NRL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.21Å | |
| C | C03 | sing | 1.51Å | 1.51Å | |
| C03 | N04 | sing | 1.46Å | 1.45Å | |
| O09 | C10 | sing | 1.44Å | 1.42Å | |
| O09 | C08 | sing | 1.44Å | 1.37Å | |
| C10 | C05 | sing | 1.54Å | 1.55Å | |
| C08 | CA | sing | 1.54Å | 1.53Å | |
| CA | C05 | sing | 1.55Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N04 | C05 | sing | 1.46Å | 1.49Å | |
| N04 | C11 | sing | 1.35Å | 1.43Å | |
| O22 | C11 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | N13 | sing | 1.47Å | 1.44Å | |
| O21 | C14 | doub | 1.22Å | 1.23Å | |
| N13 | C14 | sing | 1.35Å | 1.45Å | |
| N13 | C18 | sing | 1.36Å | 1.39Å | |
| C14 | N15 | sing | 1.33Å | 1.41Å | |
| C18 | C17 | doub | 1.35Å | 1.36Å | |
| N15 | C16 | doub | 1.33Å | 1.33Å | |
| C17 | C16 | sing | 1.41Å | 1.44Å | |
| C16 | N19 | sing | 1.38Å | 1.39Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N19 | H192 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C03 | 115.5° | 120.0° |
| O | C | OXT | 133.9° | 120.0° |
| C | C03 | N04 | 121.0° | 109.5° |
| C | C03 | H032 | 106.5° | 109.5° |
| C | C03 | H031 | 106.5° | 109.4° |
| C03 | C | OXT | 108.1° | 120.0° |
| C03 | N04 | C05 | 116.8° | 120.0° |
| C03 | N04 | C11 | 121.8° | 120.0° |
| N04 | C03 | H032 | 106.5° | 109.5° |
| N04 | C03 | H031 | 106.5° | 109.5° |
| C10 | O09 | C08 | 111.8° | 105.3° |
| O09 | C10 | C05 | 107.7° | 104.8° |
| O09 | C10 | H101 | 109.9° | 110.4° |
| O09 | C10 | H102 | 109.9° | 110.5° |
| O09 | C08 | CA | 107.4° | 104.8° |
| O09 | C08 | H082 | 110.0° | 110.4° |
| O09 | C08 | H081 | 110.0° | 110.5° |
| C10 | C05 | CA | 100.3° | 104.1° |
| C10 | C05 | N04 | 116.2° | 110.5° |
| C05 | C10 | H101 | 109.9° | 110.4° |
| C05 | C10 | H102 | 109.9° | 110.4° |
| C10 | C05 | H051 | 107.6° | 110.5° |
| C08 | CA | C05 | 102.6° | 104.0° |
| C08 | CA | N | 112.2° | 110.5° |
| C08 | CA | HA | 110.1° | 110.6° |
| CA | C08 | H082 | 110.0° | 110.3° |
| CA | C08 | H081 | 110.0° | 110.4° |
| C05 | CA | N | 111.0° | 110.5° |
| CA | C05 | N04 | 116.3° | 110.6° |
| CA | C05 | H051 | 107.5° | 110.5° |
| C05 | CA | HA | 109.7° | 110.5° |
| N | CA | HA | 111.0° | 110.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C05 | N04 | C11 | 120.9° | 120.0° |
| N04 | C05 | H051 | 108.3° | 110.5° |
| N04 | C11 | O22 | 121.1° | 120.0° |
| N04 | C11 | C12 | 122.8° | 120.0° |
| O22 | C11 | C12 | 116.0° | 120.0° |
| C11 | C12 | N13 | 113.0° | 109.5° |
| C11 | C12 | H122 | 108.6° | 109.5° |
| C11 | C12 | H121 | 108.6° | 109.5° |
| C12 | N13 | C14 | 118.8° | 119.8° |
| C12 | N13 | C18 | 122.4° | 119.8° |
| N13 | C12 | H122 | 108.6° | 109.4° |
| N13 | C12 | H121 | 108.5° | 109.4° |
| O21 | C14 | N13 | 116.7° | 119.5° |
| O21 | C14 | N15 | 123.1° | 119.4° |
| C14 | N13 | C18 | 118.7° | 120.4° |
| N13 | C14 | N15 | 119.4° | 121.1° |
| N13 | C18 | C17 | 120.6° | 119.3° |
| N13 | C18 | H181 | 119.7° | 120.4° |
| C14 | N15 | C16 | 119.2° | 120.7° |
| C18 | C17 | C16 | 118.9° | 118.9° |
| C18 | C17 | H171 | 120.6° | 120.5° |
| C17 | C18 | H181 | 119.7° | 120.3° |
| N15 | C16 | C17 | 122.5° | 119.6° |
| N15 | C16 | N19 | 119.9° | 120.2° |
| C17 | C16 | N19 | 117.5° | 120.2° |
| C16 | C17 | H171 | 120.5° | 120.6° |
| C16 | N19 | H192 | 120.0° | 120.0° |
| C16 | N19 | H191 | 120.0° | 120.0° |
| H101 | C10 | H102 | 109.4° | 110.3° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 110.3° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H192 | N19 | H191 | 120.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C03 | OXT | 165.0° | 180.0° |
| O | C | C03 | N04 | 156.1° | 0.0° |
| O | C | C03 | H032 | 82.3° | 120.0° |
| O | C | C03 | H031 | 34.5° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | C03 | N04 | H032 | 121.6° | 120.0° |
| C | C03 | N04 | H031 | 121.6° | 120.0° |
| C | C03 | N04 | C05 | 127.0° | 90.0° |
| C | C03 | N04 | C11 | 61.3° | 90.0° |
| C | C03 | H032 | H031 | 114.8° | 120.0° |
| C03 | C | OXT | HXT | 161.0° | 180.0° |
| C03 | N04 | C05 | C10 | 56.0° | 121.5° |
| C03 | N04 | C05 | CA | 61.7° | 123.8° |
| C03 | N04 | C05 | C11 | 171.8° | 180.0° |
| C03 | N04 | C11 | O22 | 8.0° | 180.0° |
| C03 | N04 | C11 | C12 | 174.7° | 0.1° |
| N04 | C03 | H032 | H031 | 114.8° | 120.0° |
| C03 | N04 | C05 | H051 | 177.2° | 1.1° |
| N04 | C03 | C | OXT | 38.9° | 180.0° |
| O09 | C10 | C05 | H101 | 119.7° | 118.9° |
| O09 | C10 | C05 | H102 | 119.8° | 119.0° |
| C10 | O09 | C08 | CA | 14.7° | 40.6° |
| O09 | C10 | C05 | CA | 23.4° | 24.0° |
| O09 | C10 | C05 | N04 | 149.6° | 94.8° |
| O09 | C10 | H101 | H102 | 120.8° | 122.4° |
| O09 | C10 | C05 | H051 | 88.8° | 142.6° |
| C10 | O09 | C08 | H082 | 105.0° | 159.3° |
| C10 | O09 | C08 | H081 | 134.3° | 78.4° |
| C08 | O09 | C10 | C05 | 6.2° | 40.5° |
| O09 | C08 | CA | H082 | 119.7° | 118.8° |
| O09 | C08 | CA | H081 | 119.7° | 119.0° |
| O09 | C08 | CA | C05 | 29.0° | 24.0° |
| O09 | C08 | CA | N | 148.2° | 142.6° |
| C08 | O09 | C10 | H101 | 113.5° | 78.3° |
| C08 | O09 | C10 | H102 | 126.0° | 159.4° |
| O09 | C08 | CA | HA | 87.7° | 94.7° |
| O09 | C08 | H082 | H081 | 121.0° | 122.4° |
| C10 | C05 | CA | C08 | 30.3° | 0.0° |
| C10 | C05 | CA | N04 | 126.2° | 118.7° |
| C10 | C05 | CA | H051 | 112.3° | 118.6° |
| C10 | C05 | CA | N | 150.3° | 118.6° |
| C10 | C05 | N04 | H051 | 121.2° | 122.6° |
| C10 | C05 | N04 | C11 | 132.2° | 58.6° |
| C05 | C10 | H101 | H102 | 120.8° | 122.2° |
| C10 | C05 | CA | HA | 86.6° | 118.8° |
| C08 | CA | C05 | N | 120.0° | 118.6° |
| C08 | CA | C05 | HA | 117.0° | 118.8° |
| C08 | CA | N | HA | 123.6° | 122.8° |
| C08 | CA | C05 | N04 | 156.5° | 118.7° |
| C08 | CA | C05 | H051 | 82.0° | 118.6° |
| CA | C08 | H082 | H081 | 121.0° | 122.2° |
| C08 | CA | N | H | 180.0° | 65.4° |
| C08 | CA | N | H2 | 60.0° | 170.7° |
| C05 | CA | N | HA | 122.3° | 122.6° |
| CA | C05 | N04 | H051 | 121.1° | 122.7° |
| CA | C05 | N04 | C11 | 110.0° | 56.1° |
| CA | C05 | C10 | H101 | 96.4° | 94.9° |
| CA | C05 | C10 | H102 | 143.1° | 142.9° |
| C05 | CA | C08 | H082 | 90.7° | 142.8° |
| C05 | CA | C08 | H081 | 148.6° | 95.0° |
| C05 | CA | N | H | 65.9° | 180.0° |
| C05 | CA | N | H2 | 54.1° | 56.1° |
| N | CA | C05 | N04 | 83.5° | 122.7° |
| N | CA | C05 | H051 | 38.0° | 0.0° |
| N | CA | C08 | H082 | 28.5° | 98.6° |
| N | CA | C08 | H081 | 92.2° | 23.6° |
| CA | N | H | H2 | 120.0° | 124.0° |
| C05 | N04 | C11 | O22 | 179.4° | 0.1° |
| C05 | N04 | C11 | C12 | 3.4° | 180.0° |
| N04 | C05 | C10 | H101 | 29.9° | 146.4° |
| N04 | C05 | C10 | H102 | 90.6° | 24.2° |
| C05 | N04 | C03 | H032 | 5.4° | 30.0° |
| C05 | N04 | C03 | H031 | 111.4° | 150.0° |
| N04 | C05 | CA | HA | 39.6° | 0.1° |
| N04 | C11 | O22 | C12 | 177.4° | 179.9° |
| N04 | C11 | C12 | N13 | 172.5° | 180.0° |
| C11 | N04 | C03 | H032 | 177.1° | 150.1° |
| C11 | N04 | C03 | H031 | 60.3° | 30.0° |
| C11 | N04 | C05 | H051 | 11.0° | 178.8° |
| N04 | C11 | C12 | H122 | 52.0° | 60.0° |
| N04 | C11 | C12 | H121 | 67.0° | 60.1° |
| O22 | C11 | C12 | N13 | 4.8° | 0.0° |
| O22 | C11 | C12 | H122 | 125.4° | 120.0° |
| O22 | C11 | C12 | H121 | 115.7° | 120.0° |
| C11 | C12 | N13 | H122 | 120.5° | 120.0° |
| C11 | C12 | N13 | H121 | 120.5° | 120.0° |
| C11 | C12 | N13 | C14 | 86.5° | 90.0° |
| C11 | C12 | N13 | C18 | 89.3° | 90.0° |
| C11 | C12 | H122 | H121 | 118.4° | 120.0° |
| C12 | N13 | C14 | O21 | 3.5° | 0.3° |
| C12 | N13 | C14 | C18 | 176.0° | 180.0° |
| C12 | N13 | C14 | N15 | 173.4° | 180.0° |
| C12 | N13 | C18 | C17 | 177.9° | 179.9° |
| C12 | N13 | C18 | H181 | 2.1° | 0.3° |
| N13 | C12 | H122 | H121 | 118.4° | 120.0° |
| O21 | C14 | N13 | N15 | 169.9° | 179.8° |
| O21 | C14 | N13 | C18 | 179.5° | 179.7° |
| O21 | C14 | N15 | C16 | 177.0° | 180.0° |
| C14 | N13 | C18 | C17 | 6.3° | 0.0° |
| N13 | C14 | N15 | C16 | 7.7° | 0.2° |
| C14 | N13 | C18 | H181 | 173.7° | 179.7° |
| C14 | N13 | C12 | H122 | 34.0° | 30.1° |
| C14 | N13 | C12 | H121 | 153.0° | 150.0° |
| C18 | N13 | C14 | N15 | 10.6° | 0.0° |
| N13 | C18 | C17 | H181 | 180.0° | 179.7° |
| N13 | C18 | C17 | C16 | 0.7° | 0.3° |
| N13 | C18 | C17 | H171 | 179.3° | 179.8° |
| C18 | N13 | C12 | H122 | 150.1° | 150.0° |
| C18 | N13 | C12 | H121 | 31.2° | 30.0° |
| C14 | N15 | C16 | C17 | 0.6° | 0.5° |
| C14 | N15 | C16 | N19 | 175.2° | 180.0° |
| C18 | C17 | C16 | N15 | 3.8° | 0.6° |
| C18 | C17 | C16 | H171 | 180.0° | 179.9° |
| C18 | C17 | C16 | N19 | 179.7° | 180.0° |
| N15 | C16 | C17 | N19 | 176.0° | 179.4° |
| N15 | C16 | C17 | H171 | 176.2° | 179.5° |
| N15 | C16 | N19 | H192 | 0.0° | 179.5° |
| N15 | C16 | N19 | H191 | 180.0° | 0.6° |
| C16 | C17 | C18 | H181 | 179.3° | 180.0° |
| C17 | C16 | N19 | H192 | 176.1° | 0.1° |
| C17 | C16 | N19 | H191 | 3.9° | 180.0° |
| N19 | C16 | C17 | H171 | 0.3° | 0.1° |
| C16 | N19 | H192 | H191 | 180.0° | 179.9° |
| H101 | C10 | C05 | H051 | 151.4° | 23.8° |
| H102 | C10 | C05 | H051 | 30.9° | 98.4° |
| H171 | C17 | C18 | H181 | 0.7° | 0.1° |
| H032 | C03 | C | OXT | 82.7° | 60.0° |
| H031 | C03 | C | OXT | 160.5° | 60.0° |
| H051 | C05 | CA | HA | 161.1° | 122.6° |
| HA | CA | C08 | H082 | 152.6° | 24.1° |
| HA | CA | C08 | H081 | 31.9° | 146.3° |
| HA | CA | N | H | 56.4° | 57.4° |
| HA | CA | N | H2 | 176.4° | 66.6° |
