BR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.34Å | 1.25Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.52Å | 1.56Å | |
| CB | CG | sing | 1.54Å | 1.55Å | |
| CB | CAK | sing | 1.55Å | 1.53Å | |
| CG | CD1 | sing | 1.51Å | 1.53Å | |
| OAD | CAM | doub | 1.22Å | 1.25Å | |
| OAF | NAT | sing | 1.22Å | 1.41Å | |
| CAG | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAO | sing | 1.40Å | 1.38Å | Aromatic |
| CAH | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAI | sing | 1.51Å | 1.53Å | |
| CAM | OAA | sing | 1.35Å | 1.25Å | |
| CAM | CAO | sing | 1.47Å | 1.53Å | |
| CAO | CAQ | doub | 1.41Å | 1.39Å | Aromatic |
| CAP | NAT | sing | 1.48Å | 1.35Å | |
| CAP | CD2 | doub | 1.39Å | 1.41Å | Aromatic |
| CAQ | N | sing | 1.39Å | 1.39Å | |
| CAQ | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| NAT | OAC | doub | 1.22Å | 1.43Å | |
| CD1 | CAI | doub | 1.31Å | 1.53Å | |
| CD2 | CG | sing | 1.50Å | 1.55Å | |
| OXT | C | doub | 1.21Å | 1.25Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 115.7° | 120.0° |
| O | C | OXT | 125.5° | 120.0° |
| C | O | HO | 109.5° | 117.0° |
| C | CA | N | 106.9° | 109.5° |
| C | CA | CB | 112.3° | 109.5° |
| CA | C | OXT | 118.8° | 120.0° |
| C | CA | HA | 110.2° | 109.5° |
| N | CA | CB | 112.1° | 109.3° |
| CA | N | CAQ | 121.8° | 110.2° |
| CA | N | HN | 105.6° | 111.0° |
| N | CA | HA | 110.5° | 109.5° |
| CA | CB | CG | 115.7° | 111.2° |
| CA | CB | CAK | 113.0° | 109.9° |
| CB | CA | HA | 104.9° | 109.6° |
| CA | CB | HB | 100.4° | 111.0° |
| CG | CB | CAK | 101.5° | 101.7° |
| CB | CG | CD1 | 104.2° | 104.6° |
| CB | CG | CD2 | 113.7° | 112.3° |
| CG | CB | HB | 112.0° | 111.0° |
| CB | CG | HG | 110.6° | 110.0° |
| CB | CAK | CAI | 104.0° | 104.4° |
| CAK | CB | HB | 114.9° | 111.7° |
| CB | CAK | HAK | 111.4° | 110.4° |
| CB | CAK | HAKA | 111.3° | 110.4° |
| CG | CD1 | CAI | 107.1° | 110.9° |
| CD1 | CG | CD2 | 110.5° | 108.9° |
| CD1 | CG | HG | 113.8° | 110.1° |
| CG | CD1 | HD1 | 126.4° | 124.5° |
| OAD | CAM | OAA | 124.5° | 120.0° |
| OAD | CAM | CAO | 119.5° | 120.0° |
| OAF | NAT | CAP | 124.3° | 120.0° |
| OAF | NAT | OAC | 116.7° | 120.0° |
| CAH | CAG | CAO | 119.2° | 119.5° |
| CAG | CAH | CAP | 122.2° | 120.4° |
| CAH | CAG | HAG | 120.4° | 120.2° |
| CAG | CAH | HAH | 118.9° | 119.7° |
| CAG | CAO | CAM | 121.3° | 120.1° |
| CAG | CAO | CAQ | 119.5° | 119.8° |
| CAO | CAG | HAG | 120.4° | 120.2° |
| CAH | CAP | NAT | 116.0° | 119.5° |
| CAH | CAP | CD2 | 118.2° | 121.0° |
| CAP | CAH | HAH | 118.9° | 119.8° |
| CAK | CAI | CD1 | 104.7° | 111.0° |
| CAK | CAI | HAI | 127.6° | 124.5° |
| CAI | CAK | HAK | 111.3° | 110.5° |
| CAI | CAK | HAKA | 111.3° | 110.5° |
| OAA | CAM | CAO | 116.0° | 120.0° |
| CAM | OAA | HOAA | 109.5° | 117.0° |
| CAM | CAO | CAQ | 119.2° | 120.1° |
| CAO | CAQ | N | 118.7° | 118.8° |
| CAO | CAQ | CD2 | 121.8° | 120.1° |
| NAT | CAP | CD2 | 125.8° | 119.5° |
| CAP | NAT | OAC | 119.0° | 120.0° |
| CAP | CD2 | CAQ | 119.1° | 119.2° |
| CAP | CD2 | CG | 123.9° | 118.0° |
| N | CAQ | CD2 | 119.5° | 121.2° |
| CAQ | N | HN | 105.5° | 111.0° |
| CAQ | CD2 | CG | 117.0° | 122.7° |
| CD1 | CAI | HAI | 127.6° | 124.5° |
| CAI | CD1 | HD1 | 126.4° | 124.5° |
| CD2 | CG | HG | 104.3° | 110.7° |
| HAK | CAK | HAKA | 107.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 178.6° | 179.8° |
| O | C | CA | N | 7.8° | 160.0° |
| O | C | CA | CB | 115.5° | 80.2° |
| O | C | CA | HA | 128.0° | 40.0° |
| C | CA | N | CB | 123.4° | 119.9° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | CB | HA | 119.7° | 120.1° |
| C | CA | CB | CG | 118.2° | 179.1° |
| C | CA | CB | CAK | 1.7° | 67.3° |
| C | CA | N | CAQ | 159.1° | 176.3° |
| C | CA | N | HN | 39.1° | 60.3° |
| CA | C | O | HO | 178.5° | 180.0° |
| C | CA | CB | HB | 121.1° | 56.8° |
| N | CA | CB | HA | 120.0° | 120.0° |
| N | CA | CB | CG | 2.1° | 59.2° |
| N | CA | CB | CAK | 118.6° | 52.7° |
| CA | N | CAQ | CAO | 141.5° | 145.8° |
| CA | N | CAQ | HN | 120.0° | 123.4° |
| CA | N | CAQ | CD2 | 38.3° | 33.8° |
| N | CA | C | OXT | 170.8° | 20.2° |
| N | CA | CB | HB | 118.6° | 176.8° |
| CA | CB | CG | CAK | 122.7° | 117.0° |
| CA | CB | CG | HB | 114.2° | 124.0° |
| CA | CB | CAK | HB | 114.3° | 123.6° |
| CA | CB | CG | CD1 | 85.8° | 142.4° |
| CA | CB | CAK | CAI | 81.6° | 143.2° |
| CB | CA | N | CAQ | 35.7° | 63.8° |
| CA | CB | CG | CD2 | 34.6° | 24.4° |
| CB | CA | C | OXT | 65.9° | 99.6° |
| CB | CA | N | HN | 84.3° | 59.6° |
| CA | CB | CG | HG | 151.6° | 99.5° |
| CA | CB | CAK | HAK | 158.4° | 98.1° |
| CA | CB | CAK | HAKA | 38.4° | 24.4° |
| CG | CB | CAK | HB | 121.1° | 118.5° |
| CB | CG | CD1 | CD2 | 122.5° | 120.3° |
| CB | CG | CD1 | HG | 120.5° | 118.1° |
| CG | CB | CAK | CAI | 43.0° | 25.3° |
| CB | CG | CD2 | CAP | 145.1° | 174.9° |
| CB | CG | CD2 | CAQ | 35.0° | 5.5° |
| CB | CG | CD1 | CAI | 17.4° | 17.0° |
| CB | CG | CD2 | HG | 120.6° | 123.4° |
| CG | CB | CA | HA | 122.1° | 60.8° |
| CG | CB | CAK | HAK | 77.0° | 144.1° |
| CG | CB | CAK | HAKA | 163.0° | 93.5° |
| CB | CG | CD1 | HD1 | 162.6° | 163.0° |
| CAK | CB | CG | CD1 | 36.9° | 25.4° |
| CB | CAK | CAI | HAK | 120.0° | 118.7° |
| CB | CAK | CAI | HAKA | 120.0° | 118.7° |
| CB | CAK | CAI | CD1 | 32.6° | 16.6° |
| CAK | CB | CG | CD2 | 157.3° | 92.6° |
| CAK | CB | CA | HA | 121.5° | 172.6° |
| CAK | CB | CG | HG | 85.7° | 143.6° |
| CB | CAK | CAI | HAI | 147.5° | 163.3° |
| CB | CAK | HAK | HAKA | 122.2° | 122.5° |
| CG | CD1 | CAI | CAK | 9.1° | 0.2° |
| CD1 | CG | CD2 | CAP | 98.1° | 69.7° |
| CD1 | CG | CD2 | CAQ | 81.8° | 109.9° |
| CG | CD1 | CAI | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | HG | 122.7° | 121.2° |
| CD1 | CG | CB | HB | 160.0° | 93.6° |
| CG | CD1 | CAI | HAI | 171.0° | 179.9° |
| OAD | CAM | CAO | CAG | 54.9° | 180.0° |
| OAD | CAM | OAA | CAO | 179.3° | 180.0° |
| OAD | CAM | CAO | CAQ | 126.0° | 0.0° |
| OAD | CAM | OAA | HOAA | 0.0° | 0.0° |
| OAF | NAT | CAP | CAH | 158.8° | 0.1° |
| OAF | NAT | CAP | OAC | 179.8° | 179.9° |
| OAF | NAT | CAP | CD2 | 21.4° | 180.0° |
| CAH | CAG | CAO | HAG | 180.0° | 180.0° |
| CAG | CAH | CAP | HAH | 180.0° | 180.0° |
| CAH | CAG | CAO | CAM | 179.5° | 179.9° |
| CAH | CAG | CAO | CAQ | 0.4° | 0.1° |
| CAG | CAH | CAP | NAT | 179.5° | 180.0° |
| CAG | CAH | CAP | CD2 | 0.3° | 0.1° |
| CAO | CAG | CAH | CAP | 0.4° | 0.2° |
| CAG | CAO | CAM | OAA | 124.5° | 0.0° |
| CAG | CAO | CAM | CAQ | 179.1° | 180.0° |
| CAG | CAO | CAQ | N | 179.9° | 179.3° |
| CAG | CAO | CAQ | CD2 | 0.3° | 0.4° |
| CAO | CAG | CAH | HAH | 179.6° | 179.8° |
| CAH | CAP | NAT | CD2 | 179.8° | 179.9° |
| CAH | CAP | CD2 | CAQ | 0.2° | 0.2° |
| CAH | CAP | NAT | OAC | 21.0° | 180.0° |
| CAH | CAP | CD2 | CG | 179.9° | 179.4° |
| CAP | CAH | CAG | HAG | 179.6° | 179.8° |
| CAK | CAI | CD1 | HAI | 180.0° | 179.9° |
| CAI | CAK | CB | HB | 164.1° | 93.2° |
| CAI | CAK | HAK | HAKA | 122.2° | 122.5° |
| CAK | CAI | CD1 | HD1 | 170.9° | 179.9° |
| OAA | CAM | CAO | CAQ | 54.6° | 180.0° |
| CAM | CAO | CAQ | N | 0.8° | 0.8° |
| CAM | CAO | CAQ | CD2 | 179.4° | 179.6° |
| CAO | CAM | OAA | HOAA | 179.3° | 180.0° |
| CAM | CAO | CAG | HAG | 0.5° | 0.1° |
| CAO | CAQ | CD2 | CAP | 0.2° | 0.5° |
| CAO | CAQ | N | CD2 | 179.8° | 179.6° |
| CAO | CAQ | CD2 | CG | 179.8° | 179.2° |
| CAO | CAQ | N | HN | 98.5° | 90.8° |
| CAQ | CAO | CAG | HAG | 179.6° | 180.0° |
| NAT | CAP | CD2 | CAQ | 179.6° | 179.7° |
| NAT | CAP | CD2 | CG | 0.4° | 0.7° |
| NAT | CAP | CAH | HAH | 0.6° | 0.0° |
| CAP | CD2 | CAQ | N | 180.0° | 179.2° |
| CAP | CD2 | CAQ | CG | 179.9° | 179.6° |
| CD2 | CAP | NAT | OAC | 158.7° | 0.1° |
| CAP | CD2 | CG | HG | 24.5° | 51.5° |
| CD2 | CAP | CAH | HAH | 179.7° | 179.9° |
| N | CAQ | CD2 | CG | 0.1° | 1.2° |
| CAQ | N | CA | HA | 80.9° | 56.2° |
| CD2 | CAQ | N | HN | 81.7° | 89.5° |
| CAQ | CD2 | CG | HG | 155.5° | 128.9° |
| CAI | CD1 | CG | CD2 | 139.9° | 103.3° |
| CAI | CD1 | CG | HG | 103.1° | 135.1° |
| CD1 | CAI | CAK | HAK | 87.5° | 135.4° |
| CD1 | CAI | CAK | HAKA | 152.5° | 102.1° |
| CD2 | CG | CB | HB | 79.7° | 148.4° |
| CD2 | CG | CD1 | HD1 | 40.1° | 76.7° |
| OXT | C | O | HO | 0.0° | 0.2° |
| OXT | C | CA | HA | 50.7° | 140.3° |
| HN | N | CA | HA | 159.1° | 179.6° |
| HA | CA | CB | HB | 1.3° | 63.3° |
| HB | CB | CG | HG | 37.3° | 24.6° |
| HB | CB | CAK | HAK | 44.1° | 25.6° |
| HB | CB | CAK | HAKA | 75.9° | 148.0° |
| HG | CG | CD1 | HD1 | 76.9° | 44.9° |
| HAG | CAG | CAH | HAH | 0.4° | 0.2° |
| HAI | CAI | CAK | HAK | 92.5° | 44.6° |
| HAI | CAI | CAK | HAKA | 27.5° | 78.0° |
| HAI | CAI | CD1 | HD1 | 9.0° | 0.0° |
