |
| CE2 | CD2 | HD2 | 113.1° | 111.0° |
| CE2 | CD2 | HD2A | 113.0° | 111.0° |
| CD2 | CE2 | HE2 | 107.2° | 110.5° |
| CG2 | CD2 | HD2 | 113.1° | 111.0° |
| CG2 | CD2 | HD2A | 113.1° | 111.0° |
| CD2 | CG2 | HG2 | 110.9° | 110.7° |
| HD2 | CD2 | HD2A | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 178.3° | 179.7° |
| C | CA | N | CB | 120.0° | 120.0° |
| C | CA | N | HA | 118.5° | 120.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HA | 120.4° | 120.0° |
| C | CA | CB | CG | 70.3° | 175.0° |
| C | CA | CB | HB | 169.1° | 65.0° |
| C | CA | CB | HBA | 50.3° | 55.0° |
| CA | C | OXT | HXT | 178.4° | 179.7° |
| O | C | CA | N | 53.0° | 20.0° |
| O | C | CA | CB | 67.6° | 100.0° |
| O | C | CA | HA | 172.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | N | 125.4° | 160.3° |
| OXT | C | CA | CB | 113.9° | 79.7° |
| OXT | C | CA | HA | 6.3° | 40.3° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HA | 122.1° | 119.9° |
| N | CA | CB | CG | 172.2° | 64.9° |
| N | CA | CB | HB | 51.6° | 55.1° |
| N | CA | CB | HBA | 67.2° | 175.0° |
| H | N | CA | CB | 60.1° | 176.0° |
| H | N | CA | HA | 61.5° | 56.1° |
| H2 | N | CA | CB | 179.9° | 60.0° |
| H2 | N | CA | HA | 58.5° | 180.0° |
| CA | CB | CG | HB | 120.5° | 120.0° |
| CA | CB | CG | HBA | 120.6° | 120.0° |
| CA | CB | HB | HBA | 118.2° | 119.9° |
| CA | CB | CG | CD | 94.1° | 180.0° |
| CA | CB | CG | HG | 26.5° | 60.0° |
| CA | CB | CG | HGA | 145.4° | 60.0° |
| HA | CA | CB | CG | 50.1° | 55.0° |
| HA | CA | CB | HB | 70.5° | 175.0° |
| HA | CA | CB | HBA | 170.6° | 65.0° |
| CG | CB | HB | HBA | 118.2° | 120.0° |
| CB | CG | CD | CE | 86.5° | 180.0° |
| CB | CG | CD | HG | 120.6° | 120.0° |
| CB | CG | CD | HGA | 120.6° | 120.1° |
| CB | CG | CD | HD | 153.2° | 60.0° |
| CB | CG | CD | HDA | 33.8° | 60.0° |
| CB | CG | HG | HGA | 118.3° | 120.0° |
| HB | CB | CG | CD | 145.4° | 60.0° |
| HB | CB | CG | HG | 94.0° | 180.0° |
| HB | CB | CG | HGA | 24.8° | 60.0° |
| HBA | CB | CG | CD | 26.5° | 60.0° |
| HBA | CB | CG | HG | 147.1° | 60.0° |
| HBA | CB | CG | HGA | 94.1° | 180.0° |
| CE | CD | CG | HD | 120.3° | 120.0° |
| CE | CD | CG | HDA | 120.3° | 120.0° |
| CE | CD | HD | HDA | 119.2° | 120.0° |
| CD | CE | NZ | HE | 120.5° | 120.1° |
| CD | CE | NZ | HEA | 120.5° | 119.9° |
| CD | CE | HE | HEA | 118.4° | 119.9° |
| CE | CD | CG | HG | 152.9° | 60.0° |
| CE | CD | CG | HGA | 34.0° | 60.0° |
| CD | CE | NZ | C2 | 173.7° | 180.0° |
| CD | CE | NZ | HNZ | 6.3° | 0.1° |
| CG | CD | HD | HDA | 119.1° | 119.9° |
| CG | CD | CE | NZ | 171.0° | 180.0° |
| CG | CD | CE | HE | 50.4° | 59.9° |
| CG | CD | CE | HEA | 68.5° | 60.0° |
| CD | CG | HG | HGA | 118.2° | 119.9° |
| HD | CD | CE | NZ | 50.7° | 60.1° |
| HD | CD | CE | HE | 69.8° | 60.0° |
| HD | CD | CE | HEA | 171.2° | 180.0° |
| HD | CD | CG | HG | 32.6° | 60.0° |
| HD | CD | CG | HGA | 86.2° | 180.0° |
| HDA | CD | CE | NZ | 68.8° | 60.0° |
| HDA | CD | CE | HE | 170.7° | 179.9° |
| HDA | CD | CE | HEA | 51.7° | 60.0° |
| HDA | CD | CG | HG | 86.8° | 180.0° |
| HDA | CD | CG | HGA | 154.4° | 60.1° |
| NZ | CE | HE | HEA | 118.5° | 120.0° |
| CE | NZ | C2 | HNZ | 180.0° | 179.9° |
| CE | NZ | C2 | O2 | 8.6° | 0.1° |
| CE | NZ | C2 | CA2 | 168.2° | 180.0° |
| HE | CE | NZ | C2 | 65.8° | 59.9° |
| HE | CE | NZ | HNZ | 114.2° | 120.0° |
| HEA | CE | NZ | C2 | 53.2° | 60.1° |
| HEA | CE | NZ | HNZ | 126.8° | 120.0° |
| NZ | C2 | O2 | CA2 | 157.3° | 179.9° |
| NZ | C2 | CA2 | N2 | 85.0° | 161.4° |
| NZ | C2 | CA2 | CG2 | 38.7° | 80.8° |
| NZ | C2 | CA2 | HA2 | 160.2° | 40.4° |
| HNZ | NZ | C2 | O2 | 171.4° | 180.0° |
| HNZ | NZ | C2 | CA2 | 11.8° | 0.1° |
| O2 | C2 | CA2 | N2 | 115.3° | 18.5° |
| O2 | C2 | CA2 | CG2 | 121.0° | 99.3° |
| O2 | C2 | CA2 | HA2 | 0.5° | 139.6° |
| C2 | CA2 | N2 | CG2 | 130.5° | 119.4° |
| C2 | CA2 | N2 | HA2 | 114.2° | 121.1° |
| C2 | CA2 | N2 | CE2 | 161.5° | 118.4° |
| C2 | CA2 | N2 | HN2 | 43.6° | 3.9° |
| C2 | CA2 | CG2 | HA2 | 121.3° | 121.1° |
| C2 | CA2 | CG2 | CB2 | 68.3° | 100.0° |
| C2 | CA2 | CG2 | CD2 | 175.5° | 141.7° |
| C2 | CA2 | CG2 | HG2 | 58.8° | 23.3° |
| CA2 | N2 | CE2 | HN2 | 117.8° | 122.2° |
| CA2 | N2 | CE2 | N3 | 123.0° | 143.0° |
| N2 | CA2 | CG2 | HA2 | 115.6° | 119.4° |
| N2 | CA2 | CG2 | CB2 | 168.7° | 140.6° |
| CA2 | N2 | CE2 | CD2 | 0.2° | 24.1° |
| N2 | CA2 | CG2 | CD2 | 52.4° | 22.3° |
| CA2 | N2 | CE2 | HE2 | 119.4° | 94.9° |
| N2 | CA2 | CG2 | HG2 | 64.2° | 96.1° |
| N2 | CE2 | N3 | CD2 | 126.4° | 115.5° |
| N2 | CE2 | N3 | HE2 | 117.6° | 122.2° |
| N2 | CE2 | N3 | HN3 | 180.0° | 61.4° |
| N2 | CE2 | N3 | HN3A | 60.0° | 62.5° |
| CE2 | N2 | CA2 | CG2 | 31.0° | 1.0° |
| CE2 | N2 | CA2 | HA2 | 84.3° | 120.5° |
| N2 | CE2 | CD2 | HE2 | 120.1° | 118.9° |
| N2 | CE2 | CD2 | CG2 | 29.8° | 37.1° |
| N2 | CE2 | CD2 | HD2 | 147.3° | 155.1° |
| N2 | CE2 | CD2 | HD2A | 87.7° | 81.0° |
| HN2 | N2 | CE2 | N3 | 119.2° | 94.8° |
| HN2 | N2 | CA2 | CG2 | 86.8° | 123.3° |
| HN2 | N2 | CA2 | HA2 | 157.9° | 117.2° |
| HN2 | N2 | CE2 | CD2 | 118.0° | 146.3° |
| HN2 | N2 | CE2 | HE2 | 1.6° | 27.4° |
| CE2 | N3 | HN3 | HN3A | 120.0° | 123.9° |
| N3 | CE2 | CD2 | HE2 | 116.7° | 122.3° |
| N3 | CE2 | CD2 | CG2 | 153.0° | 155.9° |
| N3 | CE2 | CD2 | HD2 | 89.5° | 86.0° |
| N3 | CE2 | CD2 | HD2A | 35.5° | 37.9° |
| HN3 | N3 | CE2 | CD2 | 53.6° | 176.8° |
| HN3 | N3 | CE2 | HE2 | 62.4° | 60.8° |
| HN3A | N3 | CE2 | CD2 | 173.7° | 52.9° |
| HN3A | N3 | CE2 | HE2 | 57.6° | 175.3° |
| CA2 | CG2 | CB2 | CD2 | 110.4° | 113.6° |
| CA2 | CG2 | CB2 | HG2 | 126.9° | 123.2° |
| CA2 | CG2 | CB2 | HB2 | 180.0° | 60.0° |
| CA2 | CG2 | CB2 | HB2A | 60.0° | 180.0° |
| CA2 | CG2 | CB2 | HB2B | 60.0° | 60.0° |
| CA2 | CG2 | CD2 | CE2 | 44.3° | 35.6° |
| CA2 | CG2 | CD2 | HG2 | 116.6° | 118.4° |
| CA2 | CG2 | CD2 | HD2 | 161.8° | 153.7° |
| CA2 | CG2 | CD2 | HD2A | 73.1° | 82.4° |
| HA2 | CA2 | CG2 | CB2 | 53.0° | 21.2° |
| HA2 | CA2 | CG2 | CD2 | 63.2° | 97.2° |
| HA2 | CA2 | CG2 | HG2 | 179.9° | 144.4° |
| CG2 | CB2 | HB2 | HB2A | 120.0° | 119.9° |
| CG2 | CB2 | HB2 | HB2B | 120.0° | 120.0° |
| CG2 | CB2 | HB2A | HB2B | 120.0° | 120.1° |
| CB2 | CG2 | CD2 | CE2 | 164.9° | 154.0° |
| CB2 | CG2 | CD2 | HG2 | 122.9° | 123.3° |
| CB2 | CG2 | CD2 | HD2 | 77.7° | 87.9° |
| CB2 | CG2 | CD2 | HD2A | 47.4° | 35.9° |
| HB2 | CB2 | HB2A | HB2B | 120.0° | 120.0° |
| HB2 | CB2 | CG2 | CD2 | 69.6° | 173.6° |
| HB2 | CB2 | CG2 | HG2 | 53.1° | 63.2° |
| HB2A | CB2 | CG2 | CD2 | 50.4° | 66.5° |
| HB2A | CB2 | CG2 | HG2 | 173.1° | 56.8° |
| HB2B | CB2 | CG2 | CD2 | 170.5° | 53.6° |
| HB2B | CB2 | CG2 | HG2 | 66.9° | 176.8° |
| CE2 | CD2 | CG2 | HD2 | 117.5° | 118.1° |
| CE2 | CD2 | CG2 | HD2A | 117.4° | 118.1° |
| CE2 | CD2 | HD2 | HD2A | 127.0° | 123.9° |
| CE2 | CD2 | CG2 | HG2 | 72.3° | 82.7° |
| CG2 | CD2 | HD2 | HD2A | 127.0° | 123.9° |
| CG2 | CD2 | CE2 | HE2 | 90.3° | 81.8° |
| HD2 | CD2 | CE2 | HE2 | 27.2° | 36.3° |
| HD2 | CD2 | CG2 | HG2 | 45.2° | 35.4° |
| HD2A | CD2 | CE2 | HE2 | 152.2° | 160.1° |
| HD2A | CD2 | CG2 | HG2 | 170.3° | 159.2° |
