XYC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C04 | sing | 1.55Å | 1.53Å | |
| C08 | C07 | sing | 1.55Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| C04 | CB | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.54Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.54Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C05 | C06 | sing | 1.54Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C08 | C07 | 107.1° | 102.8° |
| C08 | C04 | CB | 110.3° | 110.5° |
| C08 | C04 | C05 | 105.2° | 104.2° |
| C08 | C04 | H8 | 110.0° | 110.6° |
| C04 | C08 | H9 | 110.0° | 110.7° |
| C04 | C08 | H10 | 110.1° | 110.8° |
| C08 | C07 | C06 | 105.8° | 104.2° |
| C07 | C08 | H9 | 110.1° | 110.8° |
| C07 | C08 | H10 | 110.1° | 110.7° |
| C08 | C07 | H11 | 110.4° | 110.5° |
| C08 | C07 | H12 | 110.4° | 110.5° |
| N | CA | CB | 112.0° | 109.5° |
| N | CA | C | 111.0° | 109.4° |
| N | CA | HA | 109.9° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CB | C04 | C05 | 111.1° | 110.5° |
| C04 | CB | CA | 114.6° | 109.5° |
| C04 | CB | H6 | 108.2° | 109.5° |
| C04 | CB | H7 | 108.2° | 109.5° |
| CB | C04 | H8 | 110.0° | 110.4° |
| C04 | C05 | C06 | 103.5° | 106.6° |
| C05 | C04 | H8 | 110.1° | 110.5° |
| C04 | C05 | H15 | 111.0° | 110.0° |
| C04 | C05 | H16 | 111.0° | 110.0° |
| CB | CA | C | 105.3° | 109.5° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | H6 | 108.2° | 109.4° |
| CA | CB | H7 | 108.2° | 109.4° |
| C07 | C06 | C05 | 107.0° | 106.6° |
| C06 | C07 | H11 | 110.4° | 110.5° |
| C06 | C07 | H12 | 110.4° | 110.5° |
| C07 | C06 | H13 | 110.1° | 110.0° |
| C07 | C06 | H14 | 110.1° | 110.0° |
| O | C | CA | 119.2° | 120.0° |
| O | C | OXT | 122.1° | 120.0° |
| C | CA | HA | 109.3° | 109.4° |
| CA | C | OXT | 118.7° | 120.0° |
| C05 | C06 | H13 | 110.1° | 110.0° |
| C05 | C06 | H14 | 110.1° | 110.1° |
| C06 | C05 | H15 | 110.9° | 110.0° |
| C06 | C05 | H16 | 110.9° | 110.1° |
| H | N | H2 | 109.4° | 110.9° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 110.8° |
| H11 | C07 | H12 | 109.4° | 110.6° |
| H13 | C06 | H14 | 109.5° | 110.0° |
| H15 | C05 | H16 | 109.4° | 110.1° |
| C | OXT | HXT | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C08 | C07 | H9 | 119.6° | 118.3° |
| C04 | C08 | C07 | H10 | 119.6° | 118.4° |
| C08 | C04 | CB | C05 | 116.2° | 114.8° |
| C08 | C04 | CB | H8 | 121.5° | 122.7° |
| C08 | C04 | C05 | H8 | 118.5° | 118.9° |
| C08 | C04 | CB | CA | 173.8° | 70.5° |
| C04 | C08 | C07 | C06 | 3.5° | 37.9° |
| C08 | C04 | C05 | C06 | 33.4° | 23.6° |
| C08 | C04 | CB | H6 | 65.4° | 49.5° |
| C08 | C04 | CB | H7 | 53.1° | 169.5° |
| C04 | C08 | H9 | H10 | 121.1° | 123.3° |
| C04 | C08 | C07 | H11 | 122.9° | 80.7° |
| C04 | C08 | C07 | H12 | 116.0° | 156.6° |
| C08 | C04 | C05 | H15 | 152.4° | 95.6° |
| C08 | C04 | C05 | H16 | 85.6° | 142.9° |
| C07 | C08 | C04 | CB | 96.8° | 156.6° |
| C07 | C08 | C04 | C05 | 23.0° | 37.9° |
| C08 | C07 | C06 | H11 | 119.4° | 118.6° |
| C08 | C07 | C06 | H12 | 119.4° | 118.7° |
| C08 | C07 | C06 | C05 | 17.6° | 23.6° |
| C07 | C08 | C04 | H8 | 141.6° | 80.8° |
| C07 | C08 | H9 | H10 | 121.1° | 123.3° |
| C08 | C07 | H11 | H12 | 121.6° | 122.6° |
| C08 | C07 | C06 | H13 | 137.3° | 142.9° |
| C08 | C07 | C06 | H14 | 102.0° | 95.7° |
| N | CA | CB | C04 | 65.4° | 174.0° |
| N | CA | CB | C | 120.8° | 120.0° |
| N | CA | CB | HA | 121.9° | 120.0° |
| N | CA | C | O | 14.9° | 20.1° |
| N | CA | C | HA | 121.4° | 119.9° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H6 | 173.8° | 54.0° |
| N | CA | CB | H7 | 55.3° | 66.0° |
| N | CA | C | OXT | 164.3° | 160.3° |
| CB | C04 | C05 | H8 | 122.2° | 122.5° |
| C04 | CB | CA | H6 | 120.7° | 120.0° |
| C04 | CB | CA | H7 | 120.7° | 120.0° |
| C04 | CB | CA | C | 173.8° | 66.0° |
| CB | C04 | C05 | C06 | 86.0° | 142.3° |
| C04 | CB | CA | HA | 56.5° | 54.0° |
| C04 | CB | H6 | H7 | 117.7° | 120.1° |
| CB | C04 | C08 | H9 | 143.5° | 85.1° |
| CB | C04 | C08 | H10 | 22.8° | 38.3° |
| CB | C04 | C05 | H15 | 33.1° | 23.0° |
| CB | C04 | C05 | H16 | 155.0° | 98.4° |
| C05 | C04 | CB | CA | 69.9° | 174.7° |
| C04 | C05 | C06 | C07 | 31.7° | 0.0° |
| C04 | C05 | C06 | H15 | 119.1° | 119.3° |
| C04 | C05 | C06 | H16 | 119.0° | 119.3° |
| C05 | C04 | CB | H6 | 50.8° | 65.3° |
| C05 | C04 | CB | H7 | 169.3° | 54.8° |
| C05 | C04 | C08 | H9 | 96.6° | 156.3° |
| C05 | C04 | C08 | H10 | 142.7° | 80.4° |
| C04 | C05 | C06 | H13 | 151.3° | 119.2° |
| C04 | C05 | C06 | H14 | 87.9° | 119.3° |
| C04 | C05 | H15 | H16 | 122.8° | 121.4° |
| CB | CA | C | O | 106.6° | 100.0° |
| CB | CA | C | HA | 117.2° | 120.0° |
| CB | CA | N | H | 180.0° | 64.7° |
| CB | CA | N | H2 | 60.0° | 59.1° |
| CA | CB | H6 | H7 | 117.7° | 119.9° |
| CA | CB | C04 | H8 | 52.3° | 52.2° |
| CB | CA | C | OXT | 74.2° | 79.7° |
| C07 | C06 | C05 | H13 | 119.6° | 119.2° |
| C07 | C06 | C05 | H14 | 119.6° | 119.3° |
| C06 | C07 | C08 | H9 | 116.1° | 156.2° |
| C06 | C07 | C08 | H10 | 123.1° | 80.4° |
| C06 | C07 | H11 | H12 | 121.7° | 122.6° |
| C07 | C06 | H13 | H14 | 121.1° | 121.4° |
| C07 | C06 | C05 | H15 | 150.8° | 119.3° |
| C07 | C06 | C05 | H16 | 87.3° | 119.3° |
| O | C | CA | OXT | 179.2° | 179.7° |
| O | C | CA | HA | 136.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | H | 62.6° | 55.3° |
| C | CA | N | H2 | 57.4° | 179.2° |
| C | CA | CB | H6 | 53.0° | 174.0° |
| C | CA | CB | H7 | 65.5° | 54.0° |
| CA | C | OXT | HXT | 179.1° | 179.7° |
| C06 | C05 | C04 | H8 | 151.9° | 95.2° |
| C05 | C06 | C07 | H11 | 101.8° | 95.0° |
| C05 | C06 | C07 | H12 | 137.1° | 142.3° |
| C05 | C06 | H13 | H14 | 121.2° | 121.5° |
| C06 | C05 | H15 | H16 | 122.7° | 121.4° |
| HA | CA | N | H | 58.5° | 175.2° |
| HA | CA | N | H2 | 178.5° | 60.9° |
| HA | CA | CB | H6 | 64.2° | 66.0° |
| HA | CA | CB | H7 | 177.2° | 174.0° |
| HA | CA | C | OXT | 42.9° | 40.3° |
| H6 | CB | C04 | H8 | 173.0° | 172.2° |
| H7 | CB | C04 | H8 | 68.4° | 67.8° |
| H8 | C04 | C08 | H9 | 22.0° | 37.5° |
| H8 | C04 | C08 | H10 | 98.8° | 160.9° |
| H8 | C04 | C05 | H15 | 89.1° | 145.5° |
| H8 | C04 | C05 | H16 | 32.8° | 24.0° |
| H9 | C08 | C07 | H11 | 3.3° | 37.6° |
| H9 | C08 | C07 | H12 | 124.4° | 85.1° |
| H10 | C08 | C07 | H11 | 117.4° | 161.0° |
| H10 | C08 | C07 | H12 | 3.6° | 38.3° |
| H11 | C07 | C06 | H13 | 17.8° | 24.2° |
| H11 | C07 | C06 | H14 | 138.6° | 145.6° |
| H12 | C07 | C06 | H13 | 103.3° | 98.4° |
| H12 | C07 | C06 | H14 | 17.4° | 22.9° |
| H13 | C06 | C05 | H15 | 89.6° | 121.5° |
| H13 | C06 | C05 | H16 | 32.3° | 0.0° |
| H14 | C06 | C05 | H15 | 31.2° | 0.0° |
| H14 | C06 | C05 | H16 | 153.0° | 121.4° |
