PRR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.51Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| CA | C5 | sing | 1.53Å | 1.48Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N1 | C2 | sing | 1.32Å | 1.41Å | Aromatic |
| N1 | C9 | doub | 1.32Å | 1.40Å | Aromatic |
| N1 | C10 | sing | 1.47Å | 1.33Å | |
| C2 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C8 | doub | 1.39Å | 1.36Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C8 | sing | 1.51Å | 1.47Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.4° | 111.1° |
| N | CA | C | 110.5° | 109.4° |
| N | CA | C5 | 101.5° | 109.5° |
| N | CA | HA | 121.8° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
| C | CA | C5 | 125.8° | 109.4° |
| C | CA | HA | 94.4° | 109.5° |
| CA | C | O | 124.9° | 120.0° |
| CA | C | OXT | 117.5° | 120.0° |
| C5 | CA | HA | 104.6° | 109.5° |
| CA | C5 | C8 | 110.9° | 109.4° |
| CA | C5 | H51 | 109.0° | 109.5° |
| CA | C5 | H52 | 109.0° | 109.5° |
| O | C | OXT | 117.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C2 | N1 | C9 | 121.6° | 121.8° |
| C2 | N1 | C10 | 120.3° | 119.1° |
| N1 | C2 | C3 | 117.5° | 120.7° |
| N1 | C2 | HC2 | 121.2° | 119.7° |
| C9 | N1 | C10 | 118.1° | 119.1° |
| N1 | C9 | C8 | 117.9° | 120.8° |
| N1 | C9 | H9 | 121.1° | 119.7° |
| N1 | C10 | H101 | 109.5° | 109.5° |
| N1 | C10 | H102 | 109.5° | 109.5° |
| N1 | C10 | H103 | 109.5° | 109.5° |
| C3 | C2 | HC2 | 121.3° | 119.6° |
| C2 | C3 | C4 | 122.4° | 119.1° |
| C2 | C3 | H3 | 118.8° | 120.4° |
| C4 | C3 | H3 | 118.8° | 120.5° |
| C3 | C4 | C8 | 120.4° | 118.5° |
| C3 | C4 | H4 | 119.8° | 120.8° |
| C8 | C4 | H4 | 119.8° | 120.7° |
| C4 | C8 | C5 | 120.9° | 120.5° |
| C4 | C8 | C9 | 120.1° | 119.1° |
| C8 | C5 | H51 | 109.0° | 109.5° |
| C8 | C5 | H52 | 109.0° | 109.5° |
| C5 | C8 | C9 | 118.8° | 120.4° |
| H51 | C5 | H52 | 110.0° | 109.5° |
| C8 | C9 | H9 | 121.1° | 119.6° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.1° |
| N | CA | C | C5 | 122.2° | 119.9° |
| N | CA | C | HA | 126.3° | 120.1° |
| N | CA | C5 | HA | 127.5° | 120.1° |
| N | CA | C | O | 29.9° | 19.9° |
| N | CA | C | OXT | 150.1° | 160.0° |
| N | CA | C5 | C8 | 91.4° | 65.0° |
| N | CA | C5 | H51 | 28.6° | 55.0° |
| N | CA | C5 | H52 | 148.6° | 175.0° |
| H | N | CA | C | 180.0° | 64.1° |
| H | N | CA | C5 | 44.5° | 176.0° |
| H | N | CA | HA | 70.9° | 56.0° |
| H2 | N | CA | C | 60.0° | 60.0° |
| H2 | N | CA | C5 | 164.5° | 59.9° |
| H2 | N | CA | HA | 49.1° | 180.0° |
| C | CA | C5 | HA | 106.5° | 120.0° |
| CA | C | O | OXT | 180.0° | 179.9° |
| C | CA | C5 | C8 | 142.5° | 175.1° |
| C | CA | C5 | H51 | 97.5° | 64.9° |
| C | CA | C5 | H52 | 22.6° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| C5 | CA | C | O | 92.4° | 100.0° |
| C5 | CA | C | OXT | 87.7° | 80.0° |
| CA | C5 | C8 | C4 | 73.0° | 90.1° |
| CA | C5 | C8 | H51 | 120.0° | 120.0° |
| CA | C5 | C8 | H52 | 120.0° | 120.0° |
| CA | C5 | H51 | H52 | 119.4° | 120.0° |
| CA | C5 | C8 | C9 | 101.8° | 90.0° |
| HA | CA | C | O | 156.2° | 140.0° |
| HA | CA | C | OXT | 23.8° | 40.0° |
| HA | CA | C5 | C8 | 36.0° | 55.0° |
| HA | CA | C5 | H51 | 156.0° | 175.1° |
| HA | CA | C5 | H52 | 84.0° | 65.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C2 | N1 | C9 | C10 | 178.6° | 179.7° |
| N1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 1.2° | 0.1° |
| N1 | C2 | C3 | H3 | 178.8° | 180.0° |
| C2 | N1 | C9 | C8 | 2.5° | 0.0° |
| C2 | N1 | C9 | H9 | 177.5° | 180.0° |
| C2 | N1 | C10 | H101 | 180.0° | 90.0° |
| C2 | N1 | C10 | H102 | 60.0° | 150.0° |
| C2 | N1 | C10 | H103 | 60.0° | 30.0° |
| C9 | N1 | C2 | C3 | 0.1° | 0.0° |
| C9 | N1 | C2 | HC2 | 179.9° | 180.0° |
| N1 | C9 | C8 | C4 | 4.2° | 0.0° |
| N1 | C9 | C8 | C5 | 179.0° | 180.0° |
| N1 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | N1 | C10 | H101 | 1.3° | 90.3° |
| C9 | N1 | C10 | H102 | 118.7° | 29.7° |
| C9 | N1 | C10 | H103 | 121.4° | 149.7° |
| C10 | N1 | C2 | C3 | 178.5° | 179.7° |
| C10 | N1 | C2 | HC2 | 1.5° | 0.3° |
| C10 | N1 | C9 | C8 | 178.8° | 179.7° |
| C10 | N1 | C9 | H9 | 1.2° | 0.3° |
| N1 | C10 | H101 | H102 | 120.0° | 120.0° |
| N1 | C10 | H101 | H103 | 120.0° | 120.1° |
| N1 | C10 | H102 | H103 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C8 | 0.5° | 0.1° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| HC2 | C2 | C3 | C4 | 178.8° | 180.0° |
| HC2 | C2 | C3 | H3 | 1.2° | 0.1° |
| C3 | C4 | C8 | H4 | 180.0° | 179.9° |
| C3 | C4 | C8 | C5 | 178.0° | 180.0° |
| C3 | C4 | C8 | C9 | 3.3° | 0.1° |
| H3 | C3 | C4 | C8 | 179.5° | 180.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.1° |
| C4 | C8 | C5 | C9 | 174.8° | 179.9° |
| C4 | C8 | C5 | H51 | 47.0° | 29.9° |
| C4 | C8 | C5 | H52 | 167.0° | 150.0° |
| C4 | C8 | C9 | H9 | 175.8° | 180.0° |
| H4 | C4 | C8 | C5 | 2.0° | 0.1° |
| H4 | C4 | C8 | C9 | 176.7° | 180.0° |
| C8 | C5 | H51 | H52 | 119.4° | 120.0° |
| C5 | C8 | C9 | H9 | 1.0° | 0.0° |
| H51 | C5 | C8 | C9 | 138.2° | 150.0° |
| H52 | C5 | C8 | C9 | 18.2° | 30.0° |
| H101 | C10 | H102 | H103 | 120.0° | 119.9° |
