Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.48Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| N1 | HN13 | sing | 1.01Å | 1.00Å | |
| CA1 | C1 | sing | 1.51Å | 1.56Å | |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C1 | O11 | doub | 1.21Å | 1.26Å | |
| C1 | O12 | sing | 1.34Å | 1.25Å | |
| O12 | HO2 | sing | 0.97Å | 0.95Å | |
| CB1 | CG1 | sing | 1.53Å | 1.56Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.51Å | 1.54Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CD1 | OE1 | doub | 1.21Å | 1.24Å | |
| CD1 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | CA2 | sing | 1.47Å | 1.48Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| CA2 | C2 | sing | 1.51Å | 1.59Å | |
| CA2 | CB2 | sing | 1.53Å | 1.54Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| CB2 | SG2 | sing | 1.81Å | 1.84Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| SG2 | HSG | sing | 1.34Å | 1.30Å | |
| N3 | CA3 | sing | 1.46Å | 1.48Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| CA3 | C3 | sing | 1.51Å | 1.53Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O31 | doub | 1.21Å | 1.26Å | |
| C3 | O32 | sing | 1.34Å | 1.24Å | |
| O32 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | HN11 | 109.5° | 109.5° |
| CA1 | N1 | HN12 | 109.4° | 109.4° |
| CA1 | N1 | HN13 | 109.5° | 109.5° |
| N1 | CA1 | C1 | 112.2° | 109.5° |
| N1 | CA1 | CB1 | 108.7° | 109.5° |
| N1 | CA1 | HA1 | 108.0° | 109.5° |
| HN11 | N1 | HN12 | 109.5° | 109.4° |
| HN11 | N1 | HN13 | 109.4° | 109.5° |
| HN12 | N1 | HN13 | 109.5° | 109.5° |
| C1 | CA1 | CB1 | 113.4° | 109.5° |
| C1 | CA1 | HA1 | 107.1° | 109.5° |
| CA1 | C1 | O11 | 120.8° | 120.0° |
| CA1 | C1 | O12 | 117.7° | 120.0° |
| CB1 | CA1 | HA1 | 107.2° | 109.4° |
| CA1 | CB1 | CG1 | 117.1° | 109.4° |
| CA1 | CB1 | HB11 | 107.5° | 109.4° |
| CA1 | CB1 | HB12 | 107.5° | 109.5° |
| O11 | C1 | O12 | 121.5° | 120.0° |
| C1 | O12 | HO2 | 109.5° | 117.0° |
| CG1 | CB1 | HB11 | 107.5° | 109.5° |
| CG1 | CB1 | HB12 | 107.6° | 109.5° |
| CB1 | CG1 | CD1 | 117.5° | 109.4° |
| CB1 | CG1 | HG11 | 107.4° | 109.5° |
| CB1 | CG1 | HG12 | 107.4° | 109.5° |
| HB11 | CB1 | HB12 | 109.4° | 109.5° |
| CD1 | CG1 | HG11 | 107.5° | 109.5° |
| CD1 | CG1 | HG12 | 107.5° | 109.4° |
| CG1 | CD1 | OE1 | 120.7° | 120.0° |
| CG1 | CD1 | N2 | 116.3° | 120.0° |
| HG11 | CG1 | HG12 | 109.5° | 109.5° |
| OE1 | CD1 | N2 | 123.0° | 120.0° |
| CD1 | N2 | CA2 | 120.0° | 120.0° |
| CD1 | N2 | HN2 | 120.0° | 120.0° |
| CA2 | N2 | HN2 | 120.0° | 120.0° |
| N2 | CA2 | C2 | 114.0° | 109.5° |
| N2 | CA2 | CB2 | 108.3° | 109.5° |
| N2 | CA2 | HA2 | 108.8° | 109.4° |
| C2 | CA2 | CB2 | 110.2° | 109.5° |
| C2 | CA2 | HA2 | 107.5° | 109.4° |
| CA2 | C2 | O2 | 118.9° | 120.0° |
| CA2 | C2 | N3 | 114.9° | 120.0° |
| CB2 | CA2 | HA2 | 108.0° | 109.5° |
| CA2 | CB2 | SG2 | 114.6° | 109.5° |
| CA2 | CB2 | HB21 | 108.2° | 109.5° |
| CA2 | CB2 | HB22 | 108.2° | 109.5° |
| O2 | C2 | N3 | 125.9° | 120.0° |
| C2 | N3 | CA3 | 119.2° | 120.0° |
| C2 | N3 | HN3 | 120.4° | 120.0° |
| SG2 | CB2 | HB21 | 108.2° | 109.5° |
| SG2 | CB2 | HB22 | 108.2° | 109.5° |
| CB2 | SG2 | HSG | 102.0° | 103.0° |
| HB21 | CB2 | HB22 | 109.5° | 109.5° |
| CA3 | N3 | HN3 | 120.4° | 120.0° |
| N3 | CA3 | C3 | 114.4° | 109.5° |
| N3 | CA3 | HA31 | 108.2° | 109.5° |
| N3 | CA3 | HA32 | 108.2° | 109.5° |
| C3 | CA3 | HA31 | 108.2° | 109.5° |
| C3 | CA3 | HA32 | 108.2° | 109.5° |
| CA3 | C3 | O31 | 121.4° | 120.0° |
| CA3 | C3 | O32 | 115.2° | 120.0° |
| HA31 | CA3 | HA32 | 109.4° | 109.5° |
| O31 | C3 | O32 | 123.4° | 120.0° |
| C3 | O32 | HO3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | HN11 | HN12 | 120.0° | 119.9° |
| CA1 | N1 | HN11 | HN13 | 120.0° | 120.0° |
| CA1 | N1 | HN12 | HN13 | 120.0° | 120.0° |
| N1 | CA1 | C1 | CB1 | 123.6° | 120.0° |
| N1 | CA1 | C1 | HA1 | 118.4° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 116.5° | 120.0° |
| N1 | CA1 | C1 | O11 | 69.9° | 20.0° |
| N1 | CA1 | C1 | O12 | 110.2° | 160.0° |
| N1 | CA1 | CB1 | CG1 | 172.8° | 65.0° |
| N1 | CA1 | CB1 | HB11 | 66.1° | 55.0° |
| N1 | CA1 | CB1 | HB12 | 51.7° | 175.0° |
| HN11 | N1 | HN12 | HN13 | 120.0° | 120.0° |
| HN11 | N1 | CA1 | C1 | 180.0° | 179.9° |
| HN11 | N1 | CA1 | CB1 | 53.8° | 60.0° |
| HN11 | N1 | CA1 | HA1 | 62.2° | 59.9° |
| HN12 | N1 | CA1 | C1 | 60.0° | 60.0° |
| HN12 | N1 | CA1 | CB1 | 173.8° | 180.0° |
| HN12 | N1 | CA1 | HA1 | 57.9° | 60.0° |
| HN13 | N1 | CA1 | C1 | 60.0° | 60.0° |
| HN13 | N1 | CA1 | CB1 | 66.2° | 60.0° |
| HN13 | N1 | CA1 | HA1 | 177.8° | 179.9° |
| C1 | CA1 | CB1 | HA1 | 118.0° | 120.0° |
| CA1 | C1 | O11 | O12 | 179.9° | 180.0° |
| CA1 | C1 | O12 | HO2 | 179.9° | 180.0° |
| C1 | CA1 | CB1 | CG1 | 47.4° | 175.0° |
| C1 | CA1 | CB1 | HB11 | 168.5° | 65.0° |
| C1 | CA1 | CB1 | HB12 | 73.8° | 55.0° |
| CB1 | CA1 | C1 | O11 | 53.7° | 100.0° |
| CB1 | CA1 | C1 | O12 | 126.2° | 80.0° |
| CA1 | CB1 | CG1 | HB11 | 121.1° | 119.9° |
| CA1 | CB1 | CG1 | HB12 | 121.1° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 116.5° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 124.8° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 114.0° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 3.7° | 60.0° |
| HA1 | CA1 | C1 | O11 | 171.8° | 140.0° |
| HA1 | CA1 | C1 | O12 | 8.1° | 40.0° |
| HA1 | CA1 | CB1 | CG1 | 70.7° | 55.0° |
| HA1 | CA1 | CB1 | HB11 | 50.4° | 175.0° |
| HA1 | CA1 | CB1 | HB12 | 168.2° | 65.0° |
| O11 | C1 | O12 | HO2 | 0.0° | 0.0° |
| CG1 | CB1 | HB11 | HB12 | 116.5° | 120.1° |
| CB1 | CG1 | CD1 | HG11 | 121.1° | 120.1° |
| CB1 | CG1 | CD1 | HG12 | 121.2° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 116.3° | 120.1° |
| CB1 | CG1 | CD1 | OE1 | 21.5° | 0.1° |
| CB1 | CG1 | CD1 | N2 | 158.9° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 3.7° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 124.9° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 117.5° | 59.9° |
| HB12 | CB1 | CG1 | CD1 | 114.0° | 60.1° |
| HB12 | CB1 | CG1 | HG11 | 7.1° | 59.9° |
| HB12 | CB1 | CG1 | HG12 | 124.8° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 116.4° | 120.0° |
| CG1 | CD1 | OE1 | N2 | 179.5° | 179.9° |
| CG1 | CD1 | N2 | CA2 | 173.8° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 6.2° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 99.7° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 79.9° | 59.9° |
| HG12 | CG1 | CD1 | OE1 | 142.6° | 120.0° |
| HG12 | CG1 | CD1 | N2 | 37.8° | 60.0° |
| OE1 | CD1 | N2 | CA2 | 6.6° | 0.0° |
| OE1 | CD1 | N2 | HN2 | 173.4° | 180.0° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 180.0° |
| CD1 | N2 | CA2 | C2 | 83.3° | 155.0° |
| CD1 | N2 | CA2 | CB2 | 153.6° | 85.0° |
| CD1 | N2 | CA2 | HA2 | 36.6° | 35.0° |
| N2 | CA2 | C2 | CB2 | 121.9° | 120.0° |
| N2 | CA2 | C2 | HA2 | 120.6° | 119.9° |
| N2 | CA2 | CB2 | HA2 | 117.6° | 120.0° |
| N2 | CA2 | C2 | O2 | 166.9° | 0.0° |
| N2 | CA2 | C2 | N3 | 18.9° | 180.0° |
| N2 | CA2 | CB2 | SG2 | 66.0° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 54.8° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 173.2° | 180.0° |
| HN2 | N2 | CA2 | C2 | 96.7° | 25.1° |
| HN2 | N2 | CA2 | CB2 | 26.4° | 95.0° |
| HN2 | N2 | CA2 | HA2 | 143.5° | 145.0° |
| C2 | CA2 | CB2 | HA2 | 117.1° | 120.0° |
| CA2 | C2 | O2 | N3 | 173.5° | 179.9° |
| C2 | CA2 | CB2 | SG2 | 168.7° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 70.5° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 48.0° | 60.0° |
| CA2 | C2 | N3 | CA3 | 171.9° | 180.0° |
| CA2 | C2 | N3 | HN3 | 8.1° | 0.1° |
| CB2 | CA2 | C2 | O2 | 71.1° | 120.0° |
| CB2 | CA2 | C2 | N3 | 103.1° | 59.9° |
| CA2 | CB2 | SG2 | HB21 | 120.8° | 120.0° |
| CA2 | CB2 | SG2 | HB22 | 120.8° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 117.7° | 120.0° |
| CA2 | CB2 | SG2 | HSG | 180.0° | 180.0° |
| HA2 | CA2 | C2 | O2 | 46.3° | 120.0° |
| HA2 | CA2 | C2 | N3 | 139.5° | 60.1° |
| HA2 | CA2 | CB2 | SG2 | 51.6° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 172.3° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 69.2° | 60.0° |
| O2 | C2 | N3 | CA3 | 1.8° | 0.1° |
| O2 | C2 | N3 | HN3 | 178.2° | 179.9° |
| C2 | N3 | CA3 | HN3 | 180.0° | 179.9° |
| C2 | N3 | CA3 | C3 | 131.3° | 180.0° |
| C2 | N3 | CA3 | HA31 | 10.5° | 60.0° |
| C2 | N3 | CA3 | HA32 | 108.0° | 60.0° |
| SG2 | CB2 | HB21 | HB22 | 117.7° | 120.0° |
| HB21 | CB2 | SG2 | HSG | 59.3° | 60.0° |
| HB22 | CB2 | SG2 | HSG | 59.2° | 60.0° |
| N3 | CA3 | C3 | HA31 | 120.8° | 120.0° |
| N3 | CA3 | C3 | HA32 | 120.7° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 117.7° | 120.0° |
| N3 | CA3 | C3 | O31 | 16.0° | 0.1° |
| N3 | CA3 | C3 | O32 | 165.7° | 180.0° |
| HN3 | N3 | CA3 | C3 | 48.7° | 0.1° |
| HN3 | N3 | CA3 | HA31 | 169.5° | 120.1° |
| HN3 | N3 | CA3 | HA32 | 72.0° | 119.9° |
| C3 | CA3 | HA31 | HA32 | 117.7° | 120.0° |
| CA3 | C3 | O31 | O32 | 178.1° | 179.9° |
| CA3 | C3 | O32 | HO3 | 178.2° | 180.0° |
| HA31 | CA3 | C3 | O31 | 104.8° | 120.1° |
| HA31 | CA3 | C3 | O32 | 73.5° | 60.0° |
| HA32 | CA3 | C3 | O31 | 136.8° | 119.9° |
| HA32 | CA3 | C3 | O32 | 45.0° | 60.0° |
| O31 | C3 | O32 | HO3 | 0.0° | 0.1° |
