FIO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.40Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C15 | CA | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | N18 | sing | 1.47Å | 1.48Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C19 | N18 | sing | 1.37Å | 1.38Å | |
| C19 | N21 | doub | 1.29Å | 1.28Å | |
| C20 | C19 | sing | 1.51Å | 1.45Å | |
| C20 | F1 | sing | 1.40Å | 1.37Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 4.55Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C | 110.0° | 109.5° |
| N | CA | HA | 109.3° | 109.4° |
| N | CA | C15 | 110.3° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.4° | 111.0° |
| C | CA | HA | 108.6° | 109.5° |
| CA | C | O | 121.0° | 120.0° |
| C | CA | C15 | 111.1° | 109.5° |
| CA | C | OXT | 62.0° | 120.0° |
| HA | CA | C15 | 107.4° | 109.4° |
| O | C | OXT | 89.8° | 120.0° |
| CA | C15 | C16 | 113.8° | 109.5° |
| CA | C15 | H15 | 108.4° | 109.5° |
| CA | C15 | H15A | 108.4° | 109.5° |
| C16 | C15 | H15 | 108.4° | 109.5° |
| C16 | C15 | H15A | 108.4° | 109.4° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C15 | C16 | H16 | 108.8° | 109.5° |
| C15 | C16 | H16A | 108.8° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| C17 | C16 | H16 | 108.8° | 109.5° |
| C17 | C16 | H16A | 108.8° | 109.5° |
| C16 | C17 | N18 | 110.6° | 109.5° |
| C16 | C17 | H17 | 109.2° | 109.5° |
| C16 | C17 | H17A | 109.2° | 109.5° |
| H16 | C16 | H16A | 109.4° | 109.4° |
| N18 | C17 | H17 | 109.2° | 109.5° |
| N18 | C17 | H17A | 109.2° | 109.4° |
| C17 | N18 | HN18 | 123.3° | 120.0° |
| C17 | N18 | C19 | 113.3° | 120.0° |
| H17 | C17 | H17A | 109.4° | 109.5° |
| HN18 | N18 | C19 | 123.3° | 120.0° |
| N18 | C19 | N21 | 118.7° | 120.0° |
| N18 | C19 | C20 | 121.1° | 120.0° |
| N21 | C19 | C20 | 120.2° | 120.0° |
| C19 | N21 | HN21 | 112.0° | 120.0° |
| C19 | C20 | F1 | 110.1° | 109.5° |
| C19 | C20 | H20 | 109.4° | 109.5° |
| C19 | C20 | H20A | 109.4° | 109.5° |
| F1 | C20 | H20 | 109.3° | 109.4° |
| F1 | C20 | H20A | 109.3° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.8° |
| N | CA | C | HA | 119.7° | 120.0° |
| N | CA | C | C15 | 122.4° | 120.0° |
| N | CA | HA | C15 | 119.7° | 120.0° |
| N | CA | C | O | 61.8° | 20.0° |
| N | CA | C15 | C16 | 66.4° | 65.0° |
| N | CA | C15 | H15 | 54.2° | 55.1° |
| N | CA | C15 | H15A | 172.9° | 175.1° |
| N | CA | C | OXT | 9.3° | 160.0° |
| H | N | CA | C | 180.0° | 63.9° |
| H | N | CA | HA | 60.8° | 56.1° |
| H | N | CA | C15 | 57.1° | 176.1° |
| C | CA | HA | C15 | 120.2° | 120.0° |
| CA | C | O | OXT | 56.7° | 180.0° |
| C | CA | C15 | C16 | 171.3° | 175.0° |
| C | CA | C15 | H15 | 68.0° | 65.0° |
| C | CA | C15 | H15A | 50.7° | 55.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| HA | CA | C | O | 178.5° | 140.0° |
| HA | CA | C15 | C16 | 52.6° | 55.0° |
| HA | CA | C15 | H15 | 173.3° | 175.0° |
| HA | CA | C15 | H15A | 68.0° | 65.0° |
| HA | CA | N | H2 | 59.2° | 180.0° |
| HA | CA | C | OXT | 110.4° | 39.9° |
| O | C | CA | C15 | 60.6° | 100.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| CA | C15 | C16 | H15 | 120.7° | 120.0° |
| CA | C15 | C16 | H15A | 120.6° | 120.0° |
| CA | C15 | H15 | H15A | 118.0° | 120.0° |
| CA | C15 | C16 | C17 | 177.2° | 180.0° |
| CA | C15 | C16 | H16 | 56.7° | 60.0° |
| CA | C15 | C16 | H16A | 62.4° | 60.0° |
| C15 | CA | N | H2 | 177.1° | 60.1° |
| C15 | CA | C | OXT | 131.7° | 80.0° |
| C16 | C15 | H15 | H15A | 118.0° | 119.9° |
| C15 | C16 | C17 | H16 | 120.4° | 120.0° |
| C15 | C16 | C17 | H16A | 120.4° | 120.0° |
| C15 | C16 | H16 | H16A | 118.7° | 119.9° |
| C15 | C16 | C17 | N18 | 178.3° | 180.0° |
| C15 | C16 | C17 | H17 | 61.5° | 60.0° |
| C15 | C16 | C17 | H17A | 58.2° | 60.0° |
| H15 | C15 | C16 | C17 | 62.2° | 59.9° |
| H15 | C15 | C16 | H16 | 177.4° | 180.0° |
| H15 | C15 | C16 | H16A | 58.3° | 60.1° |
| H15A | C15 | C16 | C17 | 56.5° | 60.0° |
| H15A | C15 | C16 | H16 | 63.9° | 60.0° |
| H15A | C15 | C16 | H16A | 176.9° | 180.0° |
| C17 | C16 | H16 | H16A | 118.8° | 120.0° |
| C16 | C17 | N18 | H17 | 120.2° | 120.1° |
| C16 | C17 | N18 | H17A | 120.2° | 120.0° |
| C16 | C17 | H17 | H17A | 119.5° | 120.0° |
| C16 | C17 | N18 | HN18 | 4.6° | 0.0° |
| C16 | C17 | N18 | C19 | 175.4° | 180.0° |
| H16 | C16 | C17 | N18 | 57.9° | 59.9° |
| H16 | C16 | C17 | H17 | 178.1° | 180.0° |
| H16 | C16 | C17 | H17A | 62.2° | 60.0° |
| H16A | C16 | C17 | N18 | 61.3° | 60.0° |
| H16A | C16 | C17 | H17 | 58.9° | 60.0° |
| H16A | C16 | C17 | H17A | 178.6° | 180.0° |
| N18 | C17 | H17 | H17A | 119.5° | 120.0° |
| C17 | N18 | HN18 | C19 | 180.0° | 180.0° |
| C17 | N18 | C19 | N21 | 94.7° | 0.1° |
| C17 | N18 | C19 | C20 | 85.5° | 180.0° |
| H17 | C17 | N18 | HN18 | 115.6° | 120.1° |
| H17 | C17 | N18 | C19 | 64.4° | 59.9° |
| H17A | C17 | N18 | HN18 | 124.8° | 120.0° |
| H17A | C17 | N18 | C19 | 55.3° | 60.0° |
| HN18 | N18 | C19 | N21 | 85.4° | 179.9° |
| HN18 | N18 | C19 | C20 | 94.4° | 0.0° |
| N18 | C19 | N21 | C20 | 179.8° | 179.9° |
| N18 | C19 | C20 | F1 | 87.6° | 180.0° |
| N18 | C19 | C20 | H20 | 152.3° | 60.0° |
| N18 | C19 | C20 | H20A | 32.5° | 60.0° |
| N18 | C19 | N21 | HN21 | 179.8° | 180.0° |
| N21 | C19 | C20 | F1 | 92.6° | 0.0° |
| N21 | C19 | C20 | H20 | 27.5° | 120.0° |
| N21 | C19 | C20 | H20A | 147.3° | 120.0° |
| C19 | C20 | F1 | H20 | 120.1° | 120.0° |
| C19 | C20 | F1 | H20A | 120.1° | 120.1° |
| C19 | C20 | H20 | H20A | 119.8° | 120.0° |
| C20 | C19 | N21 | HN21 | 0.0° | 0.1° |
| F1 | C20 | H20 | H20A | 119.7° | 120.0° |
