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Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C2 | sing | 1.53Å | 1.54Å | |
| C2 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C | sing | 1.35Å | 1.34Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.35Å | 1.34Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H1 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | C1 | sing | 1.53Å | 32.75Å | |
| C1 | C3 | sing | 1.53Å | 0.00Å | |
| C1 | C4 | sing | 1.53Å | 0.00Å | |
| C1 | H4 | sing | 1.09Å | 0.00Å | |
| C3 | H9 | sing | 1.09Å | 0.00Å | |
| C3 | H12 | sing | 1.09Å | 0.00Å | |
| C3 | H13 | sing | 1.09Å | 0.00Å | |
| C4 | H14 | sing | 1.09Å | 0.00Å | |
| C4 | H15 | sing | 1.09Å | 0.00Å | |
| C4 | H16 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 112.6° | 109.5° |
| N | CA | C2 | 110.1° | 109.5° |
| N | CA | HA | 108.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| CB | CA | C2 | 110.1° | 109.5° |
| CB | CA | HA | 107.7° | 109.5° |
| CA | CB | H1 | 107.2° | 109.4° |
| CA | CB | H3 | 107.2° | 109.5° |
| CA | CB | C1 | 118.2° | 109.4° |
| CA | C2 | N2 | 107.1° | 109.5° |
| C2 | CA | HA | 107.7° | 109.4° |
| CA | C2 | H5 | 110.1° | 109.5° |
| CA | C2 | H6 | 110.0° | 109.4° |
| C2 | N2 | C | 122.3° | 120.0° |
| N2 | C2 | H5 | 110.0° | 109.5° |
| N2 | C2 | H6 | 110.1° | 109.5° |
| C2 | N2 | H10 | 118.9° | 120.0° |
| N2 | C | O | 123.6° | 120.0° |
| N2 | C | OXT | 113.7° | 120.0° |
| C | N2 | H10 | 118.9° | 120.0° |
| O | C | OXT | 122.2° | 120.1° |
| C | OXT | HXT | 109.5° | 116.9° |
| H1 | CB | H3 | 109.5° | 109.5° |
| H1 | CB | C1 | 107.2° | 109.5° |
| H3 | CB | C1 | 107.2° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | C1 | C3 | 90.0° | 109.5° |
| CB | C1 | C4 | 90.0° | 109.4° |
| CB | C1 | H4 | 90.0° | 109.5° |
| C3 | C1 | C4 | 90.0° | 109.5° |
| C3 | C1 | H4 | 90.0° | 109.5° |
| C1 | C3 | H9 | 90.0° | 109.5° |
| C1 | C3 | H12 | 90.0° | 109.5° |
| C1 | C3 | H13 | 90.0° | 109.5° |
| C4 | C1 | H4 | 90.0° | 109.5° |
| C1 | C4 | H14 | 90.0° | 109.5° |
| C1 | C4 | H15 | 90.0° | 109.5° |
| C1 | C4 | H16 | 90.0° | 109.5° |
| H9 | C3 | H12 | 90.0° | 109.5° |
| H9 | C3 | H13 | 90.0° | 109.4° |
| H12 | C3 | H13 | 90.0° | 109.5° |
| H14 | C4 | H15 | 90.0° | 109.4° |
| H14 | C4 | H16 | 90.0° | 109.5° |
| H15 | C4 | H16 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C2 | 123.4° | 120.0° |
| N | CA | CB | HA | 119.5° | 120.1° |
| N | CA | C2 | HA | 118.0° | 120.0° |
| N | CA | C2 | N2 | 49.9° | 55.0° |
| N | CA | CB | H1 | 36.1° | 54.3° |
| N | CA | CB | H3 | 153.6° | 65.7° |
| N | CA | C2 | H5 | 169.5° | 175.0° |
| N | CA | C2 | H6 | 69.8° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | C1 | 85.2° | 174.3° |
| CB | CA | C2 | HA | 117.2° | 120.0° |
| CB | CA | C2 | N2 | 174.7° | 175.0° |
| CA | CB | H1 | H3 | 116.0° | 120.0° |
| CA | CB | H1 | C1 | 128.0° | 120.0° |
| CA | CB | H3 | C1 | 127.9° | 120.0° |
| CB | CA | C2 | H5 | 65.7° | 65.0° |
| CB | CA | C2 | H6 | 55.1° | 55.0° |
| CB | CA | N | H | 180.0° | 54.8° |
| CB | CA | N | H2 | 60.0° | 69.2° |
| CA | CB | C1 | C3 | 90.0° | 65.2° |
| CA | CB | C1 | C4 | 90.0° | 174.8° |
| CA | CB | C1 | H4 | 90.0° | 54.8° |
| CA | C2 | N2 | H5 | 119.6° | 120.0° |
| CA | C2 | N2 | H6 | 119.6° | 119.9° |
| CA | C2 | N2 | C | 97.7° | 180.0° |
| C2 | CA | CB | H1 | 87.3° | 174.3° |
| C2 | CA | CB | H3 | 30.2° | 54.3° |
| CA | C2 | H5 | H6 | 121.1° | 120.0° |
| C2 | CA | N | H | 56.6° | 65.1° |
| C2 | CA | N | H2 | 63.4° | 170.9° |
| CA | C2 | N2 | H10 | 82.3° | 0.1° |
| C2 | CA | CB | C1 | 151.4° | 65.7° |
| C2 | N2 | C | H10 | 180.0° | 179.9° |
| C2 | N2 | C | O | 9.9° | 0.1° |
| C2 | N2 | C | OXT | 178.1° | 180.0° |
| N2 | C2 | CA | HA | 68.1° | 65.0° |
| N2 | C2 | H5 | H6 | 121.1° | 120.0° |
| N2 | C | O | OXT | 171.4° | 179.9° |
| C | N2 | C2 | H5 | 22.0° | 59.9° |
| C | N2 | C2 | H6 | 142.7° | 60.1° |
| N2 | C | OXT | HXT | 172.2° | 179.9° |
| O | C | N2 | H10 | 170.1° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | N2 | H10 | 2.0° | 0.1° |
| HA | CA | CB | H1 | 155.6° | 65.7° |
| HA | CA | CB | H3 | 86.9° | 174.2° |
| HA | CA | C2 | H5 | 51.5° | 55.0° |
| HA | CA | C2 | H6 | 172.2° | 175.0° |
| HA | CA | N | H | 61.0° | 174.9° |
| HA | CA | N | H2 | 179.1° | 50.9° |
| HA | CA | CB | C1 | 34.3° | 54.3° |
| H1 | CB | H3 | C1 | 116.0° | 120.0° |
| H1 | CB | C1 | C3 | 90.0° | 54.8° |
| H1 | CB | C1 | C4 | 90.0° | 65.2° |
| H1 | CB | C1 | H4 | 90.0° | 174.8° |
| H3 | CB | C1 | C3 | 90.0° | 174.8° |
| H3 | CB | C1 | C4 | 90.0° | 54.8° |
| H3 | CB | C1 | H4 | 90.0° | 65.1° |
| H5 | C2 | N2 | H10 | 158.0° | 120.0° |
| H6 | C2 | N2 | H10 | 37.3° | 120.0° |
| CB | C1 | C3 | C4 | 90.0° | 120.0° |
| CB | C1 | C3 | H4 | 90.0° | 120.0° |
| CB | C1 | C4 | H4 | 90.0° | 120.0° |
| CB | C1 | C3 | H9 | 90.0° | 174.0° |
| CB | C1 | C3 | H12 | 90.0° | 65.9° |
| CB | C1 | C3 | H13 | 90.0° | 54.1° |
| CB | C1 | C4 | H14 | 90.0° | 60.0° |
| CB | C1 | C4 | H15 | 90.0° | 180.0° |
| CB | C1 | C4 | H16 | 90.0° | 60.1° |
| C3 | C1 | C4 | H4 | 90.0° | 120.0° |
| C1 | C3 | H9 | H12 | 90.0° | 120.0° |
| C1 | C3 | H9 | H13 | 90.0° | 120.0° |
| C1 | C3 | H12 | H13 | 90.0° | 120.0° |
| C3 | C1 | C4 | H14 | 90.0° | 180.0° |
| C3 | C1 | C4 | H15 | 90.0° | 60.0° |
| C3 | C1 | C4 | H16 | 90.0° | 59.9° |
| C4 | C1 | C3 | H9 | 90.0° | 54.1° |
| C4 | C1 | C3 | H12 | 90.0° | 174.1° |
| C4 | C1 | C3 | H13 | 90.0° | 65.9° |
| C1 | C4 | H14 | H15 | 90.0° | 120.0° |
| C1 | C4 | H14 | H16 | 90.0° | 120.1° |
| C1 | C4 | H15 | H16 | 90.0° | 120.0° |
| H4 | C1 | C3 | H9 | 90.0° | 66.0° |
| H4 | C1 | C3 | H12 | 90.0° | 54.1° |
| H4 | C1 | C3 | H13 | 90.0° | 174.1° |
| H4 | C1 | C4 | H14 | 90.0° | 59.9° |
| H4 | C1 | C4 | H15 | 90.0° | 60.0° |
| H4 | C1 | C4 | H16 | 90.0° | 180.0° |
| H9 | C3 | H12 | H13 | 90.0° | 120.0° |
| H14 | C4 | H15 | H16 | 90.0° | 120.0° |
