TS2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.49Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| CA1 | C1 | sing | 1.51Å | 1.54Å | |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.12Å | |
| C1 | OE1 | doub | 1.21Å | 1.25Å | |
| C1 | OE2 | sing | 1.34Å | 1.26Å | |
| OE2 | HO2 | sing | 0.97Å | 0.95Å | |
| CB1 | CG1 | sing | 1.53Å | 1.52Å | |
| CB1 | HB11 | sing | 1.09Å | 1.12Å | |
| CB1 | HB12 | sing | 1.09Å | 1.12Å | |
| CG1 | CD1 | sing | 1.51Å | 1.53Å | |
| CG1 | HG11 | sing | 1.09Å | 1.12Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CD1 | O1 | doub | 1.21Å | 1.24Å | |
| CD1 | N2 | sing | 1.35Å | 1.32Å | |
| N2 | CA2 | sing | 1.47Å | 1.45Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.53Å | |
| CA2 | CB2 | sing | 1.53Å | 1.52Å | |
| CA2 | HA2 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.25Å | |
| C2 | N3 | sing | 1.37Å | 1.34Å | |
| CB2 | SG2 | sing | 1.81Å | 1.82Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.12Å | |
| SG2 | SG5 | sing | 2.05Å | 2.05Å | |
| N3 | CA3 | sing | 1.48Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.50Å | |
| CA3 | HA31 | sing | 1.09Å | 1.12Å | |
| CA3 | HA32 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | doub | 1.21Å | 1.24Å | |
| C3 | N3' | sing | 1.36Å | 1.33Å | |
| N4 | CA4 | sing | 1.48Å | 1.46Å | |
| N4 | C5 | sing | 1.36Å | 1.34Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| CA4 | C4 | sing | 1.51Å | 1.53Å | |
| CA4 | HA41 | sing | 1.09Å | 1.11Å | |
| CA4 | HA42 | sing | 1.09Å | 1.11Å | |
| C4 | O4 | doub | 1.21Å | 1.23Å | |
| C4 | N1' | sing | 1.37Å | 1.35Å | |
| C5 | O5 | doub | 1.21Å | 1.24Å | |
| C5 | CA5 | sing | 1.51Å | 1.53Å | |
| CA5 | N5 | sing | 1.47Å | 1.49Å | |
| CA5 | CB5 | sing | 1.53Å | 1.53Å | |
| CA5 | HA5 | sing | 1.09Å | 1.11Å | |
| N5 | CD6 | sing | 1.35Å | 1.34Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| CB5 | SG5 | sing | 1.81Å | 1.82Å | |
| CB5 | HB51 | sing | 1.09Å | 1.12Å | |
| CB5 | HB52 | sing | 1.09Å | 1.11Å | |
| CA6 | C6 | sing | 1.51Å | 1.56Å | |
| CA6 | N6 | sing | 1.47Å | 1.51Å | |
| CA6 | CB6 | sing | 1.53Å | 1.54Å | |
| CA6 | HA6 | sing | 1.09Å | 1.11Å | |
| C6 | OE6 | doub | 1.21Å | 1.26Å | |
| C6 | OE7 | sing | 1.34Å | 1.27Å | |
| OE7 | HO7 | sing | 0.97Å | 0.95Å | |
| N6 | HN61 | sing | 1.01Å | 1.02Å | |
| N6 | HN62 | sing | 1.01Å | 1.02Å | |
| CB6 | CG6 | sing | 1.53Å | 1.53Å | |
| CB6 | HB61 | sing | 1.09Å | 1.11Å | |
| CB6 | HB62 | sing | 1.09Å | 1.11Å | |
| CG6 | CD6 | sing | 1.51Å | 1.53Å | |
| CG6 | HG61 | sing | 1.09Å | 1.12Å | |
| CG6 | HG62 | sing | 1.09Å | 1.12Å | |
| CD6 | O6 | doub | 1.21Å | 1.24Å | |
| N1' | C1' | sing | 1.48Å | 1.47Å | |
| N1' | HN1' | sing | 0.97Å | 1.02Å | |
| C1' | C2' | sing | 1.53Å | 1.59Å | |
| C1' | H1'1 | sing | 1.09Å | 1.11Å | |
| C1' | H1'2 | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.53Å | 1.56Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| N2' | C3' | sing | 1.47Å | 1.47Å | |
| N2' | C4' | sing | 1.47Å | 1.48Å | |
| N2' | HN2' | sing | 1.01Å | 1.02Å | |
| C3' | H3'1 | sing | 1.09Å | 1.11Å | |
| C3' | H3'2 | sing | 1.09Å | 1.11Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| C4' | H4'1 | sing | 1.09Å | 1.11Å | |
| C4' | H4'2 | sing | 1.09Å | 1.12Å | |
| C5' | C6' | sing | 1.53Å | 1.56Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C6' | C7' | sing | 1.53Å | 1.52Å | |
| C6' | H6'1 | sing | 1.09Å | 1.11Å | |
| C6' | H6'2 | sing | 1.09Å | 1.12Å | |
| C7' | N3' | sing | 1.48Å | 1.46Å | |
| C7' | H7'1 | sing | 1.09Å | 1.12Å | |
| C7' | H7'2 | sing | 1.09Å | 1.11Å | |
| N3' | HN3' | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | HN11 | 112.3° | 106.7° |
| CA1 | N1 | HN12 | 111.1° | 106.7° |
| N1 | CA1 | C1 | 112.3° | 109.5° |
| N1 | CA1 | CB1 | 109.4° | 109.5° |
| N1 | CA1 | HA1 | 108.3° | 109.4° |
| HN11 | N1 | HN12 | 111.2° | 106.8° |
| C1 | CA1 | CB1 | 111.4° | 109.5° |
| C1 | CA1 | HA1 | 106.1° | 109.4° |
| CA1 | C1 | OE1 | 117.6° | 119.9° |
| CA1 | C1 | OE2 | 119.5° | 120.0° |
| CB1 | CA1 | HA1 | 109.2° | 109.5° |
| CA1 | CB1 | CG1 | 115.2° | 109.5° |
| CA1 | CB1 | HB11 | 110.1° | 109.4° |
| CA1 | CB1 | HB12 | 110.1° | 109.4° |
| OE1 | C1 | OE2 | 122.8° | 120.0° |
| C1 | OE2 | HO2 | 119.6° | 120.0° |
| CG1 | CB1 | HB11 | 110.1° | 109.5° |
| CG1 | CB1 | HB12 | 110.1° | 109.5° |
| CB1 | CG1 | CD1 | 115.0° | 109.5° |
| CB1 | CG1 | HG11 | 110.2° | 109.4° |
| CB1 | CG1 | HG12 | 110.2° | 109.4° |
| HB11 | CB1 | HB12 | 100.1° | 109.4° |
| CD1 | CG1 | HG11 | 110.2° | 109.5° |
| CD1 | CG1 | HG12 | 110.2° | 109.5° |
| CG1 | CD1 | O1 | 123.4° | 120.0° |
| CG1 | CD1 | N2 | 114.1° | 120.0° |
| HG11 | CG1 | HG12 | 100.0° | 109.5° |
| O1 | CD1 | N2 | 122.6° | 120.1° |
| CD1 | N2 | CA2 | 122.4° | 119.9° |
| CD1 | N2 | HN2 | 114.1° | 120.0° |
| CA2 | N2 | HN2 | 123.5° | 120.0° |
| N2 | CA2 | C2 | 106.7° | 109.5° |
| N2 | CA2 | CB2 | 107.3° | 109.5° |
| N2 | CA2 | HA2 | 112.8° | 109.5° |
| C2 | CA2 | CB2 | 109.9° | 109.4° |
| C2 | CA2 | HA2 | 110.3° | 109.5° |
| CA2 | C2 | O2 | 121.0° | 120.6° |
| CA2 | C2 | N3 | 113.8° | 118.8° |
| CB2 | CA2 | HA2 | 109.7° | 109.4° |
| CA2 | CB2 | SG2 | 113.9° | 109.5° |
| CA2 | CB2 | HB21 | 110.6° | 109.5° |
| CA2 | CB2 | HB22 | 110.6° | 109.5° |
| O2 | C2 | N3 | 125.2° | 120.7° |
| C2 | N3 | CA3 | 126.6° | 115.4° |
| C2 | N3 | HN3 | 111.9° | 122.3° |
| SG2 | CB2 | HB21 | 110.6° | 109.4° |
| SG2 | CB2 | HB22 | 110.6° | 109.5° |
| CB2 | SG2 | SG5 | 102.5° | 100.0° |
| HB21 | CB2 | HB22 | 99.7° | 109.5° |
| SG2 | SG5 | CB5 | 106.4° | 100.0° |
| CA3 | N3 | HN3 | 121.5° | 122.3° |
| N3 | CA3 | C3 | 118.5° | 108.6° |
| N3 | CA3 | HA31 | 109.0° | 109.6° |
| N3 | CA3 | HA32 | 108.9° | 109.6° |
| C3 | CA3 | HA31 | 108.9° | 109.7° |
| C3 | CA3 | HA32 | 109.0° | 109.6° |
| CA3 | C3 | O3 | 121.1° | 120.4° |
| CA3 | C3 | N3' | 116.3° | 119.1° |
| HA31 | CA3 | HA32 | 101.1° | 109.7° |
| O3 | C3 | N3' | 122.6° | 120.5° |
| C3 | N3' | C7' | 122.6° | 116.6° |
| C3 | N3' | HN3' | 113.7° | 121.8° |
| CA4 | N4 | C5 | 124.5° | 116.5° |
| CA4 | N4 | HN4 | 122.6° | 121.7° |
| N4 | CA4 | C4 | 122.1° | 108.7° |
| N4 | CA4 | HA41 | 107.7° | 109.6° |
| N4 | CA4 | HA42 | 107.7° | 109.6° |
| C5 | N4 | HN4 | 112.9° | 121.8° |
| N4 | C5 | O5 | 124.0° | 120.5° |
| N4 | C5 | CA5 | 116.5° | 119.1° |
| C4 | CA4 | HA41 | 107.7° | 109.6° |
| C4 | CA4 | HA42 | 107.7° | 109.6° |
| CA4 | C4 | O4 | 117.7° | 120.5° |
| CA4 | C4 | N1' | 116.8° | 119.0° |
| HA41 | CA4 | HA42 | 102.2° | 109.8° |
| O4 | C4 | N1' | 125.4° | 120.5° |
| C4 | N1' | C1' | 129.0° | 115.3° |
| C4 | N1' | HN1' | 110.4° | 122.3° |
| O5 | C5 | CA5 | 119.5° | 120.4° |
| C5 | CA5 | N5 | 116.9° | 109.5° |
| C5 | CA5 | CB5 | 106.6° | 109.4° |
| C5 | CA5 | HA5 | 106.9° | 109.5° |
| N5 | CA5 | CB5 | 110.8° | 109.5° |
| N5 | CA5 | HA5 | 102.4° | 109.5° |
| CA5 | N5 | CD6 | 123.1° | 120.0° |
| CA5 | N5 | HN5 | 124.1° | 120.0° |
| CB5 | CA5 | HA5 | 113.4° | 109.5° |
| CA5 | CB5 | SG5 | 116.3° | 109.5° |
| CA5 | CB5 | HB51 | 109.8° | 109.5° |
| CA5 | CB5 | HB52 | 109.8° | 109.5° |
| CD6 | N5 | HN5 | 112.8° | 120.0° |
| N5 | CD6 | CG6 | 115.9° | 120.0° |
| N5 | CD6 | O6 | 123.2° | 120.0° |
| SG5 | CB5 | HB51 | 109.7° | 109.5° |
| SG5 | CB5 | HB52 | 109.7° | 109.5° |
| HB51 | CB5 | HB52 | 100.4° | 109.5° |
| C6 | CA6 | N6 | 112.2° | 109.4° |
| C6 | CA6 | CB6 | 113.4° | 109.6° |
| C6 | CA6 | HA6 | 105.5° | 109.5° |
| CA6 | C6 | OE6 | 115.4° | 120.0° |
| CA6 | C6 | OE7 | 122.2° | 120.0° |
| N6 | CA6 | CB6 | 111.8° | 109.5° |
| N6 | CA6 | HA6 | 107.3° | 109.4° |
| CA6 | N6 | HN61 | 112.2° | 106.7° |
| CA6 | N6 | HN62 | 111.2° | 106.7° |
| CB6 | CA6 | HA6 | 106.0° | 109.5° |
| CA6 | CB6 | CG6 | 115.5° | 109.6° |
| CA6 | CB6 | HB61 | 110.0° | 109.5° |
| CA6 | CB6 | HB62 | 110.0° | 109.5° |
| OE6 | C6 | OE7 | 122.4° | 120.0° |
| C6 | OE7 | HO7 | 122.2° | 119.9° |
| HN61 | N6 | HN62 | 111.2° | 106.6° |
| CG6 | CB6 | HB61 | 110.0° | 109.4° |
| CG6 | CB6 | HB62 | 110.0° | 109.5° |
| CB6 | CG6 | CD6 | 112.0° | 109.5° |
| CB6 | CG6 | HG61 | 111.3° | 109.4° |
| CB6 | CG6 | HG62 | 111.3° | 109.5° |
| HB61 | CB6 | HB62 | 100.3° | 109.4° |
| CD6 | CG6 | HG61 | 111.3° | 109.5° |
| CD6 | CG6 | HG62 | 111.3° | 109.5° |
| CG6 | CD6 | O6 | 120.8° | 119.9° |
| HG61 | CG6 | HG62 | 99.0° | 109.4° |
| C1' | N1' | HN1' | 120.6° | 122.4° |
| N1' | C1' | C2' | 116.3° | 108.7° |
| N1' | C1' | H1'1 | 109.8° | 109.6° |
| N1' | C1' | H1'2 | 109.7° | 109.6° |
| C2' | C1' | H1'1 | 109.7° | 109.6° |
| C2' | C1' | H1'2 | 109.7° | 109.6° |
| C1' | C2' | C3' | 114.4° | 109.4° |
| C1' | C2' | H2'1 | 110.4° | 109.5° |
| C1' | C2' | H2'2 | 110.4° | 109.5° |
| H1'1 | C1' | H1'2 | 100.4° | 109.7° |
| C3' | C2' | H2'1 | 110.4° | 109.5° |
| C3' | C2' | H2'2 | 110.4° | 109.4° |
| C2' | C3' | N2' | 126.0° | 109.5° |
| C2' | C3' | H3'1 | 106.4° | 109.5° |
| C2' | C3' | H3'2 | 106.4° | 109.5° |
| H2'1 | C2' | H2'2 | 99.9° | 109.5° |
| C3' | N2' | C4' | 103.6° | 106.7° |
| C3' | N2' | HN2' | 114.5° | 106.7° |
| N2' | C3' | H3'1 | 106.4° | 109.4° |
| N2' | C3' | H3'2 | 106.3° | 109.4° |
| C4' | N2' | HN2' | 114.4° | 106.7° |
| N2' | C4' | C5' | 117.5° | 109.4° |
| N2' | C4' | H4'1 | 109.3° | 109.4° |
| N2' | C4' | H4'2 | 109.3° | 109.5° |
| H3'1 | C3' | H3'2 | 103.2° | 109.5° |
| C5' | C4' | H4'1 | 109.3° | 109.4° |
| C5' | C4' | H4'2 | 109.3° | 109.5° |
| C4' | C5' | C6' | 113.9° | 109.5° |
| C4' | C5' | H5'1 | 110.6° | 109.4° |
| C4' | C5' | H5'2 | 110.6° | 109.4° |
| H4'1 | C4' | H4'2 | 100.8° | 109.5° |
| C6' | C5' | H5'1 | 110.5° | 109.5° |
| C6' | C5' | H5'2 | 110.6° | 109.5° |
| C5' | C6' | C7' | 111.1° | 109.4° |
| C5' | C6' | H6'1 | 111.6° | 109.5° |
| C5' | C6' | H6'2 | 111.6° | 109.5° |
| H5'1 | C5' | H5'2 | 99.7° | 109.5° |
| C7' | C6' | H6'1 | 111.6° | 109.5° |
| C7' | C6' | H6'2 | 111.6° | 109.5° |
| C6' | C7' | N3' | 114.0° | 108.9° |
| C6' | C7' | H7'1 | 110.5° | 109.6° |
| C6' | C7' | H7'2 | 110.6° | 109.6° |
| H6'1 | C6' | H6'2 | 98.7° | 109.5° |
| N3' | C7' | H7'1 | 110.5° | 109.5° |
| N3' | C7' | H7'2 | 110.6° | 109.5° |
| C7' | N3' | HN3' | 123.7° | 121.7° |
| H7'1 | C7' | H7'2 | 99.7° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | HN11 | HN12 | 125.2° | 113.8° |
| N1 | CA1 | C1 | CB1 | 123.2° | 120.0° |
| N1 | CA1 | C1 | HA1 | 118.1° | 119.9° |
| N1 | CA1 | CB1 | HA1 | 118.3° | 120.0° |
| N1 | CA1 | C1 | OE1 | 5.1° | 30.1° |
| N1 | CA1 | C1 | OE2 | 177.0° | 150.0° |
| N1 | CA1 | CB1 | CG1 | 88.0° | 60.0° |
| N1 | CA1 | CB1 | HB11 | 146.7° | 60.0° |
| N1 | CA1 | CB1 | HB12 | 37.3° | 179.9° |
| HN11 | N1 | CA1 | C1 | 180.0° | 173.9° |
| HN11 | N1 | CA1 | CB1 | 55.7° | 53.8° |
| HN11 | N1 | CA1 | HA1 | 63.2° | 66.2° |
| HN12 | N1 | CA1 | C1 | 54.7° | 60.0° |
| HN12 | N1 | CA1 | CB1 | 69.5° | 60.1° |
| HN12 | N1 | CA1 | HA1 | 171.6° | 179.9° |
| C1 | CA1 | CB1 | HA1 | 116.9° | 120.0° |
| CA1 | C1 | OE1 | OE2 | 177.8° | 179.9° |
| CA1 | C1 | OE2 | HO2 | 180.0° | 179.9° |
| C1 | CA1 | CB1 | CG1 | 36.8° | 180.0° |
| C1 | CA1 | CB1 | HB11 | 88.5° | 60.0° |
| C1 | CA1 | CB1 | HB12 | 162.1° | 59.9° |
| CB1 | CA1 | C1 | OE1 | 128.3° | 89.9° |
| CB1 | CA1 | C1 | OE2 | 53.9° | 89.9° |
| CA1 | CB1 | CG1 | HB11 | 125.3° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 125.3° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 116.0° | 119.9° |
| CA1 | CB1 | CG1 | CD1 | 63.7° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 61.6° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 171.0° | 60.0° |
| HA1 | CA1 | C1 | OE1 | 113.0° | 150.0° |
| HA1 | CA1 | C1 | OE2 | 64.9° | 30.1° |
| HA1 | CA1 | CB1 | CG1 | 153.7° | 60.0° |
| HA1 | CA1 | CB1 | HB11 | 28.4° | 180.0° |
| HA1 | CA1 | CB1 | HB12 | 81.0° | 60.1° |
| OE1 | C1 | OE2 | HO2 | 2.3° | 0.0° |
| CG1 | CB1 | HB11 | HB12 | 115.9° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 125.3° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 125.3° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 116.0° | 119.9° |
| CB1 | CG1 | CD1 | O1 | 41.3° | 0.0° |
| CB1 | CG1 | CD1 | N2 | 138.7° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 171.0° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 63.7° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 45.7° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 61.6° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 173.1° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 63.7° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 116.0° | 120.1° |
| CG1 | CD1 | O1 | N2 | 180.0° | 180.0° |
| CG1 | CD1 | N2 | CA2 | 178.0° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 2.0° | 0.1° |
| HG11 | CG1 | CD1 | O1 | 84.0° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 96.0° | 60.0° |
| HG12 | CG1 | CD1 | O1 | 166.6° | 119.9° |
| HG12 | CG1 | CD1 | N2 | 13.4° | 60.0° |
| O1 | CD1 | N2 | CA2 | 2.0° | 0.0° |
| O1 | CD1 | N2 | HN2 | 178.0° | 179.9° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 179.9° |
| CD1 | N2 | CA2 | C2 | 154.3° | 90.0° |
| CD1 | N2 | CA2 | CB2 | 88.0° | 150.0° |
| CD1 | N2 | CA2 | HA2 | 33.0° | 30.1° |
| N2 | CA2 | C2 | CB2 | 116.0° | 120.0° |
| N2 | CA2 | C2 | HA2 | 122.9° | 120.1° |
| N2 | CA2 | CB2 | HA2 | 122.9° | 120.0° |
| N2 | CA2 | C2 | O2 | 133.2° | 119.2° |
| N2 | CA2 | C2 | N3 | 46.4° | 60.8° |
| N2 | CA2 | CB2 | SG2 | 142.7° | 98.6° |
| N2 | CA2 | CB2 | HB21 | 92.0° | 21.4° |
| N2 | CA2 | CB2 | HB22 | 17.4° | 141.4° |
| HN2 | N2 | CA2 | C2 | 25.7° | 89.9° |
| HN2 | N2 | CA2 | CB2 | 92.0° | 30.0° |
| HN2 | N2 | CA2 | HA2 | 147.0° | 150.0° |
| C2 | CA2 | CB2 | HA2 | 121.5° | 120.0° |
| CA2 | C2 | O2 | N3 | 179.5° | 180.0° |
| C2 | CA2 | CB2 | SG2 | 27.1° | 141.4° |
| C2 | CA2 | CB2 | HB21 | 152.4° | 98.6° |
| C2 | CA2 | CB2 | HB22 | 98.2° | 21.4° |
| CA2 | C2 | N3 | CA3 | 179.7° | 180.0° |
| CA2 | C2 | N3 | HN3 | 0.3° | 0.1° |
| CB2 | CA2 | C2 | O2 | 110.8° | 0.7° |
| CB2 | CA2 | C2 | N3 | 69.6° | 179.2° |
| CA2 | CB2 | SG2 | HB21 | 125.3° | 120.0° |
| CA2 | CB2 | SG2 | HB22 | 125.2° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 116.4° | 120.0° |
| CA2 | CB2 | SG2 | SG5 | 119.5° | 145.1° |
| HA2 | CA2 | C2 | O2 | 10.3° | 120.7° |
| HA2 | CA2 | C2 | N3 | 169.3° | 59.3° |
| HA2 | CA2 | CB2 | SG2 | 94.4° | 21.4° |
| HA2 | CA2 | CB2 | HB21 | 30.9° | 141.4° |
| HA2 | CA2 | CB2 | HB22 | 140.4° | 98.6° |
| O2 | C2 | N3 | CA3 | 0.7° | 0.1° |
| O2 | C2 | N3 | HN3 | 179.3° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 179.9° |
| C2 | N3 | CA3 | C3 | 10.5° | 112.9° |
| C2 | N3 | CA3 | HA31 | 114.8° | 127.3° |
| C2 | N3 | CA3 | HA32 | 135.8° | 6.8° |
| SG2 | CB2 | HB21 | HB22 | 116.4° | 120.0° |
| CB2 | SG2 | SG5 | CB5 | 119.7° | 152.2° |
| HB21 | CB2 | SG2 | SG5 | 5.8° | 94.9° |
| HB22 | CB2 | SG2 | SG5 | 115.2° | 25.1° |
| SG2 | SG5 | CB5 | CA5 | 95.3° | 152.6° |
| SG2 | SG5 | CB5 | HB51 | 30.0° | 32.6° |
| SG2 | SG5 | CB5 | HB52 | 139.4° | 87.4° |
| N3 | CA3 | C3 | HA31 | 125.3° | 119.8° |
| N3 | CA3 | C3 | HA32 | 125.3° | 119.7° |
| N3 | CA3 | HA31 | HA32 | 114.7° | 120.4° |
| N3 | CA3 | C3 | O3 | 103.2° | 39.7° |
| N3 | CA3 | C3 | N3' | 76.3° | 140.4° |
| HN3 | N3 | CA3 | C3 | 169.5° | 67.2° |
| HN3 | N3 | CA3 | HA31 | 65.2° | 52.6° |
| HN3 | N3 | CA3 | HA32 | 44.2° | 173.1° |
| C3 | CA3 | HA31 | HA32 | 114.7° | 120.4° |
| CA3 | C3 | O3 | N3' | 179.6° | 179.9° |
| CA3 | C3 | N3' | C7' | 179.8° | 179.8° |
| CA3 | C3 | N3' | HN3' | 0.1° | 0.2° |
| HA31 | CA3 | C3 | O3 | 22.1° | 80.1° |
| HA31 | CA3 | C3 | N3' | 158.4° | 99.8° |
| HA32 | CA3 | C3 | O3 | 131.5° | 159.4° |
| HA32 | CA3 | C3 | N3' | 48.9° | 20.7° |
| O3 | C3 | N3' | C7' | 0.6° | 0.1° |
| O3 | C3 | N3' | HN3' | 179.4° | 179.9° |
| C3 | N3' | C7' | C6' | 179.9° | 147.0° |
| C3 | N3' | C7' | HN3' | 179.9° | 180.0° |
| C3 | N3' | C7' | H7'1 | 54.7° | 27.1° |
| C3 | N3' | C7' | H7'2 | 54.8° | 93.2° |
| CA4 | N4 | C5 | HN4 | 180.0° | 180.0° |
| N4 | CA4 | C4 | HA41 | 125.2° | 119.8° |
| N4 | CA4 | C4 | HA42 | 125.2° | 119.7° |
| N4 | CA4 | HA41 | HA42 | 113.3° | 120.4° |
| N4 | CA4 | C4 | O4 | 123.0° | 1.2° |
| N4 | CA4 | C4 | N1' | 55.8° | 178.8° |
| CA4 | N4 | C5 | O5 | 1.3° | 0.5° |
| CA4 | N4 | C5 | CA5 | 179.7° | 179.6° |
| C5 | N4 | CA4 | C4 | 142.7° | 88.1° |
| C5 | N4 | CA4 | HA41 | 92.0° | 31.6° |
| C5 | N4 | CA4 | HA42 | 17.5° | 152.1° |
| N4 | C5 | O5 | CA5 | 178.4° | 179.9° |
| N4 | C5 | CA5 | N5 | 4.1° | 55.6° |
| N4 | C5 | CA5 | CB5 | 120.4° | 175.6° |
| N4 | C5 | CA5 | HA5 | 117.9° | 64.4° |
| HN4 | N4 | CA4 | C4 | 37.2° | 91.9° |
| HN4 | N4 | CA4 | HA41 | 88.0° | 148.3° |
| HN4 | N4 | CA4 | HA42 | 162.5° | 27.8° |
| HN4 | N4 | C5 | O5 | 178.7° | 179.5° |
| HN4 | N4 | C5 | CA5 | 0.3° | 0.5° |
| C4 | CA4 | HA41 | HA42 | 113.3° | 120.4° |
| CA4 | C4 | O4 | N1' | 178.6° | 180.0° |
| CA4 | C4 | N1' | C1' | 179.6° | 179.8° |
| CA4 | C4 | N1' | HN1' | 0.4° | 0.2° |
| HA41 | CA4 | C4 | O4 | 111.8° | 118.5° |
| HA41 | CA4 | C4 | N1' | 69.5° | 61.4° |
| HA42 | CA4 | C4 | O4 | 2.3° | 121.0° |
| HA42 | CA4 | C4 | N1' | 179.0° | 59.1° |
| O4 | C4 | N1' | C1' | 1.8° | 0.2° |
| O4 | C4 | N1' | HN1' | 178.2° | 179.8° |
| C4 | N1' | C1' | HN1' | 180.0° | 180.0° |
| C4 | N1' | C1' | C2' | 177.8° | 146.4° |
| C4 | N1' | C1' | H1'1 | 56.8° | 93.9° |
| C4 | N1' | C1' | H1'2 | 52.6° | 26.6° |
| O5 | C5 | CA5 | N5 | 177.5° | 124.3° |
| O5 | C5 | CA5 | CB5 | 58.0° | 4.3° |
| O5 | C5 | CA5 | HA5 | 63.6° | 115.7° |
| C5 | CA5 | N5 | CB5 | 122.4° | 120.0° |
| C5 | CA5 | N5 | HA5 | 116.4° | 120.0° |
| C5 | CA5 | CB5 | HA5 | 117.4° | 120.0° |
| C5 | CA5 | N5 | CD6 | 74.3° | 90.0° |
| C5 | CA5 | N5 | HN5 | 105.7° | 89.9° |
| C5 | CA5 | CB5 | SG5 | 169.9° | 115.6° |
| C5 | CA5 | CB5 | HB51 | 64.9° | 4.4° |
| C5 | CA5 | CB5 | HB52 | 44.6° | 124.4° |
| N5 | CA5 | CB5 | HA5 | 114.4° | 120.0° |
| CA5 | N5 | CD6 | HN5 | 180.0° | 179.9° |
| N5 | CA5 | CB5 | SG5 | 62.0° | 124.4° |
| N5 | CA5 | CB5 | HB51 | 63.3° | 115.6° |
| N5 | CA5 | CB5 | HB52 | 172.7° | 4.4° |
| CA5 | N5 | CD6 | CG6 | 178.7° | 180.0° |
| CA5 | N5 | CD6 | O6 | 1.9° | 0.0° |
| CB5 | CA5 | N5 | CD6 | 163.3° | 150.0° |
| CB5 | CA5 | N5 | HN5 | 16.7° | 30.0° |
| CA5 | CB5 | SG5 | HB51 | 125.3° | 120.0° |
| CA5 | CB5 | SG5 | HB52 | 125.3° | 120.0° |
| CA5 | CB5 | HB51 | HB52 | 115.6° | 120.0° |
| HA5 | CA5 | N5 | CD6 | 42.1° | 30.0° |
| HA5 | CA5 | N5 | HN5 | 137.9° | 150.0° |
| HA5 | CA5 | CB5 | SG5 | 52.5° | 4.4° |
| HA5 | CA5 | CB5 | HB51 | 177.7° | 124.4° |
| HA5 | CA5 | CB5 | HB52 | 72.8° | 115.6° |
| N5 | CD6 | CG6 | CB6 | 170.6° | 180.0° |
| N5 | CD6 | CG6 | O6 | 179.5° | 179.9° |
| N5 | CD6 | CG6 | HG61 | 64.1° | 60.0° |
| N5 | CD6 | CG6 | HG62 | 45.3° | 60.0° |
| HN5 | N5 | CD6 | CG6 | 1.3° | 0.1° |
| HN5 | N5 | CD6 | O6 | 178.1° | 179.9° |
| SG5 | CB5 | HB51 | HB52 | 115.5° | 120.0° |
| C6 | CA6 | N6 | CB6 | 128.7° | 120.1° |
| C6 | CA6 | N6 | HA6 | 115.5° | 119.9° |
| C6 | CA6 | CB6 | HA6 | 115.3° | 120.1° |
| CA6 | C6 | OE6 | OE7 | 178.8° | 179.8° |
| CA6 | C6 | OE7 | HO7 | 180.0° | 179.9° |
| C6 | CA6 | N6 | HN61 | 180.0° | 60.1° |
| C6 | CA6 | N6 | HN62 | 54.7° | 173.8° |
| C6 | CA6 | CB6 | CG6 | 63.1° | 180.0° |
| C6 | CA6 | CB6 | HB61 | 62.2° | 60.0° |
| C6 | CA6 | CB6 | HB62 | 171.7° | 59.9° |
| N6 | CA6 | CB6 | HA6 | 116.6° | 119.9° |
| N6 | CA6 | C6 | OE6 | 60.1° | 30.1° |
| N6 | CA6 | C6 | OE7 | 118.7° | 150.0° |
| CA6 | N6 | HN61 | HN62 | 125.3° | 113.7° |
| N6 | CA6 | CB6 | CG6 | 65.0° | 60.0° |
| N6 | CA6 | CB6 | HB61 | 169.8° | 180.0° |
| N6 | CA6 | CB6 | HB62 | 60.2° | 60.0° |
| CB6 | CA6 | C6 | OE6 | 172.0° | 89.9° |
| CB6 | CA6 | C6 | OE7 | 9.1° | 90.0° |
| CB6 | CA6 | N6 | HN61 | 51.3° | 60.0° |
| CB6 | CA6 | N6 | HN62 | 74.0° | 53.8° |
| CA6 | CB6 | CG6 | HB61 | 125.3° | 120.0° |
| CA6 | CB6 | CG6 | HB62 | 125.2° | 120.1° |
| CA6 | CB6 | HB61 | HB62 | 115.8° | 120.0° |
| CA6 | CB6 | CG6 | CD6 | 112.9° | 180.0° |
| CA6 | CB6 | CG6 | HG61 | 121.8° | 60.0° |
| CA6 | CB6 | CG6 | HG62 | 12.4° | 59.9° |
| HA6 | CA6 | C6 | OE6 | 56.4° | 150.0° |
| HA6 | CA6 | C6 | OE7 | 124.8° | 30.2° |
| HA6 | CA6 | N6 | HN61 | 64.5° | 180.0° |
| HA6 | CA6 | N6 | HN62 | 170.2° | 66.2° |
| HA6 | CA6 | CB6 | CG6 | 178.4° | 59.9° |
| HA6 | CA6 | CB6 | HB61 | 53.1° | 60.1° |
| HA6 | CA6 | CB6 | HB62 | 56.4° | 179.9° |
| OE6 | C6 | OE7 | HO7 | 1.2° | 0.1° |
| CG6 | CB6 | HB61 | HB62 | 115.8° | 119.9° |
| CB6 | CG6 | CD6 | HG61 | 125.3° | 120.0° |
| CB6 | CG6 | CD6 | HG62 | 125.3° | 120.0° |
| CB6 | CG6 | HG61 | HG62 | 117.2° | 119.9° |
| CB6 | CG6 | CD6 | O6 | 8.9° | 0.0° |
| HB61 | CB6 | CG6 | CD6 | 12.3° | 60.0° |
| HB61 | CB6 | CG6 | HG61 | 113.0° | 180.0° |
| HB61 | CB6 | CG6 | HG62 | 137.6° | 60.1° |
| HB62 | CB6 | CG6 | CD6 | 121.9° | 60.0° |
| HB62 | CB6 | CG6 | HG61 | 3.5° | 60.1° |
| HB62 | CB6 | CG6 | HG62 | 112.9° | 180.0° |
| CD6 | CG6 | HG61 | HG62 | 117.2° | 120.0° |
| HG61 | CG6 | CD6 | O6 | 116.4° | 120.0° |
| HG62 | CG6 | CD6 | O6 | 134.2° | 120.1° |
| N1' | C1' | C2' | H1'1 | 125.3° | 119.8° |
| N1' | C1' | C2' | H1'2 | 125.2° | 119.7° |
| N1' | C1' | H1'1 | H1'2 | 115.5° | 120.4° |
| N1' | C1' | C2' | C3' | 65.2° | 140.2° |
| N1' | C1' | C2' | H2'1 | 60.1° | 99.8° |
| N1' | C1' | C2' | H2'2 | 169.6° | 20.3° |
| HN1' | N1' | C1' | C2' | 2.1° | 33.6° |
| HN1' | N1' | C1' | H1'1 | 123.2° | 86.1° |
| HN1' | N1' | C1' | H1'2 | 127.3° | 153.4° |
| C2' | C1' | H1'1 | H1'2 | 115.5° | 120.4° |
| C1' | C2' | C3' | H2'1 | 125.3° | 120.0° |
| C1' | C2' | C3' | H2'2 | 125.3° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 116.3° | 120.0° |
| C1' | C2' | C3' | N2' | 67.9° | 115.0° |
| C1' | C2' | C3' | H3'1 | 57.3° | 125.0° |
| C1' | C2' | C3' | H3'2 | 166.9° | 5.0° |
| H1'1 | C1' | C2' | C3' | 169.5° | 20.4° |
| H1'1 | C1' | C2' | H2'1 | 65.3° | 140.4° |
| H1'1 | C1' | C2' | H2'2 | 44.3° | 99.5° |
| H1'2 | C1' | C2' | C3' | 60.0° | 100.1° |
| H1'2 | C1' | C2' | H2'1 | 174.7° | 19.9° |
| H1'2 | C1' | C2' | H2'2 | 65.2° | 140.0° |
| C3' | C2' | H2'1 | H2'2 | 116.2° | 120.0° |
| C2' | C3' | N2' | H3'1 | 125.3° | 120.0° |
| C2' | C3' | N2' | H3'2 | 125.2° | 120.0° |
| C2' | C3' | N2' | C4' | 104.2° | 45.6° |
| C2' | C3' | N2' | HN2' | 130.6° | 68.2° |
| C2' | C3' | H3'1 | H3'2 | 111.8° | 120.1° |
| H2'1 | C2' | C3' | N2' | 166.8° | 5.0° |
| H2'1 | C2' | C3' | H3'1 | 68.0° | 115.0° |
| H2'1 | C2' | C3' | H3'2 | 41.6° | 125.0° |
| H2'2 | C2' | C3' | N2' | 57.3° | 125.0° |
| H2'2 | C2' | C3' | H3'1 | 177.4° | 5.0° |
| H2'2 | C2' | C3' | H3'2 | 67.9° | 115.0° |
| C3' | N2' | C4' | HN2' | 125.3° | 113.8° |
| N2' | C3' | H3'1 | H3'2 | 111.7° | 119.9° |
| C3' | N2' | C4' | C5' | 94.4° | 141.3° |
| C3' | N2' | C4' | H4'1 | 30.9° | 98.8° |
| C3' | N2' | C4' | H4'2 | 140.3° | 21.2° |
| C4' | N2' | C3' | H3'1 | 130.5° | 165.6° |
| C4' | N2' | C3' | H3'2 | 21.0° | 74.4° |
| N2' | C4' | C5' | H4'1 | 125.3° | 119.9° |
| N2' | C4' | C5' | H4'2 | 125.3° | 120.0° |
| N2' | C4' | H4'1 | H4'2 | 115.1° | 120.0° |
| N2' | C4' | C5' | C6' | 83.6° | 158.9° |
| N2' | C4' | C5' | H5'1 | 41.7° | 81.1° |
| N2' | C4' | C5' | H5'2 | 151.2° | 38.9° |
| HN2' | N2' | C3' | H3'1 | 5.3° | 51.8° |
| HN2' | N2' | C3' | H3'2 | 104.2° | 171.8° |
| HN2' | N2' | C4' | C5' | 30.9° | 27.5° |
| HN2' | N2' | C4' | H4'1 | 156.1° | 147.4° |
| HN2' | N2' | C4' | H4'2 | 94.4° | 92.5° |
| C5' | C4' | H4'1 | H4'2 | 115.1° | 120.1° |
| C4' | C5' | C6' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | C6' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 116.5° | 120.0° |
| C4' | C5' | C6' | C7' | 49.9° | 156.1° |
| C4' | C5' | C6' | H6'1 | 175.2° | 83.9° |
| C4' | C5' | C6' | H6'2 | 75.3° | 36.2° |
| H4'1 | C4' | C5' | C6' | 151.2° | 39.0° |
| H4'1 | C4' | C5' | H5'1 | 83.6° | 159.0° |
| H4'1 | C4' | C5' | H5'2 | 25.9° | 81.0° |
| H4'2 | C4' | C5' | C6' | 41.7° | 81.0° |
| H4'2 | C4' | C5' | H5'1 | 166.9° | 38.9° |
| H4'2 | C4' | C5' | H5'2 | 83.6° | 158.9° |
| C6' | C5' | H5'1 | H5'2 | 116.4° | 120.0° |
| C5' | C6' | C7' | H6'1 | 125.3° | 120.0° |
| C5' | C6' | C7' | H6'2 | 125.3° | 120.0° |
| C5' | C6' | H6'1 | H6'2 | 117.5° | 120.0° |
| C5' | C6' | C7' | N3' | 120.7° | 154.5° |
| C5' | C6' | C7' | H7'1 | 114.0° | 34.7° |
| C5' | C6' | C7' | H7'2 | 4.6° | 85.7° |
| H5'1 | C5' | C6' | C7' | 75.4° | 36.2° |
| H5'1 | C5' | C6' | H6'1 | 49.9° | 156.2° |
| H5'1 | C5' | C6' | H6'2 | 159.4° | 83.8° |
| H5'2 | C5' | C6' | C7' | 175.2° | 83.9° |
| H5'2 | C5' | C6' | H6'1 | 59.5° | 36.1° |
| H5'2 | C5' | C6' | H6'2 | 49.9° | 156.1° |
| C7' | C6' | H6'1 | H6'2 | 117.5° | 120.0° |
| C6' | C7' | N3' | H7'1 | 125.2° | 119.9° |
| C6' | C7' | N3' | H7'2 | 125.3° | 119.8° |
| C6' | C7' | H7'1 | H7'2 | 116.4° | 120.3° |
| C6' | C7' | N3' | HN3' | 0.0° | 33.0° |
| H6'1 | C6' | C7' | N3' | 4.5° | 85.5° |
| H6'1 | C6' | C7' | H7'1 | 120.7° | 154.7° |
| H6'1 | C6' | C7' | H7'2 | 129.8° | 34.3° |
| H6'2 | C6' | C7' | N3' | 114.0° | 34.5° |
| H6'2 | C6' | C7' | H7'1 | 11.3° | 85.3° |
| H6'2 | C6' | C7' | H7'2 | 120.7° | 154.3° |
| N3' | C7' | H7'1 | H7'2 | 116.4° | 120.2° |
| H7'1 | C7' | N3' | HN3' | 125.3° | 152.9° |
| H7'2 | C7' | N3' | HN3' | 125.3° | 86.8° |
