QRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.21Å | |
| C | CA | sing | 1.51Å | 1.45Å | |
| C | NAU | sing | 1.34Å | 1.42Å | |
| CA | N | sing | 1.46Å | 1.45Å | |
| N | CAN | sing | 1.35Å | 1.49Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD2 | CG | sing | 1.47Å | 1.59Å | Aromatic |
| CG | CD1 | doub | 1.34Å | 1.40Å | Aromatic |
| CAN | OAA | doub | 1.21Å | 1.21Å | |
| CAJ | CAH | sing | 1.55Å | 1.46Å | |
| CAH | CAI | sing | 1.55Å | 1.55Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAT | CAI | sing | 1.54Å | 1.45Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| NAU | CAJ | sing | 1.47Å | 1.45Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAT | CAN | sing | 1.51Å | 1.44Å | |
| NAU | CAT | sing | 1.48Å | 1.42Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| NE1 | CD1 | sing | 1.37Å | 1.53Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE3 | CD2 | doub | 1.40Å | 1.57Å | Aromatic |
| CD2 | CE2 | sing | 1.41Å | 1.42Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.50Å | Aromatic |
| CZ2 | CE2 | doub | 1.39Å | 1.41Å | Aromatic |
| CZ3 | CE3 | sing | 1.37Å | 1.35Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | CH2 | doub | 1.39Å | 1.46Å | Aromatic |
| CH2 | CZ2 | sing | 1.38Å | 1.53Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| NE1 | HNE1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.6° | 121.1° |
| O | C | NAU | 119.8° | 121.2° |
| CA | C | NAU | 119.3° | 117.7° |
| C | CA | N | 113.4° | 109.8° |
| C | CA | CB | 115.7° | 109.5° |
| C | CA | HA | 103.2° | 109.4° |
| C | NAU | CAJ | 126.8° | 129.3° |
| C | NAU | CAT | 124.1° | 124.0° |
| CA | N | CAN | 122.0° | 122.0° |
| CA | N | HN | 119.0° | 119.0° |
| N | CA | CB | 113.3° | 109.4° |
| N | CA | HA | 106.3° | 109.4° |
| CAN | N | HN | 119.0° | 119.0° |
| N | CAN | OAA | 119.6° | 120.0° |
| N | CAN | CAT | 120.2° | 119.9° |
| CB | CA | HA | 103.4° | 109.4° |
| CA | CB | CG | 112.3° | 109.5° |
| CA | CB | HB | 108.5° | 109.5° |
| CA | CB | HBA | 108.5° | 109.4° |
| CG | CB | HB | 108.5° | 109.5° |
| CG | CB | HBA | 108.6° | 109.4° |
| CB | CG | CD2 | 126.2° | 126.4° |
| CB | CG | CD1 | 126.1° | 126.6° |
| HB | CB | HBA | 110.4° | 109.5° |
| CD2 | CG | CD1 | 107.7° | 107.0° |
| CG | CD2 | CE3 | 132.3° | 134.1° |
| CG | CD2 | CE2 | 108.0° | 106.0° |
| CG | CD1 | NE1 | 108.1° | 110.0° |
| CG | CD1 | HD1 | 126.0° | 125.0° |
| OAA | CAN | CAT | 120.2° | 120.0° |
| CAJ | CAH | CAI | 104.5° | 103.1° |
| CAJ | CAH | HAH | 111.1° | 110.8° |
| CAJ | CAH | HAHA | 111.2° | 110.8° |
| CAH | CAJ | NAU | 104.7° | 103.0° |
| CAH | CAJ | HAJ | 111.1° | 110.7° |
| CAH | CAJ | HAJA | 111.0° | 110.7° |
| CAI | CAH | HAH | 111.2° | 110.7° |
| CAI | CAH | HAHA | 111.1° | 110.7° |
| CAH | CAI | CAT | 105.7° | 105.2° |
| CAH | CAI | HAI | 110.7° | 110.3° |
| CAH | CAI | HAIA | 110.7° | 110.3° |
| HAH | CAH | HAHA | 107.7° | 110.6° |
| CAT | CAI | HAI | 110.7° | 110.3° |
| CAT | CAI | HAIA | 110.7° | 110.3° |
| CAI | CAT | CAN | 114.3° | 110.1° |
| CAI | CAT | NAU | 104.6° | 106.4° |
| CAI | CAT | HAT | 110.2° | 110.6° |
| HAI | CAI | HAIA | 108.2° | 110.2° |
| NAU | CAJ | HAJ | 111.1° | 110.7° |
| NAU | CAJ | HAJA | 111.1° | 110.7° |
| CAJ | NAU | CAT | 106.9° | 106.7° |
| HAJ | CAJ | HAJA | 107.8° | 110.8° |
| CAN | CAT | NAU | 111.2° | 107.5° |
| CAN | CAT | HAT | 103.5° | 110.6° |
| NAU | CAT | HAT | 113.3° | 111.5° |
| NE1 | CD1 | HD1 | 125.9° | 125.0° |
| CD1 | NE1 | CE2 | 108.2° | 109.8° |
| CD1 | NE1 | HNE1 | 125.9° | 125.1° |
| CE3 | CD2 | CE2 | 119.7° | 119.9° |
| CD2 | CE3 | CZ3 | 120.3° | 119.8° |
| CD2 | CE3 | HE3 | 119.9° | 120.1° |
| CD2 | CE2 | NE1 | 108.0° | 107.2° |
| CD2 | CE2 | CZ2 | 120.1° | 119.3° |
| NE1 | CE2 | CZ2 | 131.9° | 133.5° |
| CE2 | NE1 | HNE1 | 125.9° | 125.1° |
| CE2 | CZ2 | CH2 | 120.1° | 119.8° |
| CE2 | CZ2 | HZ2 | 120.0° | 120.1° |
| CZ3 | CE3 | HE3 | 119.8° | 120.1° |
| CE3 | CZ3 | CH2 | 120.2° | 120.5° |
| CE3 | CZ3 | HZ3 | 119.9° | 119.7° |
| CZ3 | CH2 | CZ2 | 119.6° | 120.7° |
| CZ3 | CH2 | HH2 | 120.2° | 119.6° |
| CH2 | CZ3 | HZ3 | 119.9° | 119.8° |
| CZ2 | CH2 | HH2 | 120.2° | 119.7° |
| CH2 | CZ2 | HZ2 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | NAU | 173.2° | 179.8° |
| O | C | CA | N | 174.8° | 148.2° |
| O | C | CA | CB | 41.6° | 28.0° |
| O | C | CA | HA | 70.6° | 91.8° |
| O | C | NAU | CAJ | 3.8° | 4.3° |
| O | C | NAU | CAT | 156.6° | 176.8° |
| C | CA | N | CB | 134.4° | 120.1° |
| C | CA | N | HA | 112.7° | 120.1° |
| C | CA | N | CAN | 17.1° | 34.6° |
| C | CA | N | HN | 162.9° | 145.3° |
| C | CA | CB | HA | 112.1° | 119.8° |
| C | CA | CB | CG | 176.5° | 174.9° |
| C | CA | CB | HB | 63.5° | 65.0° |
| C | CA | CB | HBA | 56.5° | 55.0° |
| CA | C | NAU | CAJ | 169.4° | 175.9° |
| CA | C | NAU | CAT | 30.1° | 3.0° |
| NAU | C | CA | N | 1.6° | 32.0° |
| NAU | C | CA | CB | 131.6° | 152.1° |
| NAU | C | CA | HA | 116.2° | 88.1° |
| C | NAU | CAJ | CAH | 161.6° | 139.6° |
| C | NAU | CAT | CAI | 159.2° | 152.8° |
| C | NAU | CAJ | CAT | 163.2° | 179.0° |
| C | NAU | CAJ | HAJ | 41.6° | 21.2° |
| C | NAU | CAJ | HAJA | 78.4° | 102.1° |
| C | NAU | CAT | CAN | 35.3° | 34.9° |
| C | NAU | CAT | HAT | 80.7° | 86.5° |
| CA | N | CAN | HN | 180.0° | 179.9° |
| N | CA | CB | HA | 114.6° | 119.8° |
| N | CA | CB | CG | 50.2° | 64.7° |
| N | CA | CB | HB | 69.8° | 55.4° |
| N | CA | CB | HBA | 170.2° | 175.3° |
| CA | N | CAN | OAA | 168.7° | 178.3° |
| CA | N | CAN | CAT | 10.8° | 1.7° |
| CAN | N | CA | CB | 151.5° | 154.8° |
| CAN | N | CA | HA | 95.6° | 85.4° |
| N | CAN | OAA | CAT | 179.4° | 180.0° |
| N | CAN | CAT | CAI | 132.5° | 147.7° |
| N | CAN | CAT | NAU | 14.3° | 32.2° |
| N | CAN | CAT | HAT | 107.7° | 89.8° |
| HN | N | CA | CB | 28.5° | 25.1° |
| HN | N | CA | HA | 84.4° | 94.7° |
| HN | N | CAN | OAA | 11.4° | 1.8° |
| HN | N | CAN | CAT | 169.2° | 178.2° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 119.9° |
| CA | CB | HB | HBA | 118.8° | 120.0° |
| CA | CB | CG | CD2 | 95.3° | 84.8° |
| CA | CB | CG | CD1 | 85.2° | 94.9° |
| HA | CA | CB | CG | 64.4° | 55.1° |
| HA | CA | CB | HB | 175.6° | 175.2° |
| HA | CA | CB | HBA | 55.6° | 64.8° |
| CG | CB | HB | HBA | 118.9° | 120.0° |
| CB | CG | CD2 | CD1 | 179.6° | 179.8° |
| CB | CG | CD1 | NE1 | 179.9° | 180.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.0° |
| CB | CG | CD2 | CE3 | 0.3° | 0.1° |
| CB | CG | CD2 | CE2 | 179.8° | 180.0° |
| HB | CB | CG | CD2 | 144.8° | 35.3° |
| HB | CB | CG | CD1 | 34.8° | 145.0° |
| HBA | CB | CG | CD2 | 24.7° | 155.3° |
| HBA | CB | CG | CD1 | 154.8° | 25.0° |
| CD2 | CG | CD1 | NE1 | 0.2° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.8° |
| CG | CD2 | CE3 | CE2 | 179.8° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.0° | 0.1° |
| CG | CD2 | CE2 | CZ2 | 179.9° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 179.9° | 180.0° |
| CG | CD2 | CE3 | HE3 | 0.1° | 0.0° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE3 | 180.0° | 179.7° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.2° |
| CG | CD1 | NE1 | CE2 | 0.2° | 0.2° |
| CG | CD1 | NE1 | HNE1 | 179.7° | 180.0° |
| OAA | CAN | CAT | CAI | 48.1° | 32.2° |
| OAA | CAN | CAT | NAU | 166.3° | 147.8° |
| OAA | CAN | CAT | HAT | 71.8° | 90.2° |
| CAJ | CAH | CAI | HAH | 120.0° | 118.5° |
| CAJ | CAH | CAI | HAHA | 120.0° | 118.5° |
| CAJ | CAH | HAH | HAHA | 122.0° | 123.3° |
| CAJ | CAH | CAI | CAT | 2.8° | 20.8° |
| CAJ | CAH | CAI | HAI | 122.8° | 98.1° |
| CAJ | CAH | CAI | HAIA | 117.2° | 139.8° |
| CAH | CAJ | NAU | HAJ | 120.0° | 118.4° |
| CAH | CAJ | NAU | HAJA | 120.0° | 118.3° |
| CAH | CAJ | HAJ | HAJA | 121.9° | 123.2° |
| CAH | CAJ | NAU | CAT | 35.2° | 39.4° |
| CAI | CAH | HAH | HAHA | 122.0° | 123.0° |
| CAH | CAI | CAT | HAI | 120.0° | 119.0° |
| CAH | CAI | CAT | HAIA | 120.0° | 119.0° |
| CAH | CAI | HAI | HAIA | 121.5° | 122.1° |
| CAI | CAH | CAJ | NAU | 18.8° | 36.7° |
| CAI | CAH | CAJ | HAJ | 138.9° | 155.0° |
| CAI | CAH | CAJ | HAJA | 101.2° | 81.6° |
| CAH | CAI | CAT | CAN | 145.8° | 118.5° |
| CAH | CAI | CAT | NAU | 23.9° | 2.2° |
| CAH | CAI | CAT | HAT | 98.2° | 119.0° |
| HAH | CAH | CAI | CAT | 117.2° | 97.6° |
| HAH | CAH | CAI | HAI | 2.8° | 143.4° |
| HAH | CAH | CAI | HAIA | 122.8° | 21.4° |
| HAH | CAH | CAJ | NAU | 138.9° | 81.8° |
| HAH | CAH | CAJ | HAJ | 101.1° | 36.6° |
| HAH | CAH | CAJ | HAJA | 18.8° | 159.9° |
| HAHA | CAH | CAI | CAT | 122.8° | 139.4° |
| HAHA | CAH | CAI | HAI | 117.2° | 20.4° |
| HAHA | CAH | CAI | HAIA | 2.8° | 101.6° |
| HAHA | CAH | CAJ | NAU | 101.1° | 155.1° |
| HAHA | CAH | CAJ | HAJ | 18.9° | 86.5° |
| HAHA | CAH | CAJ | HAJA | 138.8° | 36.8° |
| CAT | CAI | HAI | HAIA | 121.5° | 122.1° |
| CAI | CAT | NAU | CAJ | 37.0° | 26.3° |
| CAI | CAT | CAN | NAU | 118.2° | 115.5° |
| CAI | CAT | CAN | HAT | 119.8° | 122.5° |
| CAI | CAT | NAU | HAT | 120.0° | 120.6° |
| HAI | CAI | CAT | CAN | 94.2° | 122.5° |
| HAI | CAI | CAT | NAU | 143.9° | 121.2° |
| HAI | CAI | CAT | HAT | 21.8° | 0.0° |
| HAIA | CAI | CAT | CAN | 25.8° | 0.5° |
| HAIA | CAI | CAT | NAU | 96.1° | 116.7° |
| HAIA | CAI | CAT | HAT | 141.8° | 122.0° |
| NAU | CAJ | HAJ | HAJA | 122.0° | 123.2° |
| CAJ | NAU | CAT | CAN | 160.9° | 144.2° |
| CAJ | NAU | CAT | HAT | 83.0° | 94.4° |
| HAJ | CAJ | NAU | CAT | 155.2° | 157.8° |
| HAJA | CAJ | NAU | CAT | 84.8° | 78.9° |
| CAN | CAT | NAU | HAT | 116.0° | 121.4° |
| CD1 | NE1 | CE2 | CD2 | 0.1° | 0.1° |
| CD1 | NE1 | CE2 | HNE1 | 180.0° | 179.8° |
| CD1 | NE1 | CE2 | CZ2 | 179.9° | 179.8° |
| HD1 | CD1 | NE1 | CE2 | 179.8° | 179.9° |
| HD1 | CD1 | NE1 | HNE1 | 0.2° | 0.1° |
| CE3 | CD2 | CE2 | NE1 | 179.9° | 179.9° |
| CE3 | CD2 | CE2 | CZ2 | 0.0° | 0.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | CH2 | 0.2° | 0.0° |
| CD2 | CE3 | CZ3 | HZ3 | 179.8° | 180.0° |
| CD2 | CE2 | NE1 | CZ2 | 179.9° | 179.9° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.0° |
| CE2 | CD2 | CE3 | HE3 | 179.9° | 179.9° |
| CD2 | CE2 | CZ2 | CH2 | 0.1° | 0.0° |
| CD2 | CE2 | CZ2 | HZ2 | 179.9° | 179.9° |
| CD2 | CE2 | NE1 | HNE1 | 179.9° | 179.8° |
| NE1 | CE2 | CZ2 | CH2 | 179.9° | 179.8° |
| NE1 | CE2 | CZ2 | HZ2 | 0.1° | 0.2° |
| CE2 | CZ2 | CH2 | CZ3 | 0.2° | 0.0° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | HH2 | 179.8° | 180.0° |
| CZ2 | CE2 | NE1 | HNE1 | 0.1° | 0.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.2° | 0.0° |
| CE3 | CZ3 | CH2 | HH2 | 179.8° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 179.8° | 180.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.1° | 0.0° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.8° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.8° | 180.0° |
| HH2 | CH2 | CZ2 | HZ2 | 0.2° | 0.0° |
| HH2 | CH2 | CZ3 | HZ3 | 0.2° | 0.0° |
